| 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 | 35.5 | Very low | 35.9 | Very low | 246 Ų | 246 | 131 Ų | 131 | 100% | 1.212 | 80% | 0.799 | S | S | * | * | 0 | 125.1 | 0 | -74 | 163.1 | 167.9 | 0 | 0 | 107 | |||||
| 2 | G | 38.5 | Very low | 35.2 | Very low | 72 Ų | 72 | 135 Ų | 135 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | -83.8 | -165.8 | 160 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 3 | P | 55.4 | Low | 34.6 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 68% | 0.682 | 82% | 0.815 | S | S | * | * | cis | -121.1 | 159.8 | 15.4 | 37.1 | -19.4 | 0 | 0 | 0 | 113.9 | ||||
| 4 | E | 35.6 | Very low | 34 | Very low | 176 Ų | 176 | 150.4 Ų | 150.4 | 82% | 0.822 | 83% | 0.826 | S | S | * | * | 62.5 | 143 | 104.3 | -51.4 | 172.9 | 138 | 0 | 0 | 114.7 | |||||
| 5 | L | 31.2 | Very low | 33.6 | Very low | 132 Ų | 132 | 146.5 Ų | 146.5 | 69% | 0.691 | 82% | 0.821 | S | S | * | * | cis | -154.7 | 152.1 | 47.1 | -104.7 | 88.8 | 0 | 0 | 0 | 113.9 | ||||
| 6 | E | 29.1 | Very low | 35.2 | Very low | 169 Ų | 169 | 144.8 Ų | 144.8 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | 49.4 | 168.6 | 138 | -63.5 | -176.2 | 169.9 | 0 | 0 | 123.5 | ||||
| 7 | S | 28.5 | Very low | 35.9 | Very low | 89 Ų | 89 | 143.2 Ų | 143.2 | 62% | 0.622 | 82% | 0.815 | S | S | * | * | -177.4 | 127.4 | -65.9 | 52.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 8 | V | 27.4 | Very low | 35.6 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | 36 | 149.5 | 128.4 | -172.9 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 9 | P | 54.8 | Low | 35.4 | Very low | 118 Ų | 118 | 146.6 Ų | 146.6 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | cis | -135.2 | -170.8 | -21.6 | 37.4 | -17.2 | 0 | 0 | 0 | 115.1 | ||||
| 10 | A | 28.5 | Very low | 34.9 | Very low | 102 Ų | 102 | 142.7 Ų | 142.7 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | 139.7 | 136.9 | 121.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 11 | A | 30.5 | Very low | 34.5 | Very low | 96 Ų | 96 | 144.2 Ų | 144.2 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | trans | -75.2 | 162.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 12 | L | 27.6 | Very low | 34.3 | Very low | 179 Ų | 179 | 138.6 Ų | 138.6 | 94% | 0.937 | 79% | 0.792 | S | S | * | * | trans | -147.6 | 136.7 | 145.4 | -124.8 | 137.2 | 0 | 0 | 0 | 113.4 | ||||
| 13 | R | 26.8 | Very low | 34 | Very low | 232 Ų | 232 | 138.8 Ų | 138.8 | 88% | 0.875 | 79% | 0.786 | S | S | * | * | trans | -78.1 | 153.8 | -177.1 | -62.1 | 169.4 | 171.4 | 172 | -4.5 | 112 | ||||
| 14 | R | 26.1 | Very low | 32.7 | Very low | 254 Ų | 254 | 140.9 Ų | 140.9 | 96% | 0.958 | 79% | 0.791 | S | S | * | * | trans | -153.3 | 139.4 | 131.9 | -111.4 | 167.8 | -170.7 | 179.9 | 3 | 111.7 | ||||
| 15 | A | 29.3 | Very low | 32.4 | Very low | 91 Ų | 91 | 143.4 Ų | 143.4 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | -129.3 | 175.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 16 | P | 59.1 | Low | 32.2 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -99.8 | -175.7 | -140.9 | 40.3 | -40 | 0 | 0 | 0 | 115.1 | ||||
| 17 | P | 45.9 | Very low | 32.2 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | -134.6 | 166.3 | 120.7 | 24.2 | -6.1 | 0 | 0 | 0 | 111.9 | |||||
| 18 | S | 30.6 | Very low | 32.1 | Very low | 95 Ų | 95 | 142.6 Ų | 142.6 | 66% | 0.664 | 80% | 0.803 | S | S | * | * | cis | 142.6 | 142.3 | -14.9 | 71.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 19 | R | 31.6 | Very low | 32.1 | Very low | 255 Ų | 255 | 148.1 Ų | 148.1 | 96% | 0.962 | 81% | 0.809 | S | S | * | * | trans | 79.6 | 140.9 | 174.2 | -58.4 | 175.4 | 159.3 | 173.2 | -6.5 | 116.4 | ||||
| 20 | G | 26.1 | Very low | 30.7 | Very low | 69 Ų | 69 | 149.4 Ų | 149.4 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | cis | -153.5 | 148.1 | -6.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 21 | M | 27.5 | Very low | 30.8 | Very low | 175 Ų | 175 | 148.6 Ų | 148.6 | 86% | 0.862 | 80% | 0.798 | S | S | * | * | 89.3 | 138 | 61.4 | -129.4 | -172.4 | 92.2 | 0 | 0 | 113.7 | |||||
| 22 | T | 30.9 | Very low | 30.7 | Very low | 128 Ų | 128 | 150.7 Ų | 150.7 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 80.4 | 138.6 | 175.4 | 72.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 23 | A | 30.7 | Very low | 30.7 | Very low | 75 Ų | 75 | 148.3 Ų | 148.3 | 62% | 0.62 | 78% | 0.782 | S | S | * | * | cis | -173.2 | 150.3 | -6.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 24 | L | 29.8 | Very low | 30.8 | Very low | 149 Ų | 149 | 144.5 Ų | 144.5 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | trans | 65.2 | 147.3 | 143.6 | -61.3 | 167.5 | 0 | 0 | 0 | 119.2 | ||||
| 25 | W | 28.4 | Very low | 31.4 | Very low | 229 Ų | 229 | 137 Ų | 137 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | cis | -133.8 | 157.3 | -1.9 | -78.2 | -32.5 | 0 | 0 | 0 | 108.9 | ||||
| 26 | C | 26.3 | Very low | 31.4 | Very low | 117 Ų | 117 | 140 Ų | 140 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | cis | 81.5 | 88.9 | 28.6 | -76.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 27 | S | 29.4 | Very low | 29.9 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | -178.6 | 115.7 | 134.4 | 51.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 28 | L | 26.9 | Very low | 29.1 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | 54.8 | 131.2 | 80.1 | -73.5 | 158 | 0 | 0 | 0 | 112.1 | |||||
| 29 | W | 26.6 | Very low | 28.9 | Very low | 252 Ų | 252 | 140.5 Ų | 140.5 | 96% | 0.955 | 77% | 0.767 | S | S | * | * | -135.8 | 133.9 | 58.3 | -83.1 | 33.2 | 0 | 0 | 0 | 116 | |||||
| 30 | L | 26.7 | Very low | 29.3 | Very low | 145 Ų | 145 | 134.2 Ų | 134.2 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | -87.8 | 164.8 | 135.9 | -89.1 | 126.3 | 0 | 0 | 0 | 106.4 | ||||
| 31 | S | 29.3 | Very low | 29.4 | Very low | 86 Ų | 86 | 135.9 Ų | 135.9 | 60% | 0.601 | 77% | 0.767 | S | S | * | * | cis | -171 | -179.4 | 15.5 | 24.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 32 | L | 28.8 | Very low | 29.4 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | 175.4 | 130.4 | 80.6 | -135.2 | 77.7 | 0 | 0 | 0 | 110.1 | |||||
| 33 | L | 27.6 | Very low | 29.2 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | 52.6 | 118.8 | 128 | -61.6 | -179.1 | 0 | 0 | 0 | 120.9 | |||||
| 34 | L | 29 | Very low | 29.2 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | 80.1 | 169.8 | 74.1 | -83.1 | -160.5 | 0 | 0 | 0 | 113.8 | |||||
| 35 | P | 39.5 | Very low | 29.2 | Very low | 96 Ų | 96 | 143.4 Ų | 143.4 | 62% | 0.623 | 79% | 0.789 | S | S | * | * | cis | -132.5 | 176.1 | -5.6 | 20.9 | 4.8 | 0 | 0 | 0 | 115.5 | ||||
| 36 | L | 29.4 | Very low | 29.1 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | 135.4 | 161.2 | 120.8 | -68.8 | 178.9 | 0 | 0 | 0 | 107.5 | |||||
| 37 | C | 26.8 | Very low | 29.1 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | cis | -167.7 | 158.7 | -23.7 | -110.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 38 | V | 28.7 | Very low | 29.2 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | cis | -156.1 | 167.6 | -11.7 | 91.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 39 | S | 26.3 | Very low | 29.2 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -84.1 | -161.4 | -178.8 | -23 | 0 | 0 | 0 | 0 | 113 | ||||
| 40 | P | 40.8 | Very low | 29.2 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | -127.7 | 174 | -52 | 36 | -21.1 | 0 | 0 | 0 | 112.3 | |||||
| 41 | A | 27.7 | Very low | 29.2 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -166.6 | 155.4 | 146.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 42 | R | 28.4 | Very low | 29.2 | Very low | 243 Ų | 243 | 137.1 Ų | 137.1 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 152.2 | -179.4 | -67.2 | 169.9 | 170.9 | 174 | -5 | 113.3 | ||
| 43 | L | 27.4 | Very low | 29.1 | Very low | 171 Ų | 171 | 136.3 Ų | 136.3 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 140.3 | 158.9 | -84.3 | 79.1 | 0 | 0 | 0 | 111.4 | ||
| 44 | P | 29.2 | Very low | 29.4 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 157.4 | 153.3 | 34.9 | -26.5 | 0 | 0 | 0 | 112.2 | ||
| 45 | T | 30.1 | Very low | 29.5 | Very low | 151 Ų | 151 | 137 Ų | 137 | 93% | 0.926 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 133.7 | 172.9 | 16.1 | 0 | 0 | 0 | 0 | 112.6 | ||
| 46 | A | 25.9 | Very low | 29.3 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | -160.6 | 152.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 47 | Q | 27.5 | Very low | 29.8 | Very low | 180 Ų | 180 | 133.8 Ų | 133.8 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 153.3 | 179.7 | -60.7 | 161.5 | -74.3 | 0 | 0 | 111.9 | ||
| 48 | P | 29.8 | Very low | 30.8 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 119.9 | 156.7 | 30.1 | -21.8 | 0 | 0 | 0 | 110.2 | ||
| 49 | T | 27.7 | Very low | 32.2 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 152.7 | 160.3 | 43.7 | 0 | 0 | 0 | 0 | 110.4 | ||
| 50 | D | 26.1 | Very low | 34.3 | Very low | 157 Ų | 157 | 132.8 Ų | 132.8 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 140.4 | -177.7 | -58.6 | -70.4 | 0 | 0 | 0 | 114.7 | ||
| 51 | S | 27.4 | Very low | 35.9 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | -158.3 | 129.6 | 133.6 | 39.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 52 | V | 28.6 | Very low | 38.2 | Very low | 138 Ų | 138 | 130 Ų | 130 | 84% | 0.836 | 74% | 0.735 | S | S | * | * | trans | -89.4 | 134.2 | -179.7 | 172.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 53 | S | 27.9 | Very low | 40.5 | Very low | 122 Ų | 122 | 123.9 Ų | 123.9 | 85% | 0.853 | 72% | 0.719 | S | S | * | * | trans | -143.2 | 119.6 | 153.7 | 62.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 54 | S | 33.6 | Very low | 42.8 | Very low | 95 Ų | 95 | 116.9 Ų | 116.9 | 66% | 0.664 | 68% | 0.682 | S | S | * | * | trans | -88.6 | 132.8 | -172.2 | 50.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 55 | E | 31 | Very low | 45.1 | Very low | 201 Ų | 201 | 111.6 Ų | 111.6 | 94% | 0.939 | 65% | 0.649 | S | S | * | * | trans | -126.2 | 80.4 | 151.7 | -76 | -164.6 | 147.3 | 0 | 0 | 109.5 | A57 | E55-A57 PolarHBondContact O-N 3.27Š| ||
| 56 | T | 35.3 | Very low | 47.1 | Very low | 109 Ų | 109 | 109.2 Ų | 109.2 | 67% | 0.669 | 63% | 0.629 | S | S | * | * | trans | -79.8 | 96.2 | 168.2 | 45.4 | 0 | 0 | 0 | 0 | 109.3 | F58 | T56-F58 PolarHBondContact O-N 3.27Š| ||
| 57 | A | 39.5 | Very low | 49.4 | Very low | 74 Ų | 74 | 106.3 Ų | 106.3 | 61% | 0.612 | 61% | 0.609 | S | S | * | * | trans | -69.6 | 119.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | E55 L59 | E55-A57 PolarHBondContact O-N 3.27Å; A57-L59 PolarHBondContact O-N 2.84Å | ||
| 58 | F | 48.9 | Very low | 51.7 | Low | 147 Ų | 147 | 100.7 Ų | 100.7 | 65% | 0.645 | 59% | 0.585 | S | S | * | * | trans | -69.2 | 121.2 | 176.1 | -68.8 | -96.6 | 0 | 0 | 0 | 109.9 | T56 | T56-F58 PolarHBondContact O-N 3.27Š| ||
| 59 | L | 58.3 | Low | 54.2 | Low | 105 Ų | 105 | 97.7 Ų | 97.7 | 55% | 0.55 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.4 | 122.7 | 173.1 | -90.3 | 158.3 | 0 | 0 | 0 | 108.6 | A57 N131 | A57-L59 PolarHBondContact O-N 2.84Å; L59-N131 HydrophobicContact CD2-CB 4.12Å; L59-N131 WeakPolarHBondContact CD2-ND2 3.49Å |
| 60 | E | 70.4 | Confident | 57 | Low | 70 Ų | 70 | 92 Ų | 92 | 33% | 0.327 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 111.5 | 174.1 | -80.2 | 165 | -144.6 | 0 | 0 | 108.9 | K130 N131 Y132 T133 | E60-K130 WeakPolarHBondContact OE1-CE 3.04Å; E60-K130 IonicContact OE1-NZ 2.72Å; E60-K130 PolarHBondContact OE1-NZ 2.87Å; E60-K130 IonicContact OE2-NZ 3.17Å; E60-K130 PolarHBondContact OE2-NZ 2.92Å; E60-N131 PolarHBondContact N-O 2.8Å; E60-N131 VanDerWaalsContact N-O 3.14Å; E60-Y132 HydrophobicContact CB-CD1 3.71Å; E60-Y132 HydrophobicContact CB-CE1 3.97Å; E60-Y132 VanDerWaalsContact O-CA 3.23Å; E60-Y132 WeakPolarHBondContact O-CA 3.34Å; E60-Y132 VanDerWaalsContact OE2-CE1 3.29Å; E60-Y132 WeakPolarHBondContact OE2-CE1 3.5Å; E60-T133 PolarHBondContact O-N 3.16Å; E60-T133 VanDerWaalsContact O-N 3.16Å |
| 61 | D | 74.1 | Confident | 59.8 | Low | 105 Ų | 105 | 89 Ų | 89 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 128.8 | -177.7 | -78.9 | 7.5 | 0 | 0 | 0 | 110.9 | T133 | D61-T133 CarbonylContact C-O 3.55Å; D61-T133 WeakPolarHBondContact CA-O 3.31Å; D61-T133 WeakPolarHBondContact OD1-CB 3.1Å; D61-T133 PolarHBondContact OD1-OG1 3.45Å |
| 62 | F | 75.4 | Confident | 62.6 | Low | 64 Ų | 64 | 83.4 Ų | 83.4 | 28% | 0.281 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134.9 | 177.7 | -73.1 | -82.9 | 0 | 0 | 0 | 111.5 | L70 M72 Y132 T133 I134 R135 | F62-L70 HydrophobicContact CD1-CD1 3.91Å; F62-L70 HydrophobicContact CD2-CD1 4.32Å; F62-L70 HydrophobicContact CE1-CD1 4.03Å; F62-L70 HydrophobicContact CE2-CD1 4.41Å; F62-L70 HydrophobicContact CG-CD1 4.07Å; F62-L70 HydrophobicContact CZ-CD1 4.28Å; F62-M72 HydrophobicContact CE2-CG 4.22Å; F62-Y132 HydrophobicContact CD2-CD1 4.34Å; F62-Y132 AromaticContact CE2-CD1 3.77Å; F62-Y132 HydrophobicContact CE2-CD1 3.77Å; F62-Y132 HydrophobicContact CE2-CE1 4.19Å; F62-T133 PolarHBondContact N-O 2.86Å; F62-I134 HydrophobicContact CB-CG1 4.3Å; F62-I134 WeakPolarHBondContact O-CA 3.47Å; F62-R135 PolarHBondContact O-N 2.76Å |
| 63 | I | 76.1 | Confident | 65.1 | Low | 115 Ų | 115 | 79.6 Ų | 79.6 | 59% | 0.59 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 125.4 | 169.8 | -57.5 | 174.6 | 0 | 0 | 0 | 107.4 | R135 T137 | I63-R135 WeakPolarHBondContact CA-O 3.45Å; I63-T137 HydrophobicContact CG2-CG2 4.21Å |
| 64 | L | 76.4 | Confident | 67.5 | Low | 24 Ų | 24 | 73.9 Ų | 73.9 | 13% | 0.126 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 154.8 | -171.3 | -64.1 | 171.8 | 0 | 0 | 0 | 111.9 | D68 L70 V110 I134 R135 V136 T137 | L64-D68 HydrophobicContact CB-CB 4.42Å; L64-D68 HydrophobicContact CD2-CB 4.43Å; L64-L70 HydrophobicContact CD1-CB 3.8Å; L64-L70 HydrophobicContact CD1-CD1 4.19Å; L64-L70 HydrophobicContact CD1-CD2 4.01Å; L64-L70 HydrophobicContact CD1-CG 4.21Å; L64-V110 HydrophobicContact CD1-CG1 4.34Å; L64-V110 HydrophobicContact CD1-CG2 4.42Å; L64-I134 HydrophobicContact CD1-CG2 4.29Å; L64-R135 PolarHBondContact N-O 2.9Å; L64-V136 CarbonylContact O-C 3.26Å; L64-V136 VanDerWaalsContact O-CA 3.31Å; L64-V136 WeakPolarHBondContact O-CA 3.34Å; L64-T137 PolarHBondContact O-N 3.16Å |
| 65 | G | 76.4 | Confident | 69.1 | Low | 8 Ų | 8 | 74.5 Ų | 74.5 | 8% | 0.082 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 161.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G67 D68 T137 | G65-G67 PolarHBondContact O-N 2.94Å; G65-D68 WeakPolarHBondContact CA-OD2 3.29Å; G65-D68 PolarHBondContact N-OD2 3.03Å; G65-T137 WeakPolarHBondContact CA-O 3.01Å |
| 66 | M | 73.1 | Confident | 70.7 | Confident | 102 Ų | 102 | 72 Ų | 72 | 50% | 0.502 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 127.3 | 165.7 | -76.2 | -156.4 | -63.7 | 0 | 0 | 110.5 | Y112 V136 D138 | M66-Y112 HydrophobicContact CE-CE2 3.9Å; M66-Y112 HydrophobicContact CG-CD2 4.28Å; M66-Y112 HydrophobicContact CG-CE2 3.99Å; M66-Y112 HydrophobicContact SD-CD2 3.5Å; M66-Y112 WeakPolarHBondContact SD-CD2 3.38Å; M66-Y112 HydrophobicContact SD-CE2 3.34Å; M66-Y112 WeakPolarHBondContact SD-CE2 3.32Å; M66-V136 HydrophobicContact CG-CG1 3.82Å; M66-D138 WeakPolarHBondContact CE-OD1 3.26Å |
| 67 | G | 73.9 | Confident | 71.7 | Confident | 39 Ų | 39 | 76.2 Ų | 76.2 | 40% | 0.402 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 106.5 | -17.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G65 N109 V110 | G65-G67 PolarHBondContact O-N 2.94Å; G67-N109 WeakPolarHBondContact CA-OD1 3.38Å; G67-V110 PolarHBondContact N-O 2.71Å |
| 68 | D | 76.4 | Confident | 72.4 | Confident | 63 Ų | 63 | 79.2 Ų | 79.2 | 34% | 0.337 | 41% | 0.405 | S | S | . | . | trans | -62.4 | 163.1 | -177.2 | -67.6 | -9.3 | 0 | 0 | 0 | 112.7 | L64 G65 N109 V110 | L64-D68 HydrophobicContact CB-CB 4.42Å; L64-D68 HydrophobicContact CD2-CB 4.43Å; G65-D68 WeakPolarHBondContact CA-OD2 3.29Å; G65-D68 PolarHBondContact N-OD2 3.03Å; D68-N109 WeakPolarHBondContact O-CA 3.25Å; D68-N109 PolarHBondContact O-N 2.03Å; D68-V110 WeakPolarHBondContact O-CB 3.19Å; D68-V110 WeakPolarHBondContact O-CG2 3.41Å; D68-V110 PolarHBondContact O-N 2.86Å | ||
| 69 | T | 82.9 | Confident | 72.7 | Confident | 66 Ų | 66 | 74.4 Ų | 74.4 | 41% | 0.405 | 39% | 0.39 | S | S | . | . | trans | -115.4 | 112.1 | 172.6 | -64.7 | 0 | 0 | 0 | 0 | 110.1 | R106 I107 I108 | T69-R106 HydrophobicContact CG2-CG 4.03Å; T69-I107 CarbonylContact C-O 3.59Å; T69-I107 WeakPolarHBondContact CA-O 3.46Å; T69-I108 HydrophobicContact CG2-CB 4.46Å; T69-I108 HydrophobicContact CG2-CG1 4.03Å | ||
| 70 | L | 84.6 | Confident | 72.7 | Confident | 8 Ų | 8 | 75.5 Ų | 75.5 | 4% | 0.042 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 136.7 | 177.1 | 178.1 | 60.8 | 0 | 0 | 0 | 110.9 | F62 L64 M72 R106 I107 V110 I134 | F62-L70 HydrophobicContact CD1-CD1 3.91Å; F62-L70 HydrophobicContact CD2-CD1 4.32Å; F62-L70 HydrophobicContact CE1-CD1 4.03Å; F62-L70 HydrophobicContact CE2-CD1 4.41Å; F62-L70 HydrophobicContact CG-CD1 4.07Å; F62-L70 HydrophobicContact CZ-CD1 4.28Å; L64-L70 HydrophobicContact CD1-CB 3.8Å; L64-L70 HydrophobicContact CD1-CD1 4.19Å; L64-L70 HydrophobicContact CD1-CD2 4.01Å; L64-L70 HydrophobicContact CD1-CG 4.21Å; L70-M72 HydrophobicContact CD1-CG 4.2Å; L70-M72 HydrophobicContact CD2-CE 3.82Å; L70-M72 HydrophobicContact CD2-CG 4.13Å; L70-M72 HydrophobicContact CD2-SD 4.09Å; L70-M72 HydrophobicContact CG-CE 4.41Å; L70-M72 HydrophobicContact CG-CG 4.1Å; L70-R106 CarbonylContact O-C 3.45Å; L70-R106 VanDerWaalsContact O-CA 3.26Å; L70-R106 WeakPolarHBondContact O-CA 3.29Å; L70-I107 PolarHBondContact N-O 2.97Å; L70-I107 PolarHBondContact O-N 3.4Å; L70-V110 HydrophobicContact CB-CG2 4.19Å; L70-I134 HydrophobicContact CD2-CD1 3.2Å; L70-I134 HydrophobicContact CD2-CG1 3.76Å |
| 71 | E | 85.9 | Confident | 72.6 | Confident | 94 Ų | 94 | 75.8 Ų | 75.8 | 44% | 0.439 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 116.8 | 167.8 | -168.9 | 161.2 | 164.6 | 0 | 0 | 110.7 | L105 R106 | E71-L105 WeakPolarHBondContact CA-O 3.49Å; E71-R106 HydrophobicContact CB-CB 4.45Å; E71-R106 HydrophobicContact CB-CG 4.17Å; E71-R106 HydrophobicContact CG-CB 4.18Å; E71-R106 HydrophobicContact CG-CG 4.3Å; E71-R106 VanDerWaalsContact OE2-CD 3.25Å; E71-R106 WeakPolarHBondContact OE2-CD 3.26Å; E71-R106 IonicContact OE2-CZ 3.41Å; E71-R106 IonicContact OE2-NE 3.53Å; E71-R106 IonicContact OE2-NH1 2.74Å; E71-R106 PolarHBondContact OE2-NH1 3.26Å |
| 72 | M | 85.4 | Confident | 72.4 | Confident | 2 Ų | 2 | 73.7 Ų | 73.7 | 1% | 0.01 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 136 | 177.8 | -67.5 | 174.1 | -78.6 | 0 | 0 | 109.9 | F62 L70 W85 T104 L105 Y118 Y132 I134 | F62-M72 HydrophobicContact CE2-CG 4.22Å; L70-M72 HydrophobicContact CD1-CG 4.2Å; L70-M72 HydrophobicContact CD2-CE 3.82Å; L70-M72 HydrophobicContact CD2-CG 4.13Å; L70-M72 HydrophobicContact CD2-SD 4.09Å; L70-M72 HydrophobicContact CG-CE 4.41Å; L70-M72 HydrophobicContact CG-CG 4.1Å; M72-W85 HydrophobicContact CB-CH2 3.8Å; M72-W85 HydrophobicContact CB-CZ3 4.03Å; M72-T104 CarbonylContact O-C 3.45Å; M72-T104 VanDerWaalsContact O-CA 3.25Å; M72-T104 WeakPolarHBondContact O-CA 3.44Å; M72-L105 HydrophobicContact CE-CB 4.5Å; M72-L105 HydrophobicContact CE-CD2 3.68Å; M72-L105 HydrophobicContact CE-CG 4.05Å; M72-L105 PolarHBondContact N-O 2.85Å; M72-L105 PolarHBondContact O-N 2.94Å; M72-Y118 HydrophobicContact CE-CD1 3.94Å; M72-Y118 HydrophobicContact CE-CG 4.07Å; M72-Y132 HydrophobicContact CB-CE1 4.39Å; M72-Y132 HydrophobicContact CB-CE2 4.3Å; M72-Y132 HydrophobicContact CG-CD1 4.27Å; M72-Y132 HydrophobicContact CG-CE1 4.32Å; M72-Y132 HydrophobicContact CG-CG 4.35Å; M72-Y132 HydrophobicContact SD-CD1 4.06Å; M72-Y132 HydrophobicContact SD-CD2 3.78Å; M72-Y132 HydrophobicContact SD-CE2 4.36Å; M72-Y132 HydrophobicContact SD-CG 3.6Å; M72-Y132 VanDerWaalsContact SD-CG 3.6Å; M72-I134 HydrophobicContact CE-CD1 3.87Å; M72-I134 HydrophobicContact SD-CD1 4.08Å |
| 73 | S | 82.1 | Confident | 72.7 | Confident | 59 Ų | 59 | 71.4 Ų | 71.4 | 41% | 0.413 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 126.8 | -179.6 | 67.6 | 0 | 0 | 0 | 0 | 112.8 | Y132 | S73-Y132 PolarHBondContact O-OH 2.67Å |
| 74 | C | 78 | Confident | 73.1 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.007 | 38% | 0.379 | C | S | . | . | trans | -109.6 | 88.9 | -179.1 | -167.9 | 0 | 0 | 0 | 0 | 109.2 | I83 W85 R103 C120 L129 | C74-I83 HydrophobicContact CB-CD1 4.21Å; C74-I83 HydrophobicContact CB-CG2 4.43Å; C74-I83 VanDerWaalsContact O-CD1 3.23Å; C74-I83 WeakPolarHBondContact O-CD1 3.45Å; C74-W85 HydrophobicContact CB-CH2 3.79Å; C74-W85 HydrophobicContact CB-CZ2 3.51Å; C74-R103 PolarHBondContact N-O 2.84Å; C74-C120 HydrophobicContact CB-CB 3.54Å; C74-C120 WeakPolarHBondContact CB-SG 3.32Å; C74-C120 WeakPolarHBondContact SG-CB 3.38Å; C74-C120 CovalentContact SG-SG 2.03Å; C74-C120 PolarHBondContact SG-SG 3.37Å; C74-L129 VanDerWaalsContact SG-CB 3.55Å | ||
| 75 | N | 67.9 | Low | 73.6 | Confident | 109 Ų | 109 | 67.6 Ų | 67.6 | 58% | 0.583 | 37% | 0.373 | S | S | * | . | trans | -109.4 | 137.9 | 178.4 | -85.7 | -32.1 | 0 | 0 | 0 | 111.5 | R103 | N75-R103 PolarHBondContact OD1-NE 2.79Š| ||
| 76 | R | 63.4 | Low | 73.9 | Confident | 149 Ų | 149 | 69.3 Ų | 69.3 | 56% | 0.562 | 38% | 0.378 | S | S | * | . | trans | -126.4 | 136.1 | 164.7 | 178.3 | -179.3 | 166.6 | 115 | 3.9 | 107 | D78 R103 | R76-D78 VanDerWaalsContact C-N 3.3Å; R76-D78 PolarHBondContact NE-O 3.46Å; R76-D78 PolarHBondContact O-N 3.2Å; R76-R103 PolarHBondContact O-NH2 2.88Å | ||
| 77 | E | 55.6 | Low | 74.6 | Confident | 197 Ų | 197 | 66.1 Ų | 66.1 | 92% | 0.921 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -68.1 | -25.5 | -169.7 | -68 | -177.5 | 137.9 | 0 | 0 | 113.8 | ||
| 78 | D | 55.4 | Low | 75 | Confident | 136 Ų | 136 | 68.2 Ų | 68.2 | 73% | 0.727 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -132.3 | 110.7 | 171.8 | -82.8 | -54.9 | 0 | 0 | 0 | 112.1 | R76 | R76-D78 VanDerWaalsContact C-N 3.3Å; R76-D78 PolarHBondContact NE-O 3.46Å; R76-D78 PolarHBondContact O-N 3.2Å |
| 79 | S | 54.5 | Low | 75.1 | Confident | 46 Ų | 46 | 69.6 Ų | 69.6 | 32% | 0.322 | 38% | 0.378 | S | S | . | . | trans | 162.9 | 145.5 | 148.9 | 44.7 | 0 | 0 | 0 | 0 | 112.2 | R103 | S79-R103 PolarHBondContact O-NH1 2.77Š| ||
| 80 | S | 59.1 | Low | 75 | Confident | 129 Ų | 129 | 72.4 Ų | 72.4 | 90% | 0.902 | 39% | 0.39 | S | S | * | . | trans | -94.4 | 17.9 | -179.9 | -45.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 81 | E | 67.4 | Low | 74.9 | Confident | 76 Ų | 76 | 74.1 Ų | 74.1 | 36% | 0.355 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 146.6 | -176.3 | -74.4 | -166.4 | -147.4 | 0 | 0 | 113.2 | L122 H124 | E81-L122 HydrophobicContact CB-CD2 3.93Å; E81-H124 IonicContact OE2-ND1 3.55Å |
| 82 | P | 70.5 | Confident | 74.7 | Confident | 60 Ų | 60 | 71.8 Ų | 71.8 | 39% | 0.39 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 138.5 | 176.9 | 28.4 | -32.2 | 0 | 0 | 0 | 112 | A123 | P82-A123 HydrophobicContact CB-CB 4.46Å; P82-A123 HydrophobicContact CG-CB 3.95Å; P82-A123 VanDerWaalsContact O-CB 3.29Å; P82-A123 WeakPolarHBondContact O-CB 3.49Å; P82-A123 PolarHBondContact O-N 2.89Å |
| 83 | I | 82.4 | Confident | 74.4 | Confident | 17 Ų | 17 | 76.3 Ų | 76.3 | 9% | 0.087 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 141.7 | 178.8 | -57.1 | 173.9 | 0 | 0 | 0 | 109.4 | C74 Q102 R103 C120 R121 L122 L129 | C74-I83 HydrophobicContact CB-CD1 4.21Å; C74-I83 HydrophobicContact CB-CG2 4.43Å; C74-I83 VanDerWaalsContact O-CD1 3.23Å; C74-I83 WeakPolarHBondContact O-CD1 3.45Å; I83-Q102 WeakPolarHBondContact CB-O 3.17Å; I83-R103 HydrophobicContact CD1-CG 4.34Å; I83-C120 HydrophobicContact CG2-CB 3.77Å; I83-R121 WeakPolarHBondContact CA-O 3.41Å; I83-L122 HydrophobicContact CG1-CD2 4.32Å; I83-L129 HydrophobicContact CD1-CD1 3.92Å; I83-L129 HydrophobicContact CG1-CD1 3.99Å; I83-L129 HydrophobicContact CG2-CD1 4.3Å |
| 84 | V | 83.5 | Confident | 74.2 | Confident | 57 Ų | 57 | 77 Ų | 77 | 35% | 0.345 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 139.2 | 175 | -172.7 | 0 | 0 | 0 | 0 | 109.1 | F86 R121 A123 | V84-F86 HydrophobicContact CB-CE2 3.97Å; V84-F86 HydrophobicContact CG1-CD2 4.42Å; V84-F86 HydrophobicContact CG1-CE2 3.71Å; V84-F86 HydrophobicContact CG1-CZ 3.92Å; V84-R121 PolarHBondContact N-O 3.18Å; V84-R121 PolarHBondContact O-N 2.94Å; V84-A123 HydrophobicContact CG2-CB 3.72Å |
| 85 | W | 87.7 | Confident | 74.2 | Confident | 1 Ų | 1 | 79 Ų | 79 | 0% | 0.004 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 140.7 | -179.5 | -69.3 | 88.2 | 0 | 0 | 0 | 111.6 | M72 C74 L92 V100 L105 T119 C120 Y132 | M72-W85 HydrophobicContact CB-CH2 3.8Å; M72-W85 HydrophobicContact CB-CZ3 4.03Å; C74-W85 HydrophobicContact CB-CH2 3.79Å; C74-W85 HydrophobicContact CB-CZ2 3.51Å; W85-L92 HydrophobicContact CB-CB 4.45Å; W85-L92 HydrophobicContact CB-CD1 4.25Å; W85-L92 PolarHBondContact O-N 2.8Å; W85-V100 HydrophobicContact CB-CG1 4.13Å; W85-V100 HydrophobicContact CG-CG1 4.16Å; W85-L105 HydrophobicContact CB-CD2 4.16Å; W85-L105 HydrophobicContact CD2-CB 3.62Å; W85-L105 HydrophobicContact CD2-CD2 3.88Å; W85-L105 HydrophobicContact CD2-CG 4.35Å; W85-L105 HydrophobicContact CE3-CB 3.82Å; W85-L105 HydrophobicContact CE3-CD2 3.56Å; W85-L105 HydrophobicContact CE3-CG 4.34Å; W85-L105 HydrophobicContact CG-CB 4.12Å; W85-L105 HydrophobicContact CG-CD2 4.16Å; W85-L105 HydrophobicContact CH2-CB 4.07Å; W85-L105 HydrophobicContact CZ2-CB 3.89Å; W85-L105 HydrophobicContact CZ3-CB 4.03Å; W85-L105 HydrophobicContact CZ3-CD2 4.19Å; W85-T119 WeakPolarHBondContact CA-O 3.41Å; W85-C120 HydrophobicContact CD2-CB 3.84Å; W85-C120 HydrophobicContact CE3-CB 3.74Å; W85-C120 HydrophobicContact CH2-CB 3.93Å; W85-C120 HydrophobicContact CZ2-CB 4Å; W85-C120 HydrophobicContact CZ3-CB 3.8Å; W85-Y132 AromaticContact CH2-CE2 3.85Å; W85-Y132 HydrophobicContact CH2-CE2 3.85Å; W85-Y132 HydrophobicContact CZ3-CD2 4.02Å; W85-Y132 AromaticContact CZ3-CE2 3.62Å; W85-Y132 HydrophobicContact CZ3-CE2 3.62Å |
| 86 | F | 83.1 | Confident | 74.5 | Confident | 44 Ų | 44 | 82 Ų | 82 | 19% | 0.193 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 143.1 | 178 | -61.8 | -100.5 | 0 | 0 | 0 | 110.2 | V84 I90 Y118 T119 R121 | V84-F86 HydrophobicContact CB-CE2 3.97Å; V84-F86 HydrophobicContact CG1-CD2 4.42Å; V84-F86 HydrophobicContact CG1-CE2 3.71Å; V84-F86 HydrophobicContact CG1-CZ 3.92Å; F86-I90 CarbonylContact C-O 3.56Å; F86-I90 WeakPolarHBondContact CA-O 2.99Å; F86-Y118 CarbonylContact O-C 3.47Å; F86-Y118 VanDerWaalsContact O-CA 3.29Å; F86-Y118 WeakPolarHBondContact O-CA 3.46Å; F86-T119 PolarHBondContact N-O 3.34Å; F86-T119 PolarHBondContact O-N 3.28Å; F86-R121 HydrophobicContact CD2-CG 4.14Å; F86-R121 HydrophobicContact CE2-CB 4.27Å; F86-R121 HydrophobicContact CE2-CG 4.26Å |
| 87 | K | 86.5 | Confident | 75.4 | Confident | 36 Ų | 36 | 79 Ų | 79 | 16% | 0.157 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 125.6 | 165.3 | -179.3 | -169 | -171.8 | -173.8 | 0 | 108.6 | S89 I90 L92 E113 S115 V117 Y118 | K87-S89 PolarHBondContact O-N 2.91Å; K87-S89 VanDerWaalsContact O-N 3.08Å; K87-I90 PolarHBondContact N-O 2.91Å; K87-I90 WeakPolarHBondContact O-CA 3.3Å; K87-I90 WeakPolarHBondContact O-CB 3Å; K87-I90 PolarHBondContact O-N 3.38Å; K87-L92 HydrophobicContact CB-CD1 4.07Å; K87-L92 HydrophobicContact CB-CD2 3.82Å; K87-L92 HydrophobicContact CB-CG 4.08Å; K87-E113 PolarHBondContact NZ-O 2.8Å; K87-S115 WeakPolarHBondContact CE-O 3.5Å; K87-S115 PolarHBondContact NZ-O 2.81Å; K87-V117 CarbonylContact C-O 3.57Å; K87-Y118 HydrophobicContact CB-CD1 4Å; K87-Y118 HydrophobicContact CB-CE1 3.79Å; K87-Y118 HydrophobicContact CB-CE2 4.36Å; K87-Y118 HydrophobicContact CB-CG 4.42Å; K87-Y118 HydrophobicContact CD-CE1 4.1Å; K87-Y118 HydrophobicContact CD-CE2 3.86Å; K87-Y118 VanDerWaalsContact CD-OH 3.31Å; K87-Y118 WeakPolarHBondContact CD-OH 3.34Å; K87-Y118 WeakPolarHBondContact CE-OH 3.31Å; K87-Y118 HydrophobicContact CG-CD1 4.29Å; K87-Y118 HydrophobicContact CG-CD2 4.07Å; K87-Y118 HydrophobicContact CG-CE1 3.89Å; K87-Y118 HydrophobicContact CG-CE2 3.62Å; K87-Y118 HydrophobicContact CG-CG 4.4Å |
| 88 | D | 82.7 | Confident | 76.7 | Confident | 82 Ų | 82 | 70.7 Ų | 70.7 | 44% | 0.439 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 37.6 | 178.3 | -55.6 | -48.1 | 0 | 0 | 0 | 112.3 | I90 V117 | D88-I90 VanDerWaalsContact C-N 3.31Å; D88-I90 PolarHBondContact O-N 2.87Å; D88-V117 PolarHBondContact N-O 2.91Å; D88-V117 PolarHBondContact OD1-N 3.24Å |
| 89 | S | 77.9 | Confident | 78 | Confident | 92 Ų | 92 | 71.9 Ų | 71.9 | 64% | 0.643 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 5.9 | -173.1 | -46.8 | 0 | 0 | 0 | 0 | 117.3 | K87 | K87-S89 PolarHBondContact O-N 2.91Å; K87-S89 VanDerWaalsContact O-N 3.08Å |
| 90 | I | 81 | Confident | 79.3 | Confident | 126 Ų | 126 | 71.5 Ų | 71.5 | 65% | 0.646 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 130.2 | 173.8 | -56.6 | 172.9 | 0 | 0 | 0 | 109.7 | F86 K87 D88 | F86-I90 CarbonylContact C-O 3.56Å; F86-I90 WeakPolarHBondContact CA-O 2.99Å; K87-I90 PolarHBondContact N-O 2.91Å; K87-I90 WeakPolarHBondContact O-CA 3.3Å; K87-I90 WeakPolarHBondContact O-CB 3Å; K87-I90 PolarHBondContact O-N 3.38Å; D88-I90 VanDerWaalsContact C-N 3.31Å; D88-I90 PolarHBondContact O-N 2.87Å |
| 91 | G | 82.1 | Confident | 80.1 | Confident | 44 Ų | 44 | 66.8 Ų | 66.8 | 45% | 0.454 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 131.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 92 | L | 83.3 | Confident | 80.3 | Confident | 44 Ų | 44 | 70.6 Ų | 70.6 | 23% | 0.23 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -91.4 | 133.9 | -178.5 | -68.4 | 172 | 0 | 0 | 0 | 111.9 | W85 K87 V100 L105 Y118 | W85-L92 HydrophobicContact CB-CB 4.45Å; W85-L92 HydrophobicContact CB-CD1 4.25Å; W85-L92 PolarHBondContact O-N 2.8Å; K87-L92 HydrophobicContact CB-CD1 4.07Å; K87-L92 HydrophobicContact CB-CD2 3.82Å; K87-L92 HydrophobicContact CB-CG 4.08Å; L92-V100 HydrophobicContact CB-CG2 4.09Å; L92-L105 HydrophobicContact CD1-CD1 4.38Å; L92-L105 HydrophobicContact CD1-CD2 3.58Å; L92-Y118 HydrophobicContact CD1-CD1 3.7Å; L92-Y118 HydrophobicContact CD1-CE1 3.71Å |
| 93 | S | 77.8 | Confident | 80.5 | Confident | 98 Ų | 98 | 71.7 Ų | 71.7 | 69% | 0.685 | 40% | 0.401 | S | S | * | . | trans | -112.6 | 147.4 | 170.6 | 58.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 94 | S | 78.6 | Confident | 80.6 | Confident | 74 Ų | 74 | 73.4 Ų | 73.4 | 52% | 0.517 | 41% | 0.412 | S | S | . | . | trans | -61.1 | 136.2 | 173.4 | -67.3 | 0 | 0 | 0 | 0 | 111.9 | T98 V100 | S94-T98 CarbonylContact C-O 3.44Å; S94-T98 WeakPolarHBondContact CA-O 3.25Å; S94-V100 PolarHBondContact OG-N 3.19Å; S94-V100 PolarHBondContact OG-O 3.41Å | ||
| 95 | G | 78.1 | Confident | 80.7 | Confident | 43 Ų | 43 | 70.7 Ų | 70.7 | 44% | 0.443 | 40% | 0.395 | S | S | . | . | trans | -148.5 | -162 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R97 T98 | G95-R97 PolarHBondContact O-N 2.92Å; G95-T98 PolarHBondContact N-O 3.36Å | ||
| 96 | N | 74.3 | Confident | 80.6 | Confident | 172 Ų | 172 | 75.7 Ų | 75.7 | 92% | 0.92 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -67.1 | -37.3 | -171.1 | -67.7 | -7.1 | 0 | 0 | 0 | 114 | ||
| 97 | R | 81.4 | Confident | 80.8 | Confident | 85 Ų | 85 | 73.7 Ų | 73.7 | 32% | 0.321 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -98.6 | -31.8 | 177.4 | -63.9 | -164 | -59.2 | 108 | 4.5 | 113.5 | G95 I108 N109 D114 | G95-R97 PolarHBondContact O-N 2.92Å; R97-I108 WeakPolarHBondContact CB-O 3.23Å; R97-I108 PolarHBondContact O-N 2.8Å; R97-N109 PolarHBondContact NH1-O 2.9Å; R97-D114 IonicContact CZ-OD1 3.32Å; R97-D114 IonicContact CZ-OD2 2.71Å; R97-D114 IonicContact NH1-OD1 2.8Å; R97-D114 IonicContact NH1-OD2 3.02Å; R97-D114 PolarHBondContact NH1-OD2 3.45Å; R97-D114 IonicContact NH2-OD1 2.67Å; R97-D114 PolarHBondContact NH2-OD1 2.96Å; R97-D114 IonicContact NH2-OD2 3.74Å; R97-D114 PolarHBondContact NH2-OD2 3.44Å; R97-D114 VanDerWaalsContact NH2-OD2 3.17Å |
| 98 | T | 82.9 | Confident | 80.6 | Confident | 23 Ų | 23 | 74.6 Ų | 74.6 | 14% | 0.141 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 121.1 | -173.2 | -53.6 | 0 | 0 | 0 | 0 | 111 | S94 G95 V100 L105 R106 I107 | S94-T98 CarbonylContact C-O 3.44Å; S94-T98 WeakPolarHBondContact CA-O 3.25Å; G95-T98 PolarHBondContact N-O 3.36Å; T98-V100 HydrophobicContact CG2-CG2 4.23Å; T98-L105 HydrophobicContact CG2-CD1 3.66Å; T98-R106 CarbonylContact C-O 3.5Å; T98-R106 WeakPolarHBondContact CA-O 3.39Å; T98-I107 HydrophobicContact CG2-CG1 4.13Å |
| 99 | R | 82.4 | Confident | 80.5 | Confident | 160 Ų | 160 | 75.3 Ų | 75.3 | 60% | 0.604 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 110.8 | 175.1 | -61.9 | -173.7 | -179.9 | -158.8 | 1 | 109.6 | R106 | R99-R106 PolarHBondContact N-O 2.78Å; R99-R106 PolarHBondContact O-N 3.17Å |
| 100 | V | 83.3 | Confident | 80.7 | Confident | 38 Ų | 38 | 71 Ų | 71 | 23% | 0.23 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 113.7 | 177.1 | -166.1 | 0 | 0 | 0 | 0 | 108.6 | W85 L92 S94 T98 L105 | W85-V100 HydrophobicContact CB-CG1 4.13Å; W85-V100 HydrophobicContact CG-CG1 4.16Å; L92-V100 HydrophobicContact CB-CG2 4.09Å; S94-V100 PolarHBondContact OG-N 3.19Å; S94-V100 PolarHBondContact OG-O 3.41Å; T98-V100 HydrophobicContact CG2-CG2 4.23Å; V100-L105 HydrophobicContact CB-CD1 4.34Å; V100-L105 HydrophobicContact CG1-CD1 4.49Å; V100-L105 HydrophobicContact CG2-CD1 3.82Å |
| 101 | G | 75.4 | Confident | 80.7 | Confident | 30 Ų | 30 | 66.4 Ų | 66.4 | 31% | 0.309 | 36% | 0.364 | S | S | . | . | trans | -104.9 | 171.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R103 T104 | G101-R103 PolarHBondContact O-N 3.08Å; G101-T104 CarbonylContact C-O 3.55Å; G101-T104 VanDerWaalsContact CA-O 3.31Å; G101-T104 WeakPolarHBondContact CA-O 3.21Å; G101-T104 PolarHBondContact N-O 2.84Å | ||
| 102 | Q | 72.1 | Confident | 80.6 | Confident | 157 Ų | 157 | 69.3 Ų | 69.3 | 73% | 0.734 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -64 | -21.5 | -177.5 | -75.2 | -173.6 | -16.9 | 0 | 0 | 114.6 | I83 | I83-Q102 WeakPolarHBondContact CB-O 3.17Š|
| 103 | R | 74.9 | Confident | 80.4 | Confident | 82 Ų | 82 | 74.8 Ų | 74.8 | 31% | 0.309 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -139.9 | -4.4 | 179.3 | -56 | -178.6 | 83.2 | 99.1 | -13.8 | 113.6 | C74 N75 R76 S79 I83 G101 | C74-R103 PolarHBondContact N-O 2.84Å; N75-R103 PolarHBondContact OD1-NE 2.79Å; R76-R103 PolarHBondContact O-NH2 2.88Å; S79-R103 PolarHBondContact O-NH1 2.77Å; I83-R103 HydrophobicContact CD1-CG 4.34Å; G101-R103 PolarHBondContact O-N 3.08Å |
| 104 | T | 83.4 | Confident | 80.7 | Confident | 53 Ų | 53 | 70.7 Ų | 70.7 | 33% | 0.325 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 150 | -179.7 | 55.2 | 0 | 0 | 0 | 0 | 111.2 | M72 G101 | M72-T104 CarbonylContact O-C 3.45Å; M72-T104 VanDerWaalsContact O-CA 3.25Å; M72-T104 WeakPolarHBondContact O-CA 3.44Å; G101-T104 CarbonylContact C-O 3.55Å; G101-T104 VanDerWaalsContact CA-O 3.31Å; G101-T104 WeakPolarHBondContact CA-O 3.21Å; G101-T104 PolarHBondContact N-O 2.84Å |
| 105 | L | 86 | Confident | 81 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 119 | 173.6 | 172.4 | 60.5 | 0 | 0 | 0 | 108.4 | E71 M72 W85 L92 T98 V100 Y118 | E71-L105 WeakPolarHBondContact CA-O 3.49Å; M72-L105 HydrophobicContact CE-CB 4.5Å; M72-L105 HydrophobicContact CE-CD2 3.68Å; M72-L105 HydrophobicContact CE-CG 4.05Å; M72-L105 PolarHBondContact N-O 2.85Å; M72-L105 PolarHBondContact O-N 2.94Å; W85-L105 HydrophobicContact CB-CD2 4.16Å; W85-L105 HydrophobicContact CD2-CB 3.62Å; W85-L105 HydrophobicContact CD2-CD2 3.88Å; W85-L105 HydrophobicContact CD2-CG 4.35Å; W85-L105 HydrophobicContact CE3-CB 3.82Å; W85-L105 HydrophobicContact CE3-CD2 3.56Å; W85-L105 HydrophobicContact CE3-CG 4.34Å; W85-L105 HydrophobicContact CG-CB 4.12Å; W85-L105 HydrophobicContact CG-CD2 4.16Å; W85-L105 HydrophobicContact CH2-CB 4.07Å; W85-L105 HydrophobicContact CZ2-CB 3.89Å; W85-L105 HydrophobicContact CZ3-CB 4.03Å; W85-L105 HydrophobicContact CZ3-CD2 4.19Å; L92-L105 HydrophobicContact CD1-CD1 4.38Å; L92-L105 HydrophobicContact CD1-CD2 3.58Å; T98-L105 HydrophobicContact CG2-CD1 3.66Å; V100-L105 HydrophobicContact CB-CD1 4.34Å; V100-L105 HydrophobicContact CG1-CD1 4.49Å; V100-L105 HydrophobicContact CG2-CD1 3.82Å; L105-Y118 HydrophobicContact CD2-CD1 3.72Å; L105-Y118 HydrophobicContact CD2-CE1 4.2Å |
| 106 | R | 86.3 | Confident | 81.3 | Confident | 107 Ų | 107 | 67.6 Ų | 67.6 | 40% | 0.404 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 128.6 | -179.9 | -168.3 | 179.1 | -176.6 | 139.5 | -7.4 | 111.1 | T69 L70 E71 T98 R99 I108 | T69-R106 HydrophobicContact CG2-CG 4.03Å; L70-R106 CarbonylContact O-C 3.45Å; L70-R106 VanDerWaalsContact O-CA 3.26Å; L70-R106 WeakPolarHBondContact O-CA 3.29Å; E71-R106 HydrophobicContact CB-CB 4.45Å; E71-R106 HydrophobicContact CB-CG 4.17Å; E71-R106 HydrophobicContact CG-CB 4.18Å; E71-R106 HydrophobicContact CG-CG 4.3Å; E71-R106 VanDerWaalsContact OE2-CD 3.25Å; E71-R106 WeakPolarHBondContact OE2-CD 3.26Å; E71-R106 IonicContact OE2-CZ 3.41Å; E71-R106 IonicContact OE2-NE 3.53Å; E71-R106 IonicContact OE2-NH1 2.74Å; E71-R106 PolarHBondContact OE2-NH1 3.26Å; T98-R106 CarbonylContact C-O 3.5Å; T98-R106 WeakPolarHBondContact CA-O 3.39Å; R99-R106 PolarHBondContact N-O 2.78Å; R99-R106 PolarHBondContact O-N 3.17Å; R106-I108 HydrophobicContact CG-CG1 4.33Å |
| 107 | I | 87.5 | Confident | 81.8 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 118.6 | 175.3 | -55.7 | 174.5 | 0 | 0 | 0 | 107.4 | T69 L70 T98 V110 Y118 | T69-I107 CarbonylContact C-O 3.59Å; T69-I107 WeakPolarHBondContact CA-O 3.46Å; L70-I107 PolarHBondContact N-O 2.97Å; L70-I107 PolarHBondContact O-N 3.4Å; T98-I107 HydrophobicContact CG2-CG1 4.13Å; I107-V110 HydrophobicContact CB-CG2 4.17Å; I107-V110 HydrophobicContact CG2-CG2 3.85Å; I107-Y118 HydrophobicContact CD1-CE1 3.68Å |
| 108 | I | 81.6 | Confident | 82.2 | Confident | 56 Ų | 56 | 58.2 Ų | 58.2 | 29% | 0.287 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -102.1 | 133.2 | -176.4 | -54 | 169.6 | 0 | 0 | 0 | 108.6 | T69 R97 R106 | T69-I108 HydrophobicContact CG2-CB 4.46Å; T69-I108 HydrophobicContact CG2-CG1 4.03Å; R97-I108 WeakPolarHBondContact CB-O 3.23Å; R97-I108 PolarHBondContact O-N 2.8Å; R106-I108 HydrophobicContact CG-CG1 4.33Å |
| 109 | N | 79.4 | Confident | 82.4 | Confident | 96 Ų | 96 | 57.6 Ų | 57.6 | 51% | 0.513 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 57.9 | 70.7 | -175.8 | -171.2 | -2.4 | 0 | 0 | 0 | 110.6 | G67 D68 R97 | G67-N109 WeakPolarHBondContact CA-OD1 3.38Å; D68-N109 WeakPolarHBondContact O-CA 3.25Å; D68-N109 PolarHBondContact O-N 2.03Å; R97-N109 PolarHBondContact NH1-O 2.9Å |
| 110 | V | 82.8 | Confident | 82.6 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | trans | -66.4 | 134.3 | -179.4 | 167.8 | 0 | 0 | 0 | 0 | 110.3 | L64 G67 D68 L70 I107 D114 V136 | L64-V110 HydrophobicContact CD1-CG1 4.34Å; L64-V110 HydrophobicContact CD1-CG2 4.42Å; G67-V110 PolarHBondContact N-O 2.71Å; D68-V110 WeakPolarHBondContact O-CB 3.19Å; D68-V110 WeakPolarHBondContact O-CG2 3.41Å; D68-V110 PolarHBondContact O-N 2.86Å; L70-V110 HydrophobicContact CB-CG2 4.19Å; I107-V110 HydrophobicContact CB-CG2 4.17Å; I107-V110 HydrophobicContact CG2-CG2 3.85Å; V110-D114 HydrophobicContact CG1-CB 4.32Å; V110-V136 HydrophobicContact CG1-CG1 4.43Å; V110-V136 HydrophobicContact CG1-CG2 3.43Å; V110-V136 VanDerWaalsContact CG1-CG2 3.43Å | ||
| 111 | S | 81.6 | Confident | 82.7 | Confident | 29 Ų | 29 | 51 Ų | 51 | 20% | 0.203 | 26% | 0.256 | C | S | . | . | trans | -124.6 | 167.7 | -178.1 | 69.8 | 0 | 0 | 0 | 0 | 110.9 | E113 D114 | S111-E113 PolarHBondContact O-N 2.72Å; S111-E113 VanDerWaalsContact O-N 3.13Å; S111-D114 WeakPolarHBondContact CB-OD2 3.03Å; S111-D114 PolarHBondContact N-OD2 3.19Å; S111-D114 WeakPolarHBondContact O-CB 3.48Å; S111-D114 PolarHBondContact O-N 2.82Å; S111-D114 PolarHBondContact OG-OD2 2.8Å | ||
| 112 | Y | 80.1 | Confident | 83 | Confident | 106 Ų | 106 | 50.4 Ų | 50.4 | 42% | 0.416 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -51.1 | -37.5 | 175.1 | -79.9 | -63.9 | 0 | 0 | 0 | 114 | M66 D114 S115 V136 D138 | M66-Y112 HydrophobicContact CE-CE2 3.9Å; M66-Y112 HydrophobicContact CG-CD2 4.28Å; M66-Y112 HydrophobicContact CG-CE2 3.99Å; M66-Y112 HydrophobicContact SD-CD2 3.5Å; M66-Y112 WeakPolarHBondContact SD-CD2 3.38Å; M66-Y112 HydrophobicContact SD-CE2 3.34Å; M66-Y112 WeakPolarHBondContact SD-CE2 3.32Å; Y112-D114 PolarHBondContact O-N 2.89Å; Y112-S115 WeakPolarHBondContact O-CB 3.16Å; Y112-S115 PolarHBondContact O-N 2.85Å; Y112-S115 VanDerWaalsContact O-N 3.14Å; Y112-S115 PolarHBondContact O-OG 2.61Å; Y112-S115 VanDerWaalsContact O-OG 3.11Å; Y112-V136 HydrophobicContact CD1-CB 4.22Å; Y112-V136 HydrophobicContact CD1-CG1 4.4Å; Y112-V136 HydrophobicContact CE1-CB 4.45Å; Y112-V136 HydrophobicContact CE1-CG1 4.44Å; Y112-V136 WeakPolarHBondContact CE1-O 3.31Å; Y112-D138 PolarHBondContact OH-OD1 3.02Å; Y112-D138 VanDerWaalsContact OH-OD1 3.06Å; Y112-D138 PolarHBondContact OH-OD2 3.17Å |
| 113 | E | 79.5 | Confident | 83.1 | Confident | 158 Ų | 158 | 45.1 Ų | 45.1 | 74% | 0.738 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -62.8 | -20.5 | 177.8 | -61.3 | -175.1 | 174.1 | 0 | 0 | 113.3 | K87 S111 | K87-E113 PolarHBondContact NZ-O 2.8Å; S111-E113 PolarHBondContact O-N 2.72Å; S111-E113 VanDerWaalsContact O-N 3.13Å |
| 114 | D | 82.3 | Confident | 83.1 | Confident | 12 Ų | 12 | 48 Ų | 48 | 6% | 0.064 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -86.7 | -6.1 | 179.6 | -54.1 | -64.2 | 0 | 0 | 0 | 112.8 | R97 V110 S111 Y112 Y118 | R97-D114 IonicContact CZ-OD1 3.32Å; R97-D114 IonicContact CZ-OD2 2.71Å; R97-D114 IonicContact NH1-OD1 2.8Å; R97-D114 IonicContact NH1-OD2 3.02Å; R97-D114 PolarHBondContact NH1-OD2 3.45Å; R97-D114 IonicContact NH2-OD1 2.67Å; R97-D114 PolarHBondContact NH2-OD1 2.96Å; R97-D114 IonicContact NH2-OD2 3.74Å; R97-D114 PolarHBondContact NH2-OD2 3.44Å; R97-D114 VanDerWaalsContact NH2-OD2 3.17Å; V110-D114 HydrophobicContact CG1-CB 4.32Å; S111-D114 WeakPolarHBondContact CB-OD2 3.03Å; S111-D114 PolarHBondContact N-OD2 3.19Å; S111-D114 WeakPolarHBondContact O-CB 3.48Å; S111-D114 PolarHBondContact O-N 2.82Å; S111-D114 PolarHBondContact OG-OD2 2.8Å; Y112-D114 PolarHBondContact O-N 2.89Å; D114-Y118 WeakPolarHBondContact O-CE2 3.41Å; D114-Y118 PolarHBondContact O-OH 3.14Å |
| 115 | S | 85.1 | Confident | 82.6 | Confident | 37 Ų | 37 | 49.3 Ų | 49.3 | 26% | 0.259 | 25% | 0.254 | S | S | . | . | trans | -60.9 | 145.3 | 168.3 | -55 | 0 | 0 | 0 | 0 | 110.7 | K87 Y112 I134 V136 | K87-S115 WeakPolarHBondContact CE-O 3.5Å; K87-S115 PolarHBondContact NZ-O 2.81Å; Y112-S115 WeakPolarHBondContact O-CB 3.16Å; Y112-S115 PolarHBondContact O-N 2.85Å; Y112-S115 VanDerWaalsContact O-N 3.14Å; Y112-S115 PolarHBondContact O-OG 2.61Å; Y112-S115 VanDerWaalsContact O-OG 3.11Å; S115-I134 WeakPolarHBondContact CA-O 3.34Å; S115-V136 PolarHBondContact OG-N 2.81Å | ||
| 116 | G | 84.3 | Confident | 82 | Confident | 16 Ų | 16 | 53.6 Ų | 53.6 | 17% | 0.165 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.7 | -173.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I134 | G116-I134 PolarHBondContact N-O 3.37Å; G116-I134 VanDerWaalsContact N-O 3.13Å; G116-I134 PolarHBondContact O-N 3.06Å |
| 117 | V | 86.6 | Confident | 81.6 | Confident | 55 Ų | 55 | 51.7 Ų | 51.7 | 33% | 0.333 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 117.1 | -177.9 | -177.5 | 0 | 0 | 0 | 0 | 110 | K87 D88 N131 Y132 T133 | K87-V117 CarbonylContact C-O 3.57Å; D88-V117 PolarHBondContact N-O 2.91Å; D88-V117 PolarHBondContact OD1-N 3.24Å; V117-N131 WeakPolarHBondContact CG1-OD1 3.46Å; V117-Y132 CarbonylContact C-O 3.47Å; V117-Y132 WeakPolarHBondContact CA-O 3.34Å; V117-T133 HydrophobicContact CG2-CG2 4.46Å |
| 118 | Y | 88.6 | Confident | 81.2 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 129.9 | -177.1 | -71.4 | -112.6 | 0 | 0 | 0 | 110.2 | M72 F86 K87 L92 L105 I107 D114 N131 Y132 I134 | M72-Y118 HydrophobicContact CE-CD1 3.94Å; M72-Y118 HydrophobicContact CE-CG 4.07Å; F86-Y118 CarbonylContact O-C 3.47Å; F86-Y118 VanDerWaalsContact O-CA 3.29Å; F86-Y118 WeakPolarHBondContact O-CA 3.46Å; K87-Y118 HydrophobicContact CB-CD1 4Å; K87-Y118 HydrophobicContact CB-CE1 3.79Å; K87-Y118 HydrophobicContact CB-CE2 4.36Å; K87-Y118 HydrophobicContact CB-CG 4.42Å; K87-Y118 HydrophobicContact CD-CE1 4.1Å; K87-Y118 HydrophobicContact CD-CE2 3.86Å; K87-Y118 VanDerWaalsContact CD-OH 3.31Å; K87-Y118 WeakPolarHBondContact CD-OH 3.34Å; K87-Y118 WeakPolarHBondContact CE-OH 3.31Å; K87-Y118 HydrophobicContact CG-CD1 4.29Å; K87-Y118 HydrophobicContact CG-CD2 4.07Å; K87-Y118 HydrophobicContact CG-CE1 3.89Å; K87-Y118 HydrophobicContact CG-CE2 3.62Å; K87-Y118 HydrophobicContact CG-CG 4.4Å; L92-Y118 HydrophobicContact CD1-CD1 3.7Å; L92-Y118 HydrophobicContact CD1-CE1 3.71Å; L105-Y118 HydrophobicContact CD2-CD1 3.72Å; L105-Y118 HydrophobicContact CD2-CE1 4.2Å; I107-Y118 HydrophobicContact CD1-CE1 3.68Å; D114-Y118 WeakPolarHBondContact O-CE2 3.41Å; D114-Y118 PolarHBondContact O-OH 3.14Å; Y118-N131 PolarHBondContact O-OD1 2.83Å; Y118-Y132 PolarHBondContact N-O 2.95Å; Y118-Y132 WeakPolarHBondContact O-CD2 3.33Å; Y118-Y132 PolarHBondContact O-N 2.92Å; Y118-I134 HydrophobicContact CD2-CD1 3.49Å; Y118-I134 VanDerWaalsContact CD2-CD1 3.49Å; Y118-I134 HydrophobicContact CD2-CG1 4.31Å; Y118-I134 HydrophobicContact CE2-CD1 3.56Å; Y118-I134 HydrophobicContact CG-CD1 4.08Å |
| 119 | T | 86.8 | Confident | 81.1 | Confident | 10 Ų | 10 | 54.8 Ų | 54.8 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 136 | 179 | 57.9 | 0 | 0 | 0 | 0 | 111.1 | W85 F86 R121 L128 K130 N131 | W85-T119 WeakPolarHBondContact CA-O 3.41Å; F86-T119 PolarHBondContact N-O 3.34Å; F86-T119 PolarHBondContact O-N 3.28Å; T119-R121 PolarHBondContact OG1-NE 2.64Å; T119-L128 VanDerWaalsContact CB-CD1 3.49Å; T119-L128 HydrophobicContact CG2-CD1 3.54Å; T119-K130 WeakPolarHBondContact CA-O 3.23Å; T119-N131 HydrophobicContact CG2-CB 4.22Å; T119-N131 WeakPolarHBondContact CG2-OD1 3.29Å |
| 120 | C | 86.9 | Confident | 81.2 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 136 | 166 | 63.8 | 0 | 0 | 0 | 0 | 109.8 | C74 I83 W85 L129 K130 | C74-C120 HydrophobicContact CB-CB 3.54Å; C74-C120 WeakPolarHBondContact CB-SG 3.32Å; C74-C120 WeakPolarHBondContact SG-CB 3.38Å; C74-C120 CovalentContact SG-SG 2.03Å; C74-C120 PolarHBondContact SG-SG 3.37Å; I83-C120 HydrophobicContact CG2-CB 3.77Å; W85-C120 HydrophobicContact CD2-CB 3.84Å; W85-C120 HydrophobicContact CE3-CB 3.74Å; W85-C120 HydrophobicContact CH2-CB 3.93Å; W85-C120 HydrophobicContact CZ2-CB 4Å; W85-C120 HydrophobicContact CZ3-CB 3.8Å; C120-L129 PolarHBondContact O-N 3.35Å; C120-K130 PolarHBondContact N-O 2.95Å; C120-K130 PolarHBondContact SG-N 3.34Å; C120-K130 VanDerWaalsContact SG-N 3.4Å |
| 121 | R | 84.6 | Confident | 81.3 | Confident | 59 Ų | 59 | 54.2 Ų | 54.2 | 22% | 0.223 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 150.4 | -174.9 | -50.6 | -170.4 | -178.7 | -163.3 | -1.6 | 110.8 | I83 V84 F86 T119 N126 T127 L128 | I83-R121 WeakPolarHBondContact CA-O 3.41Å; V84-R121 PolarHBondContact N-O 3.18Å; V84-R121 PolarHBondContact O-N 2.94Å; F86-R121 HydrophobicContact CD2-CG 4.14Å; F86-R121 HydrophobicContact CE2-CB 4.27Å; F86-R121 HydrophobicContact CE2-CG 4.26Å; T119-R121 PolarHBondContact OG1-NE 2.64Å; R121-N126 WeakPolarHBondContact CD-OD1 3.35Å; R121-N126 PolarHBondContact NH1-OD1 3.14Å; R121-T127 VanDerWaalsContact CA-O 3.3Å; R121-T127 WeakPolarHBondContact CA-O 3.45Å; R121-L128 HydrophobicContact CG-CD1 4.42Å |
| 122 | L | 82 | Confident | 81.5 | Confident | 18 Ų | 18 | 52.9 Ų | 52.9 | 9% | 0.094 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 135.1 | 172.1 | -72.3 | 179.4 | 0 | 0 | 0 | 110.7 | E81 I83 H124 T125 N126 T127 L129 | E81-L122 HydrophobicContact CB-CD2 3.93Å; I83-L122 HydrophobicContact CG1-CD2 4.32Å; L122-H124 VanDerWaalsContact C-N 3.3Å; L122-H124 PolarHBondContact O-N 3.13Å; L122-T125 WeakPolarHBondContact CB-OG1 3.48Å; L122-N126 VanDerWaalsContact O-CA 3.26Å; L122-N126 WeakPolarHBondContact O-CA 3.45Å; L122-N126 PolarHBondContact O-N 3.11Å; L122-T127 PolarHBondContact N-O 3.2Å; L122-L129 HydrophobicContact CD1-CD2 4.42Å; L122-L129 HydrophobicContact CD2-CD1 3.89Å; L122-L129 HydrophobicContact CG-CD1 3.97Å; L122-L129 HydrophobicContact CG-CD2 4.1Å; L122-L129 HydrophobicContact CG-CG 4.22Å |
| 123 | A | 75 | Confident | 81.7 | Confident | 46 Ų | 46 | 49.1 Ų | 49.1 | 38% | 0.38 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -34.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P82 V84 | P82-A123 HydrophobicContact CB-CB 4.46Å; P82-A123 HydrophobicContact CG-CB 3.95Å; P82-A123 VanDerWaalsContact O-CB 3.29Å; P82-A123 WeakPolarHBondContact O-CB 3.49Å; P82-A123 PolarHBondContact O-N 2.89Å; V84-A123 HydrophobicContact CG2-CB 3.72Å |
| 124 | H | 74.2 | Confident | 81.9 | Confident | 144 Ų | 144 | 41.8 Ų | 41.8 | 67% | 0.667 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -39.5 | -173.2 | -57.6 | 105.4 | 0 | 0 | 0 | 113.4 | E81 L122 | E81-H124 IonicContact OE2-ND1 3.55Å; L122-H124 VanDerWaalsContact C-N 3.3Å; L122-H124 PolarHBondContact O-N 3.13Å |
| 125 | T | 74.3 | Confident | 81.9 | Confident | 79 Ų | 79 | 48.7 Ų | 48.7 | 49% | 0.485 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -11.9 | -176.1 | 59.5 | 0 | 0 | 0 | 0 | 113.4 | L122 T127 | L122-T125 WeakPolarHBondContact CB-OG1 3.48Å; T125-T127 PolarHBondContact O-N 2.67Å; T125-T127 PolarHBondContact OG1-OG1 3.13Å |
| 126 | N | 72.3 | Confident | 81.8 | Confident | 90 Ų | 90 | 47.4 Ų | 47.4 | 48% | 0.481 | 25% | 0.248 | S | C | . | . | trans | 54.6 | 17.6 | -176.2 | -159.4 | 11.7 | 0 | 0 | 0 | 114.2 | R121 L122 L128 | R121-N126 WeakPolarHBondContact CD-OD1 3.35Å; R121-N126 PolarHBondContact NH1-OD1 3.14Å; L122-N126 VanDerWaalsContact O-CA 3.26Å; L122-N126 WeakPolarHBondContact O-CA 3.45Å; L122-N126 PolarHBondContact O-N 3.11Å; N126-L128 PolarHBondContact O-N 3.29Å | ||
| 127 | T | 78.1 | Confident | 81.3 | Confident | 68 Ų | 68 | 49.3 Ų | 49.3 | 42% | 0.417 | 26% | 0.256 | S | S | . | . | trans | -66.8 | 128.8 | 177.1 | 54 | 0 | 0 | 0 | 0 | 109.7 | R121 L122 T125 L129 | R121-T127 VanDerWaalsContact CA-O 3.3Å; R121-T127 WeakPolarHBondContact CA-O 3.45Å; L122-T127 PolarHBondContact N-O 3.2Å; T125-T127 PolarHBondContact O-N 2.67Å; T125-T127 PolarHBondContact OG1-OG1 3.13Å; T127-L129 PolarHBondContact O-N 2.82Å | ||
| 128 | L | 80.3 | Confident | 79.7 | Confident | 79 Ų | 79 | 52.2 Ų | 52.2 | 41% | 0.414 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 123.2 | 173.3 | -179.2 | 63.1 | 0 | 0 | 0 | 109.8 | T119 R121 N126 K130 N131 | T119-L128 VanDerWaalsContact CB-CD1 3.49Å; T119-L128 HydrophobicContact CG2-CD1 3.54Å; R121-L128 HydrophobicContact CG-CD1 4.42Å; N126-L128 PolarHBondContact O-N 3.29Å; L128-K130 WeakPolarHBondContact CD1-O 3.47Å; L128-N131 HydrophobicContact CD1-CB 4.48Å; L128-N131 HydrophobicContact CD2-CB 4.41Å |
| 129 | L | 79.3 | Confident | 77.8 | Confident | 43 Ų | 43 | 56.7 Ų | 56.7 | 23% | 0.225 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -50.6 | 179.1 | -67.1 | 176.3 | 0 | 0 | 0 | 111.4 | C74 I83 C120 L122 T127 | C74-L129 VanDerWaalsContact SG-CB 3.55Å; I83-L129 HydrophobicContact CD1-CD1 3.92Å; I83-L129 HydrophobicContact CG1-CD1 3.99Å; I83-L129 HydrophobicContact CG2-CD1 4.3Å; C120-L129 PolarHBondContact O-N 3.35Å; L122-L129 HydrophobicContact CD1-CD2 4.42Å; L122-L129 HydrophobicContact CD2-CD1 3.89Å; L122-L129 HydrophobicContact CG-CD1 3.97Å; L122-L129 HydrophobicContact CG-CD2 4.1Å; L122-L129 HydrophobicContact CG-CG 4.22Å; T127-L129 PolarHBondContact O-N 2.82Å |
| 130 | K | 81.1 | Confident | 75.8 | Confident | 52 Ų | 52 | 62.3 Ų | 62.3 | 23% | 0.226 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 153.4 | 171.3 | -75.8 | -168.8 | 167.6 | -163.1 | 0 | 110.8 | E60 T119 C120 L128 Y132 | E60-K130 WeakPolarHBondContact OE1-CE 3.04Å; E60-K130 IonicContact OE1-NZ 2.72Å; E60-K130 PolarHBondContact OE1-NZ 2.87Å; E60-K130 IonicContact OE2-NZ 3.17Å; E60-K130 PolarHBondContact OE2-NZ 2.92Å; T119-K130 WeakPolarHBondContact CA-O 3.23Å; C120-K130 PolarHBondContact N-O 2.95Å; C120-K130 PolarHBondContact SG-N 3.34Å; C120-K130 VanDerWaalsContact SG-N 3.4Å; L128-K130 WeakPolarHBondContact CD1-O 3.47Å; K130-Y132 HydrophobicContact CB-CE2 3.77Å; K130-Y132 HydrophobicContact CD-CE1 4.41Å; K130-Y132 WeakPolarHBondContact CD-OH 3.42Å |
| 131 | N | 84.8 | Confident | 73.7 | Confident | 33 Ų | 33 | 68.1 Ų | 68.1 | 18% | 0.176 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 135.3 | 175.7 | -170.1 | 19.1 | 0 | 0 | 0 | 110.1 | L59 E60 V117 Y118 T119 L128 | L59-N131 HydrophobicContact CD2-CB 4.12Å; L59-N131 WeakPolarHBondContact CD2-ND2 3.49Å; E60-N131 PolarHBondContact N-O 2.8Å; E60-N131 VanDerWaalsContact N-O 3.14Å; V117-N131 WeakPolarHBondContact CG1-OD1 3.46Å; Y118-N131 PolarHBondContact O-OD1 2.83Å; T119-N131 HydrophobicContact CG2-CB 4.22Å; T119-N131 WeakPolarHBondContact CG2-OD1 3.29Å; L128-N131 HydrophobicContact CD1-CB 4.48Å; L128-N131 HydrophobicContact CD2-CB 4.41Å |
| 132 | Y | 84.8 | Confident | 71.8 | Confident | 1 Ų | 1 | 70.7 Ų | 70.7 | 0% | 0.004 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 134.4 | -174.9 | -57 | -84.4 | 0 | 0 | 0 | 110.6 | E60 F62 M72 S73 W85 V117 Y118 K130 | E60-Y132 HydrophobicContact CB-CD1 3.71Å; E60-Y132 HydrophobicContact CB-CE1 3.97Å; E60-Y132 VanDerWaalsContact O-CA 3.23Å; E60-Y132 WeakPolarHBondContact O-CA 3.34Å; E60-Y132 VanDerWaalsContact OE2-CE1 3.29Å; E60-Y132 WeakPolarHBondContact OE2-CE1 3.5Å; F62-Y132 HydrophobicContact CD2-CD1 4.34Å; F62-Y132 AromaticContact CE2-CD1 3.77Å; F62-Y132 HydrophobicContact CE2-CD1 3.77Å; F62-Y132 HydrophobicContact CE2-CE1 4.19Å; M72-Y132 HydrophobicContact CB-CE1 4.39Å; M72-Y132 HydrophobicContact CB-CE2 4.3Å; M72-Y132 HydrophobicContact CG-CD1 4.27Å; M72-Y132 HydrophobicContact CG-CE1 4.32Å; M72-Y132 HydrophobicContact CG-CG 4.35Å; M72-Y132 HydrophobicContact SD-CD1 4.06Å; M72-Y132 HydrophobicContact SD-CD2 3.78Å; M72-Y132 HydrophobicContact SD-CE2 4.36Å; M72-Y132 HydrophobicContact SD-CG 3.6Å; M72-Y132 VanDerWaalsContact SD-CG 3.6Å; S73-Y132 PolarHBondContact O-OH 2.67Å; W85-Y132 AromaticContact CH2-CE2 3.85Å; W85-Y132 HydrophobicContact CH2-CE2 3.85Å; W85-Y132 HydrophobicContact CZ3-CD2 4.02Å; W85-Y132 AromaticContact CZ3-CE2 3.62Å; W85-Y132 HydrophobicContact CZ3-CE2 3.62Å; V117-Y132 CarbonylContact C-O 3.47Å; V117-Y132 WeakPolarHBondContact CA-O 3.34Å; Y118-Y132 PolarHBondContact N-O 2.95Å; Y118-Y132 WeakPolarHBondContact O-CD2 3.33Å; Y118-Y132 PolarHBondContact O-N 2.92Å; K130-Y132 HydrophobicContact CB-CE2 3.77Å; K130-Y132 HydrophobicContact CD-CE1 4.41Å; K130-Y132 WeakPolarHBondContact CD-OH 3.42Å |
| 133 | T | 84.1 | Confident | 69.7 | Low | 27 Ų | 27 | 73.2 Ų | 73.2 | 17% | 0.166 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.4 | 171.5 | -39.3 | 0 | 0 | 0 | 0 | 109.4 | E60 D61 F62 V117 | E60-T133 PolarHBondContact O-N 3.16Å; E60-T133 VanDerWaalsContact O-N 3.16Å; D61-T133 CarbonylContact C-O 3.55Å; D61-T133 WeakPolarHBondContact CA-O 3.31Å; D61-T133 WeakPolarHBondContact OD1-CB 3.1Å; D61-T133 PolarHBondContact OD1-OG1 3.45Å; F62-T133 PolarHBondContact N-O 2.86Å; V117-T133 HydrophobicContact CG2-CG2 4.46Å |
| 134 | I | 84.5 | Confident | 68.3 | Low | 4 Ų | 4 | 78.8 Ų | 78.8 | 2% | 0.021 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 131.6 | 178.5 | -59.9 | 162.4 | 0 | 0 | 0 | 110 | F62 L64 L70 M72 S115 G116 Y118 V136 | F62-I134 HydrophobicContact CB-CG1 4.3Å; F62-I134 WeakPolarHBondContact O-CA 3.47Å; L64-I134 HydrophobicContact CD1-CG2 4.29Å; L70-I134 HydrophobicContact CD2-CD1 3.2Å; L70-I134 HydrophobicContact CD2-CG1 3.76Å; M72-I134 HydrophobicContact CE-CD1 3.87Å; M72-I134 HydrophobicContact SD-CD1 4.08Å; S115-I134 WeakPolarHBondContact CA-O 3.34Å; G116-I134 PolarHBondContact N-O 3.37Å; G116-I134 VanDerWaalsContact N-O 3.13Å; G116-I134 PolarHBondContact O-N 3.06Å; Y118-I134 HydrophobicContact CD2-CD1 3.49Å; Y118-I134 VanDerWaalsContact CD2-CD1 3.49Å; Y118-I134 HydrophobicContact CD2-CG1 4.31Å; Y118-I134 HydrophobicContact CE2-CD1 3.56Å; Y118-I134 HydrophobicContact CG-CD1 4.08Å; I134-V136 HydrophobicContact CG2-CG2 4.42Å |
| 135 | R | 82.2 | Confident | 66.9 | Low | 158 Ų | 158 | 79.5 Ų | 79.5 | 60% | 0.596 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 124.3 | 173.2 | -58.1 | -175.8 | -173.8 | -163.3 | 3.2 | 110.3 | F62 I63 L64 | F62-R135 PolarHBondContact O-N 2.76Å; I63-R135 WeakPolarHBondContact CA-O 3.45Å; L64-R135 PolarHBondContact N-O 2.9Å |
| 136 | V | 83.1 | Confident | 65.3 | Low | 10 Ų | 10 | 83.9 Ų | 83.9 | 6% | 0.061 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 137.7 | 178.4 | -175 | 0 | 0 | 0 | 0 | 110.2 | L64 M66 V110 Y112 S115 I134 | L64-V136 CarbonylContact O-C 3.26Å; L64-V136 VanDerWaalsContact O-CA 3.31Å; L64-V136 WeakPolarHBondContact O-CA 3.34Å; M66-V136 HydrophobicContact CG-CG1 3.82Å; V110-V136 HydrophobicContact CG1-CG1 4.43Å; V110-V136 HydrophobicContact CG1-CG2 3.43Å; V110-V136 VanDerWaalsContact CG1-CG2 3.43Å; Y112-V136 HydrophobicContact CD1-CB 4.22Å; Y112-V136 HydrophobicContact CD1-CG1 4.4Å; Y112-V136 HydrophobicContact CE1-CB 4.45Å; Y112-V136 HydrophobicContact CE1-CG1 4.44Å; Y112-V136 WeakPolarHBondContact CE1-O 3.31Å; S115-V136 PolarHBondContact OG-N 2.81Å; I134-V136 HydrophobicContact CG2-CG2 4.42Å |
| 137 | T | 73.4 | Confident | 64.2 | Low | 55 Ų | 55 | 87.5 Ų | 87.5 | 34% | 0.337 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 157.5 | -178 | 63.5 | 0 | 0 | 0 | 0 | 112.4 | I63 L64 G65 S139 | I63-T137 HydrophobicContact CG2-CG2 4.21Å; L64-T137 PolarHBondContact O-N 3.16Å; G65-T137 WeakPolarHBondContact CA-O 3.01Å; T137-S139 VanDerWaalsContact C-N 3.29Å; T137-S139 PolarHBondContact O-N 3.18Å |
| 138 | D | 54.3 | Low | 62.4 | Low | 116 Ų | 116 | 93.4 Ų | 93.4 | 62% | 0.62 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -83.2 | 13.3 | -172.4 | -98 | -19.7 | 0 | 0 | 0 | 114.5 | M66 Y112 | M66-D138 WeakPolarHBondContact CE-OD1 3.26Å; Y112-D138 PolarHBondContact OH-OD1 3.02Å; Y112-D138 VanDerWaalsContact OH-OD1 3.06Å; Y112-D138 PolarHBondContact OH-OD2 3.17Å |
| 139 | S | 47.6 | Very low | 61 | Low | 99 Ų | 99 | 98 Ų | 98 | 69% | 0.692 | 54% | 0.537 | S | S | * | . | trans | -155.9 | 86.3 | -167.5 | -59.5 | 0 | 0 | 0 | 0 | 114.9 | T137 | T137-S139 VanDerWaalsContact C-N 3.29Å; T137-S139 PolarHBondContact O-N 3.18Å | ||
| 140 | L | 46 | Very low | 59.3 | Low | 127 Ų | 127 | 104.5 Ų | 104.5 | 67% | 0.665 | 57% | 0.566 | S | S | * | * | trans | -128.2 | 127.1 | 148.9 | -74.7 | 174.5 | 0 | 0 | 0 | 108.5 | ||||
| 141 | S | 41.5 | Very low | 57.8 | Low | 123 Ų | 123 | 108.4 Ų | 108.4 | 86% | 0.86 | 59% | 0.589 | S | S | * | * | trans | -73.1 | 125.3 | 174.2 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 142 | S | 45.9 | Very low | 56.3 | Low | 112 Ų | 112 | 112.3 Ų | 112.3 | 78% | 0.783 | 62% | 0.617 | S | S | * | * | trans | -61.6 | 134 | 176.6 | 55.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 143 | G | 37.1 | Very low | 54.9 | Low | 72 Ų | 72 | 120.7 Ų | 120.7 | 74% | 0.742 | 66% | 0.656 | S | S | * | * | trans | -155.8 | 96.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 144 | D | 45.4 | Very low | 53.8 | Low | 163 Ų | 163 | 125.8 Ų | 125.8 | 87% | 0.872 | 68% | 0.682 | S | S | * | * | trans | -65.2 | 152.6 | 178.2 | -71.3 | -53.3 | 0 | 0 | 0 | 111.1 | ||||
| 145 | D | 44 | Very low | 53.1 | Low | 158 Ų | 158 | 127.8 Ų | 127.8 | 85% | 0.845 | 70% | 0.699 | S | S | * | * | trans | -66.6 | 131.1 | 172.1 | -54.4 | -64 | 0 | 0 | 0 | 111.1 | ||||
| 146 | E | 41.6 | Very low | 53 | Low | 172 Ų | 172 | 125.2 Ų | 125.2 | 80% | 0.804 | 69% | 0.694 | S | S | * | * | trans | -120.5 | 130.3 | 143.1 | -79.3 | -160.2 | -173.6 | 0 | 0 | 108.5 | Y148 | E146-Y148 PolarHBondContact O-N 3.17Š| ||
| 147 | D | 49.4 | Very low | 53.2 | Low | 165 Ų | 165 | 127 Ų | 127 | 88% | 0.882 | 71% | 0.71 | S | S | * | * | trans | -60 | 114.2 | -177 | -65 | -58.9 | 0 | 0 | 0 | 111.5 | ||||
| 148 | Y | 40.9 | Very low | 54.1 | Low | 193 Ų | 193 | 124.9 Ų | 124.9 | 76% | 0.757 | 70% | 0.697 | S | S | * | * | trans | -125.8 | 118.3 | 156.9 | -80.4 | -83.3 | 0 | 0 | 0 | 109.1 | E146 E150 | E146-Y148 PolarHBondContact O-N 3.17Å; Y148-E150 VanDerWaalsContact C-N 3.27Å; Y148-E150 PolarHBondContact O-N 3.06Å | ||
| 149 | D | 49.8 | Very low | 55.8 | Low | 176 Ų | 176 | 123.3 Ų | 123.3 | 94% | 0.941 | 69% | 0.685 | S | S | * | * | trans | -64.2 | 88.4 | 163.3 | -71.9 | -61.9 | 0 | 0 | 0 | 108.5 | ||||
| 150 | E | 42.9 | Very low | 57.9 | Low | 178 Ų | 178 | 121.2 Ų | 121.2 | 83% | 0.832 | 66% | 0.662 | S | S | * | * | trans | -89.7 | 130.6 | 166.4 | -74 | -166.5 | 151.7 | 0 | 0 | 110.5 | Y148 | Y148-E150 VanDerWaalsContact C-N 3.27Å; Y148-E150 PolarHBondContact O-N 3.06Å | ||
| 151 | D | 50.1 | Low | 59.9 | Low | 135 Ų | 135 | 117.9 Ų | 117.9 | 72% | 0.722 | 65% | 0.647 | S | S | * | * | trans | -59 | 154.1 | -176.7 | -91 | -61.6 | 0 | 0 | 0 | 113 | E153 | D151-E153 HydrophobicContact CB-CG 4.18Å; D151-E153 PolarHBondContact O-N 3.28Å | ||
| 152 | P | 53.9 | Low | 61.9 | Low | 115 Ų | 115 | 114.9 Ų | 114.9 | 75% | 0.747 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -79.1 | 49.5 | -174.4 | 35.5 | -38.6 | 0 | 0 | 0 | 113.3 | ||
| 153 | E | 54.8 | Low | 63.7 | Low | 177 Ų | 177 | 112.7 Ų | 112.7 | 83% | 0.827 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -29 | -173.7 | -62.6 | -152.1 | 138.4 | 0 | 0 | 114 | D151 | D151-E153 HydrophobicContact CB-CG 4.18Å; D151-E153 PolarHBondContact O-N 3.28Å |
| 154 | D | 62 | Low | 65.6 | Low | 133 Ų | 133 | 114.2 Ų | 114.2 | 71% | 0.711 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | 29.3 | -174.5 | -82.3 | -25.5 | 0 | 0 | 0 | 115.2 | E156 N188 | D154-E156 PolarHBondContact O-N 3.24Å; D154-N188 VanDerWaalsContact O-CB 3.31Å; D154-N188 WeakPolarHBondContact O-CB 3.44Å; D154-N188 PolarHBondContact O-ND2 3.44Å |
| 155 | A | 69.4 | Low | 67 | Low | 46 Ų | 46 | 111 Ų | 111 | 38% | 0.38 | 56% | 0.564 | S | S | . | * | trans | -79.3 | 79.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y241 | A155-Y241 HydrophobicContact CB-CD2 4.38Å; A155-Y241 HydrophobicContact CB-CE1 4.48Å; A155-Y241 HydrophobicContact CB-CE2 3.74Å | ||
| 156 | E | 79.9 | Confident | 68.8 | Low | 104 Ų | 104 | 103.6 Ų | 103.6 | 49% | 0.486 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -89.4 | 128.7 | -175.1 | -97.6 | -168.5 | 148 | 0 | 0 | 116.2 | D154 F159 N188 N239 | D154-E156 PolarHBondContact O-N 3.24Å; E156-F159 WeakPolarHBondContact OE2-CE1 2.92Å; E156-N188 HydrophobicContact CB-CB 4.34Å; E156-N188 PolarHBondContact N-O 3.06Å; E156-N188 CarbonylContact O-C 3.55Å; E156-N188 PolarHBondContact O-N 2.81Å; E156-N188 VanDerWaalsContact O-O 3.06Å; E156-N239 PolarHBondContact O-ND2 2.84Å |
| 157 | A | 88 | Confident | 70.4 | Confident | 49 Ų | 49 | 101.1 Ų | 101.1 | 41% | 0.405 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -68 | 153.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 158 | P | 91.6 | Very high | 71.5 | Confident | 9 Ų | 9 | 100.7 Ų | 100.7 | 6% | 0.058 | 51% | 0.507 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 139.3 | -171.1 | 28.6 | -34.6 | 0 | 0 | 0 | 111.7 | D186 P191 V237 N239 G242 I244 | P158-D186 CarbonylContact C-O 3.57Å; P158-D186 VanDerWaalsContact CA-O 3.24Å; P158-D186 WeakPolarHBondContact CA-O 3.38Å; P158-P191 HydrophobicContact CB-CB 3.92Å; P158-P191 HydrophobicContact CB-CG 3.9Å; P158-V237 HydrophobicContact CB-CG1 4.24Å; P158-N239 WeakPolarHBondContact CD-OD1 3.41Å; P158-G242 WeakPolarHBondContact CG-O 3.17Å; P158-I244 HydrophobicContact CB-CD1 4.14Å; P158-I244 HydrophobicContact CB-CG1 4.26Å; P158-I244 HydrophobicContact CG-CG1 4.34Å; P158-I244 HydrophobicContact CG-CG2 4.42Å; P158-I244 WeakPolarHBondContact O-CG2 2.91Å |
| 159 | F | 89.8 | Confident | 73.4 | Confident | 83 Ų | 83 | 98 Ų | 98 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 160.6 | 175.7 | 66.3 | -87.4 | 0 | 0 | 0 | 112 | E156 T161 A185 D186 | E156-F159 WeakPolarHBondContact OE2-CE1 2.92Å; F159-T161 HydrophobicContact CD2-CG2 4.45Å; F159-T161 HydrophobicContact CE2-CG2 3.84Å; F159-T161 HydrophobicContact CZ-CG2 4.39Å; F159-A185 CarbonylContact O-C 3.5Å; F159-A185 WeakPolarHBondContact O-CA 3.5Å; F159-A185 WeakPolarHBondContact O-CB 3.25Å; F159-D186 HydrophobicContact CE1-CB 4.32Å; F159-D186 HydrophobicContact CZ-CB 4.09Å; F159-D186 PolarHBondContact N-O 2.89Å; F159-D186 PolarHBondContact O-N 3.09Å |
| 160 | W | 91.7 | Very high | 75.1 | Confident | 56 Ų | 56 | 94.3 Ų | 94.3 | 21% | 0.212 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 119.3 | 176.1 | -58.4 | 119.2 | 0 | 0 | 0 | 110.3 | K162 P163 M166 C183 A184 A185 V237 I244 H246 | W160-K162 VanDerWaalsContact C-N 3.34Å; W160-P163 HydrophobicContact CB-CB 4.27Å; W160-M166 HydrophobicContact CB-SD 4.47Å; W160-M166 HydrophobicContact CD2-CE 3.81Å; W160-M166 HydrophobicContact CD2-SD 3.95Å; W160-M166 HydrophobicContact CE3-CE 3.81Å; W160-M166 HydrophobicContact CE3-SD 3.91Å; W160-M166 HydrophobicContact CG-CE 4.49Å; W160-M166 HydrophobicContact CG-SD 4.22Å; W160-M166 HydrophobicContact CH2-CE 4.14Å; W160-M166 HydrophobicContact CZ2-CE 4.11Å; W160-M166 HydrophobicContact CZ3-CE 4Å; W160-C183 HydrophobicContact CE3-CB 4.43Å; W160-C183 HydrophobicContact CH2-CB 4.06Å; W160-C183 HydrophobicContact CZ3-CB 3.61Å; W160-A184 WeakPolarHBondContact CA-O 3.41Å; W160-A185 HydrophobicContact CE3-CB 3.84Å; W160-A185 HydrophobicContact CZ3-CB 3.91Å; W160-V237 HydrophobicContact CH2-CB 4.31Å; W160-V237 HydrophobicContact CH2-CG2 3.88Å; W160-V237 HydrophobicContact CZ3-CB 4.41Å; W160-V237 HydrophobicContact CZ3-CG2 3.81Å; W160-I244 HydrophobicContact CD2-CD1 3.59Å; W160-I244 HydrophobicContact CD2-CG1 4.42Å; W160-I244 HydrophobicContact CE3-CD1 3.72Å; W160-I244 HydrophobicContact CG-CD1 4.17Å; W160-I244 HydrophobicContact CH2-CD1 3.86Å; W160-I244 HydrophobicContact CH2-CG1 3.77Å; W160-I244 HydrophobicContact CZ2-CB 3.9Å; W160-I244 HydrophobicContact CZ2-CD1 3.74Å; W160-I244 HydrophobicContact CZ2-CG1 3.62Å; W160-I244 HydrophobicContact CZ3-CD1 3.84Å; W160-I244 HydrophobicContact CZ3-CG1 4.22Å; W160-H246 HydrophobicContact CH2-CB 4.37Å; W160-H246 HydrophobicContact CZ2-CB 3.87Å |
| 161 | T | 87.3 | Confident | 77 | Confident | 57 Ų | 57 | 87.7 Ų | 87.7 | 35% | 0.35 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -77.6 | -21.8 | 177.1 | 48.8 | 0 | 0 | 0 | 0 | 113.3 | F159 A184 D186 | F159-T161 HydrophobicContact CD2-CG2 4.45Å; F159-T161 HydrophobicContact CE2-CG2 3.84Å; F159-T161 HydrophobicContact CZ-CG2 4.39Å; T161-A184 PolarHBondContact N-O 2.95Å; T161-A184 PolarHBondContact OG1-O 2.83Å; T161-D186 HydrophobicContact CG2-CB 3.43Å; T161-D186 VanDerWaalsContact CG2-CB 3.43Å |
| 162 | K | 84.4 | Confident | 78.5 | Confident | 60 Ų | 60 | 84 Ų | 84 | 26% | 0.261 | 44% | 0.437 | S | S | . | . | trans | -141 | 60.5 | -176.5 | -59.7 | -170.4 | -178.2 | -176.6 | 0 | 112.7 | W160 E164 R165 A184 C584 | W160-K162 VanDerWaalsContact C-N 3.34Å; K162-E164 WeakPolarHBondContact CA-OE2 3.45Å; K162-E164 WeakPolarHBondContact CB-OE1 3.42Å; K162-E164 PolarHBondContact O-N 2.92Å; K162-R165 HydrophobicContact CB-CG 4.4Å; K162-R165 PolarHBondContact O-N 3.17Å; K162-A184 HydrophobicContact CB-CB 4.34Å; K162-C584 PolarHBondContact NZ-SG 3Å; K162-C584 VanDerWaalsContact NZ-SG 3.4Å | ||
| 163 | P | 83.8 | Confident | 79.8 | Confident | 65 Ų | 65 | 79.6 Ų | 79.6 | 42% | 0.422 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -61.4 | -28.4 | -177 | 27.3 | -35.1 | 0 | 0 | 0 | 113.2 | W160 R165 M166 D167 | W160-P163 HydrophobicContact CB-CB 4.27Å; P163-R165 PolarHBondContact O-N 2.83Å; P163-R165 VanDerWaalsContact O-N 3.17Å; P163-M166 WeakPolarHBondContact O-CA 3.39Å; P163-M166 VanDerWaalsContact O-CB 3.27Å; P163-M166 WeakPolarHBondContact O-CB 3.27Å; P163-M166 PolarHBondContact O-N 3.19Å; P163-D167 PolarHBondContact O-N 3.47Å |
| 164 | E | 76.5 | Confident | 80.6 | Confident | 104 Ų | 104 | 73.9 Ų | 73.9 | 49% | 0.486 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -62.1 | -24.1 | 177.9 | 79.6 | -63.6 | 160 | 0 | 0 | 112.8 | K162 M166 D167 | K162-E164 WeakPolarHBondContact CA-OE2 3.45Å; K162-E164 WeakPolarHBondContact CB-OE1 3.42Å; K162-E164 PolarHBondContact O-N 2.92Å; E164-M166 PolarHBondContact O-N 3.14Å; E164-D167 WeakPolarHBondContact CA-OD2 3.29Å |
| 165 | R | 75.3 | Confident | 81.3 | Confident | 95 Ų | 95 | 68.6 Ų | 68.6 | 36% | 0.358 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -81.2 | 0.3 | 174 | -65.6 | 172.5 | -172.5 | -148.6 | -13.3 | 112.8 | K162 P163 | K162-R165 HydrophobicContact CB-CG 4.4Å; K162-R165 PolarHBondContact O-N 3.17Å; P163-R165 PolarHBondContact O-N 2.83Å; P163-R165 VanDerWaalsContact O-N 3.17Å |
| 166 | M | 82 | Confident | 81.2 | Confident | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.02 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -8.6 | -173.9 | -48.4 | 176.1 | 57.7 | 0 | 0 | 112.2 | W160 P163 E164 K168 R182 C183 H246 | W160-M166 HydrophobicContact CB-SD 4.47Å; W160-M166 HydrophobicContact CD2-CE 3.81Å; W160-M166 HydrophobicContact CD2-SD 3.95Å; W160-M166 HydrophobicContact CE3-CE 3.81Å; W160-M166 HydrophobicContact CE3-SD 3.91Å; W160-M166 HydrophobicContact CG-CE 4.49Å; W160-M166 HydrophobicContact CG-SD 4.22Å; W160-M166 HydrophobicContact CH2-CE 4.14Å; W160-M166 HydrophobicContact CZ2-CE 4.11Å; W160-M166 HydrophobicContact CZ3-CE 4Å; P163-M166 WeakPolarHBondContact O-CA 3.39Å; P163-M166 VanDerWaalsContact O-CB 3.27Å; P163-M166 WeakPolarHBondContact O-CB 3.27Å; P163-M166 PolarHBondContact O-N 3.19Å; E164-M166 PolarHBondContact O-N 3.14Å; M166-K168 PolarHBondContact O-N 2.88Å; M166-K168 VanDerWaalsContact O-N 3.15Å; M166-R182 WeakPolarHBondContact CG-O 3.49Å; M166-C183 HydrophobicContact CE-CB 4.02Å; M166-H246 HydrophobicContact CE-CB 3.34Å; M166-H246 PolarHBondContact O-CE1 3.27Å; M166-H246 PolarHBondContact O-NE2 2.97Å |
| 167 | D | 74.6 | Confident | 81.1 | Confident | 119 Ų | 119 | 67.6 Ų | 67.6 | 64% | 0.636 | 36% | 0.361 | S | S | * | . | trans | -56.2 | -33.4 | -179.6 | -70 | -27.6 | 0 | 0 | 0 | 114.1 | P163 E164 K169 | P163-D167 PolarHBondContact O-N 3.47Å; E164-D167 WeakPolarHBondContact CA-OD2 3.29Å; D167-K169 VanDerWaalsContact C-N 3.29Å; D167-K169 PolarHBondContact O-N 3.46Å | ||
| 168 | K | 73.8 | Confident | 80.7 | Confident | 156 Ų | 156 | 69.3 Ų | 69.3 | 68% | 0.678 | 37% | 0.367 | S | S | * | . | trans | -75.9 | 80.1 | 175.3 | -68.8 | -173.1 | 179 | -179.4 | 0 | 110.7 | M166 L170 L171 Y248 | M166-K168 PolarHBondContact O-N 2.88Å; M166-K168 VanDerWaalsContact O-N 3.15Å; K168-L170 VanDerWaalsContact C-N 3.3Å; K168-L170 PolarHBondContact O-N 3.26Å; K168-L171 WeakPolarHBondContact O-CD1 3.33Å; K168-Y248 WeakPolarHBondContact O-CD1 3.36Å | ||
| 169 | K | 80.3 | Confident | 80.5 | Confident | 136 Ų | 136 | 69.1 Ų | 69.1 | 59% | 0.591 | 37% | 0.365 | S | S | * | . | trans | -65 | -29.6 | 176 | -65.7 | 177.8 | -176.5 | 175.3 | 0 | 113.2 | D167 Y248 Q249 | D167-K169 VanDerWaalsContact C-N 3.29Å; D167-K169 PolarHBondContact O-N 3.46Å; K169-Y248 CarbonylContact O-C 3.55Å; K169-Y248 WeakPolarHBondContact O-CA 3.27Å; K169-Q249 PolarHBondContact O-N 2.88Å | ||
| 170 | L | 84.6 | Confident | 80.4 | Confident | 100 Ų | 100 | 67.2 Ų | 67.2 | 52% | 0.524 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 123.3 | 174.8 | 179.9 | 65.9 | 0 | 0 | 0 | 110.5 | K168 Q249 | K168-L170 VanDerWaalsContact C-N 3.3Å; K168-L170 PolarHBondContact O-N 3.26Å; L170-Q249 HydrophobicContact CD1-CB 3.96Å; L170-Q249 HydrophobicContact CD1-CG 3.67Å |
| 171 | L | 82.6 | Confident | 80.3 | Confident | 38 Ų | 38 | 64.5 Ų | 64.5 | 20% | 0.199 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 106.7 | 170.5 | -82.7 | 75.5 | 0 | 0 | 0 | 108.7 | K168 V179 F181 Y248 Q249 L250 D251 | K168-L171 WeakPolarHBondContact O-CD1 3.33Å; L171-V179 HydrophobicContact CD2-CG1 4.18Å; L171-F181 HydrophobicContact CD2-CD1 4.23Å; L171-F181 HydrophobicContact CD2-CE1 4.01Å; L171-Y248 HydrophobicContact CD1-CD1 3.71Å; L171-Y248 HydrophobicContact CD1-CE1 4.27Å; L171-Q249 PolarHBondContact N-O 3.29Å; L171-L250 HydrophobicContact CB-CD1 4.32Å; L171-D251 PolarHBondContact O-N 2.87Å |
| 172 | A | 82.9 | Confident | 80.3 | Confident | 57 Ų | 57 | 64.3 Ų | 64.3 | 47% | 0.471 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 120.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | D251 L253 | A172-D251 WeakPolarHBondContact CA-O 3.3Å; A172-D251 HydrophobicContact CB-CB 4.46Å; A172-L253 HydrophobicContact CB-CD1 4.15Å; A172-L253 HydrophobicContact CB-CG 4.34Å |
| 173 | V | 80 | Confident | 80.6 | Confident | 23 Ų | 23 | 61.5 Ų | 61.5 | 14% | 0.139 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 141.9 | -175.4 | -62.2 | 0 | 0 | 0 | 0 | 112.2 | V179 A225 L250 D251 V252 L253 | V173-V179 HydrophobicContact CB-CG2 4.39Å; V173-V179 HydrophobicContact CG1-CG2 4.17Å; V173-V179 HydrophobicContact CG2-CG2 3.66Å; V173-A225 HydrophobicContact CG2-CB 4.31Å; V173-L250 HydrophobicContact CG2-CD1 3.84Å; V173-D251 PolarHBondContact N-O 3.44Å; V173-V252 HydrophobicContact CG2-CG2 4.18Å; V173-V252 CarbonylContact O-C 3.55Å; V173-V252 VanDerWaalsContact O-CA 3.29Å; V173-V252 WeakPolarHBondContact O-CA 3.45Å; V173-L253 PolarHBondContact O-N 3.4Å |
| 174 | P | 73.3 | Confident | 80.9 | Confident | 58 Ų | 58 | 59.5 Ų | 59.5 | 38% | 0.377 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 146.4 | 169 | -24.1 | 33.7 | 0 | 0 | 0 | 112.9 | N177 L253 | P174-N177 WeakPolarHBondContact O-CB 3.15Å; P174-N177 PolarHBondContact O-N 2.82Å; P174-L253 CarbonylContact C-O 3.54Å; P174-L253 WeakPolarHBondContact CA-O 3.19Å |
| 175 | A | 75.4 | Confident | 81.5 | Confident | 22 Ų | 22 | 54.7 Ų | 54.7 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 148.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N177 A225 V252 L253 | A175-N177 VanDerWaalsContact C-N 3.27Å; A175-N177 PolarHBondContact O-N 2.8Å; A175-A225 CarbonylContact C-O 3.56Å; A175-A225 WeakPolarHBondContact CA-O 3.48Å; A175-V252 HydrophobicContact CB-CG1 4.17Å; A175-L253 PolarHBondContact N-O 2.9Å |
| 176 | A | 67.4 | Low | 82.1 | Confident | 55 Ų | 55 | 53 Ų | 53 | 46% | 0.455 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69 | -0.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 117 | S224 A225 | A176-S224 WeakPolarHBondContact O-CA 3.38Å; A176-S224 PolarHBondContact O-OG 2.87Å; A176-A225 PolarHBondContact N-O 2.87Å |
| 177 | N | 77.1 | Confident | 82.4 | Confident | 73 Ų | 73 | 53 Ų | 53 | 39% | 0.39 | 29% | 0.294 | S | S | . | . | trans | -82.6 | 156.6 | 172.2 | -72.4 | -10.6 | 0 | 0 | 0 | 112.9 | P174 A175 A225 | P174-N177 WeakPolarHBondContact O-CB 3.15Å; P174-N177 PolarHBondContact O-N 2.82Å; A175-N177 VanDerWaalsContact C-N 3.27Å; A175-N177 PolarHBondContact O-N 2.8Å; N177-A225 WeakPolarHBondContact O-CB 3.41Å; N177-A225 PolarHBondContact O-N 3.36Å | ||
| 178 | T | 81.1 | Confident | 82.8 | Confident | 86 Ų | 86 | 51.3 Ų | 51.3 | 53% | 0.528 | 29% | 0.285 | S | S | . | . | trans | -84.4 | 131.8 | 176 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | V221 M222 E223 | T178-V221 HydrophobicContact CG2-CG1 3.77Å; T178-M222 CarbonylContact C-O 3.57Å; T178-M222 WeakPolarHBondContact CA-O 3.28Å; T178-M222 WeakPolarHBondContact CG2-O 3.25Å; T178-E223 HydrophobicContact CG2-CG 4.12Å | ||
| 179 | V | 86 | Confident | 83.4 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.024 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 143.6 | 177.2 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | L171 V173 F181 M222 A225 L250 | L171-V179 HydrophobicContact CD2-CG1 4.18Å; V173-V179 HydrophobicContact CB-CG2 4.39Å; V173-V179 HydrophobicContact CG1-CG2 4.17Å; V173-V179 HydrophobicContact CG2-CG2 3.66Å; V179-F181 HydrophobicContact CG1-CD1 4.41Å; V179-F181 HydrophobicContact CG1-CE1 3.78Å; V179-F181 HydrophobicContact CG1-CE2 4.1Å; V179-F181 HydrophobicContact CG1-CZ 3.58Å; V179-M222 HydrophobicContact CB-CB 4.28Å; V179-M222 PolarHBondContact N-O 2.87Å; V179-M222 PolarHBondContact O-N 2.86Å; V179-A225 HydrophobicContact CG2-CB 3.88Å; V179-L250 HydrophobicContact CG1-CD1 3.99Å; V179-L250 HydrophobicContact CG2-CD1 3.92Å; V179-L250 HydrophobicContact CG2-CD2 4.5Å |
| 180 | K | 88.4 | Confident | 83.6 | Confident | 43 Ų | 43 | 46.2 Ų | 46.2 | 19% | 0.187 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 124.3 | 171.3 | -175 | -174.8 | -167.2 | -171.6 | 0 | 111.8 | R182 S219 L220 V221 F581 | K180-R182 HydrophobicContact CD-CG 3.9Å; K180-R182 HydrophobicContact CG-CG 4.1Å; K180-S219 WeakPolarHBondContact CE-OG 3.44Å; K180-S219 PolarHBondContact NZ-OG 2.7Å; K180-L220 WeakPolarHBondContact CA-O 3.45Å; K180-V221 HydrophobicContact CD-CG2 4.31Å; K180-V221 HydrophobicContact CG-CG2 4.05Å; K180-F581 HydrophobicContact CD-CE1 4.12Å; K180-F581 HydrophobicContact CD-CE2 3.68Å; K180-F581 HydrophobicContact CD-CZ 3.34Å; K180-F581 HydrophobicContact CG-CZ 4.49Å |
| 181 | F | 89.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 143.2 | 165.5 | -51 | -57.7 | 0 | 0 | 0 | 109.6 | L171 V179 W195 S219 L220 Y233 Y248 L250 | L171-F181 HydrophobicContact CD2-CD1 4.23Å; L171-F181 HydrophobicContact CD2-CE1 4.01Å; V179-F181 HydrophobicContact CG1-CD1 4.41Å; V179-F181 HydrophobicContact CG1-CE1 3.78Å; V179-F181 HydrophobicContact CG1-CE2 4.1Å; V179-F181 HydrophobicContact CG1-CZ 3.58Å; F181-W195 HydrophobicContact CB-CH2 3.32Å; F181-W195 HydrophobicContact CB-CZ2 4.35Å; F181-W195 HydrophobicContact CB-CZ3 3.53Å; F181-W195 HydrophobicContact CD2-CZ3 4.15Å; F181-W195 HydrophobicContact CG-CH2 4.38Å; F181-W195 HydrophobicContact CG-CZ3 4.13Å; F181-S219 VanDerWaalsContact O-CA 3.25Å; F181-S219 WeakPolarHBondContact O-CA 3Å; F181-S219 WeakPolarHBondContact O-CB 3.32Å; F181-L220 HydrophobicContact CD2-CB 4.28Å; F181-L220 HydrophobicContact CD2-CD1 4.32Å; F181-L220 HydrophobicContact CD2-CD2 3.93Å; F181-L220 HydrophobicContact CD2-CG 4.4Å; F181-L220 HydrophobicContact CE2-CD2 4.24Å; F181-L220 PolarHBondContact N-O 3.24Å; F181-L220 PolarHBondContact O-N 3.44Å; F181-L220 VanDerWaalsContact O-N 3.16Å; F181-Y233 HydrophobicContact CD2-CD1 4.5Å; F181-Y233 HydrophobicContact CD2-CG 4.11Å; F181-Y233 AromaticContact CE2-CD1 3.91Å; F181-Y233 HydrophobicContact CE2-CD1 3.91Å; F181-Y233 AromaticContact CE2-CD2 3.62Å; F181-Y233 HydrophobicContact CE2-CD2 3.62Å; F181-Y233 HydrophobicContact CE2-CE2 4.27Å; F181-Y233 AromaticContact CE2-CG 3.42Å; F181-Y233 HydrophobicContact CE2-CG 3.42Å; F181-Y233 VanDerWaalsContact CE2-CG 3.42Å; F181-Y233 AromaticContact CZ-CD2 3.66Å; F181-Y233 HydrophobicContact CZ-CD2 3.66Å; F181-Y233 HydrophobicContact CZ-CE2 4.32Å; F181-Y233 AromaticContact CZ-CG 3.92Å; F181-Y233 HydrophobicContact CZ-CG 3.92Å; F181-Y248 HydrophobicContact CB-CD2 3.7Å; F181-Y248 HydrophobicContact CB-CE2 3.72Å; F181-Y248 HydrophobicContact CB-CG 4.42Å; F181-Y248 HydrophobicContact CD1-CD1 4.02Å; F181-Y248 AromaticContact CD1-CD2 3.61Å; F181-Y248 HydrophobicContact CD1-CD2 3.61Å; F181-Y248 HydrophobicContact CD1-CE2 4.24Å; F181-Y248 AromaticContact CD1-CG 3.45Å; F181-Y248 HydrophobicContact CD1-CG 3.45Å; F181-Y248 VanDerWaalsContact CD1-CG 3.45Å; F181-Y248 HydrophobicContact CE1-CG 4.04Å; F181-Y248 AromaticContact CG-CD2 3.83Å; F181-Y248 HydrophobicContact CG-CD2 3.83Å; F181-Y248 HydrophobicContact CG-CE2 4.33Å; F181-Y248 HydrophobicContact CG-CG 4.16Å; F181-L250 HydrophobicContact CZ-CB 4.07Å; F181-L250 HydrophobicContact CZ-CD1 4.44Å; F181-L250 HydrophobicContact CZ-CD2 4.22Å; F181-L250 HydrophobicContact CZ-CG 4.47Å |
| 182 | R | 88.1 | Confident | 84.2 | Confident | 53 Ų | 53 | 44.1 Ų | 44.1 | 20% | 0.2 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 122.2 | -177 | -60.1 | -172.6 | -169.3 | -143.1 | 6.4 | 109.9 | M166 K180 W218 Y248 Y579 | M166-R182 WeakPolarHBondContact CG-O 3.49Å; K180-R182 HydrophobicContact CD-CG 3.9Å; K180-R182 HydrophobicContact CG-CG 4.1Å; R182-W218 CarbonylContact C-O 3.5Å; R182-W218 WeakPolarHBondContact CA-O 3.34Å; R182-Y248 PolarHBondContact O-OH 2.9Å; R182-Y579 PolarHBondContact NH2-O 2.82Å |
| 183 | C | 90.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -128.9 | 62 | 179.8 | -61 | 0 | 0 | 0 | 0 | 110.2 | W160 M166 A185 I193 W195 W218 C235 | W160-C183 HydrophobicContact CE3-CB 4.43Å; W160-C183 HydrophobicContact CH2-CB 4.06Å; W160-C183 HydrophobicContact CZ3-CB 3.61Å; M166-C183 HydrophobicContact CE-CB 4.02Å; C183-A185 PolarHBondContact O-N 2.89Å; C183-I193 HydrophobicContact CB-CD1 4.02Å; C183-W195 VanDerWaalsContact SG-CH2 3.51Å; C183-W218 PolarHBondContact N-O 3.45Å; C183-W218 WeakPolarHBondContact O-CB 3.38Å; C183-C235 HydrophobicContact CB-CB 3.64Å; C183-C235 WeakPolarHBondContact CB-SG 3.38Å; C183-C235 WeakPolarHBondContact SG-CB 3.34Å; C183-C235 CovalentContact SG-SG 2.02Å; C183-C235 PolarHBondContact SG-SG 3.06Å | ||
| 184 | A | 89.1 | Confident | 85 | Confident | 23 Ų | 23 | 43.7 Ų | 43.7 | 19% | 0.19 | 25% | 0.251 | C | S | . | . | trans | -66.7 | 118.9 | -177 | 0 | 0 | 0 | 0 | 0 | 110 | W160 T161 K162 W218 | W160-A184 WeakPolarHBondContact CA-O 3.41Å; T161-A184 PolarHBondContact N-O 2.95Å; T161-A184 PolarHBondContact OG1-O 2.83Å; K162-A184 HydrophobicContact CB-CB 4.34Å; A184-W218 HydrophobicContact CB-CB 4.28Å | ||
| 185 | A | 89 | Confident | 85.8 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 163.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | F159 W160 C183 W218 V237 I244 | F159-A185 CarbonylContact O-C 3.5Å; F159-A185 WeakPolarHBondContact O-CA 3.5Å; F159-A185 WeakPolarHBondContact O-CB 3.25Å; W160-A185 HydrophobicContact CE3-CB 3.84Å; W160-A185 HydrophobicContact CZ3-CB 3.91Å; C183-A185 PolarHBondContact O-N 2.89Å; A185-W218 HydrophobicContact CB-CE3 4.1Å; A185-W218 HydrophobicContact CB-CH2 4.25Å; A185-W218 HydrophobicContact CB-CZ3 3.92Å; A185-W218 VanDerWaalsContact O-CE2 3.28Å; A185-W218 VanDerWaalsContact O-CZ2 3.26Å; A185-W218 WeakPolarHBondContact O-CZ2 2.98Å; A185-V237 HydrophobicContact CB-CB 4.42Å; A185-V237 HydrophobicContact CB-CG1 3.77Å; A185-V237 HydrophobicContact CB-CG2 4.33Å; A185-I244 HydrophobicContact CB-CD1 4.12Å |
| 186 | D | 88.8 | Confident | 86.4 | Confident | 60 Ų | 60 | 42 Ų | 42 | 32% | 0.321 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 172.9 | 176.4 | -154.3 | -11.5 | 0 | 0 | 0 | 109.1 | P158 F159 T161 M190 | P158-D186 CarbonylContact C-O 3.57Å; P158-D186 VanDerWaalsContact CA-O 3.24Å; P158-D186 WeakPolarHBondContact CA-O 3.38Å; F159-D186 HydrophobicContact CE1-CB 4.32Å; F159-D186 HydrophobicContact CZ-CB 4.09Å; F159-D186 PolarHBondContact N-O 2.89Å; F159-D186 PolarHBondContact O-N 3.09Å; T161-D186 HydrophobicContact CG2-CB 3.43Å; T161-D186 VanDerWaalsContact CG2-CB 3.43Å; D186-M190 WeakPolarHBondContact OD1-CE 3.27Å |
| 187 | G | 87.4 | Confident | 87.5 | Confident | 5 Ų | 5 | 41.5 Ų | 41.5 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | trans | 155.5 | 164.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P189 M190 | G187-P189 CarbonylContact C-O 3.54Å; G187-P189 CarbonylContact O-C 3.54Å; G187-P189 VanDerWaalsContact O-O 3.11Å; G187-M190 WeakPolarHBondContact O-CA 3.34Å; G187-M190 PolarHBondContact O-N 3.2Å; G187-M190 VanDerWaalsContact O-N 3.09Å | ||
| 188 | N | 82.8 | Confident | 88 | Confident | 83 Ų | 83 | 42.8 Ų | 42.8 | 44% | 0.444 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -118.9 | 108 | -175.3 | -173 | 11.1 | 0 | 0 | 0 | 111.7 | D154 E156 Y241 | D154-N188 VanDerWaalsContact O-CB 3.31Å; D154-N188 WeakPolarHBondContact O-CB 3.44Å; D154-N188 PolarHBondContact O-ND2 3.44Å; E156-N188 HydrophobicContact CB-CB 4.34Å; E156-N188 PolarHBondContact N-O 3.06Å; E156-N188 CarbonylContact O-C 3.55Å; E156-N188 PolarHBondContact O-N 2.81Å; E156-N188 VanDerWaalsContact O-O 3.06Å; N188-Y241 VanDerWaalsContact O-CD2 3.27Å; N188-Y241 WeakPolarHBondContact O-CD2 3.37Å; N188-Y241 WeakPolarHBondContact O-CE2 3.49Å |
| 189 | P | 87.2 | Confident | 88.1 | Confident | 50 Ų | 50 | 41.4 Ų | 41.4 | 33% | 0.325 | 23% | 0.233 | S | C | . | . | S | Bend | cis | -77.1 | 158.9 | 7.2 | -13.5 | 29.6 | 0 | 0 | 0 | 113.2 | G187 N239 K240 | G187-P189 CarbonylContact C-O 3.54Å; G187-P189 CarbonylContact O-C 3.54Å; G187-P189 VanDerWaalsContact O-O 3.11Å; P189-N239 VanDerWaalsContact O-CB 3.27Å; P189-N239 WeakPolarHBondContact O-CB 3.47Å; P189-N239 PolarHBondContact O-ND2 3.02Å; P189-K240 VanDerWaalsContact CD-CE 3.41Å; P189-K240 HydrophobicContact CG-CD 4.22Å; P189-K240 HydrophobicContact CG-CG 4.04Å |
| 190 | M | 85.1 | Confident | 88.1 | Confident | 135 Ų | 135 | 49.1 Ų | 49.1 | 67% | 0.665 | 27% | 0.266 | S | S | * | . | trans | -44.3 | 117.5 | 177.3 | -85.8 | -78.6 | 158.5 | 0 | 0 | 112 | D186 G187 | D186-M190 WeakPolarHBondContact OD1-CE 3.27Å; G187-M190 WeakPolarHBondContact O-CA 3.34Å; G187-M190 PolarHBondContact O-N 3.2Å; G187-M190 VanDerWaalsContact O-N 3.09Å | ||
| 191 | P | 89.8 | Confident | 87.9 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 7% | 0.071 | 29% | 0.285 | C | S | . | . | trans | -77.4 | 162 | -173.6 | 25.6 | -28.2 | 0 | 0 | 0 | 113.2 | P158 W218 V237 Q238 N239 | P158-P191 HydrophobicContact CB-CB 3.92Å; P158-P191 HydrophobicContact CB-CG 3.9Å; P191-W218 HydrophobicContact CB-CH2 4.44Å; P191-W218 HydrophobicContact CG-CH2 3.86Å; P191-W218 VanDerWaalsContact O-CH2 3.29Å; P191-W218 WeakPolarHBondContact O-CH2 3.31Å; P191-V237 HydrophobicContact CB-CG1 3.58Å; P191-V237 HydrophobicContact CG-CG1 3.82Å; P191-Q238 CarbonylContact C-O 3.51Å; P191-Q238 WeakPolarHBondContact CA-O 3.38Å; P191-Q238 WeakPolarHBondContact CB-O 3.3Å; P191-N239 HydrophobicContact CB-CB 4.04Å | ||
| 192 | T | 88.4 | Confident | 87.4 | Confident | 83 Ų | 83 | 54.9 Ų | 54.9 | 51% | 0.509 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 139.5 | 177.9 | 56.4 | 0 | 0 | 0 | 0 | 110.7 | V237 Q238 | T192-V237 CarbonylContact O-C 3.52Å; T192-V237 VanDerWaalsContact O-CA 3.25Å; T192-V237 WeakPolarHBondContact O-CA 3.49Å; T192-Q238 PolarHBondContact N-O 3.02Å; T192-Q238 PolarHBondContact O-N 2.85Å; T192-Q238 WeakPolarHBondContact OG1-CG 3.32Å; T192-Q238 PolarHBondContact OG1-O 2.84Å |
| 193 | I | 90.6 | Very high | 86.5 | Confident | 12 Ų | 12 | 58 Ų | 58 | 6% | 0.062 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 137.7 | 177.6 | -175.4 | 168.7 | 0 | 0 | 0 | 111.8 | C183 W195 H215 W218 C235 V236 V237 | C183-I193 HydrophobicContact CB-CD1 4.02Å; I193-W195 HydrophobicContact CD1-CZ2 3.93Å; I193-H215 HydrophobicContact CG2-CB 4.12Å; I193-H215 PolarHBondContact O-CD2 2.91Å; I193-H215 VanDerWaalsContact O-CD2 3.26Å; I193-W218 HydrophobicContact CB-CE3 3.95Å; I193-W218 HydrophobicContact CB-CZ3 3.81Å; I193-W218 HydrophobicContact CD1-CE3 4.08Å; I193-W218 HydrophobicContact CG2-CE3 4.11Å; I193-W218 HydrophobicContact CG2-CZ3 4.2Å; I193-C235 HydrophobicContact CD1-CB 4.14Å; I193-C235 HydrophobicContact CG1-CB 4.5Å; I193-V236 CarbonylContact C-O 3.5Å; I193-V236 WeakPolarHBondContact CA-O 3.12Å; I193-V237 HydrophobicContact CB-CG2 3.97Å; I193-V237 HydrophobicContact CD1-CG2 4.13Å; I193-V237 HydrophobicContact CG1-CG2 3.88Å |
| 194 | H | 89.5 | Confident | 85.2 | Confident | 58 Ų | 58 | 58.5 Ų | 58.5 | 27% | 0.269 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 165.8 | 164.4 | 62.3 | -85.1 | 0 | 0 | 0 | 111.1 | C235 V236 | H194-C235 WeakPolarHBondContact O-CA 3.29Å; H194-V236 VanDerWaalsContact CE1-CG1 3.41Å; H194-V236 WeakPolarHBondContact CE1-CG1 3.33Å; H194-V236 PolarHBondContact N-O 2.76Å; H194-V236 WeakPolarHBondContact NE2-CB 3.38Å; H194-V236 PolarHBondContact O-N 3.04Å |
| 195 | W | 90.1 | Very high | 83.8 | Confident | 7 Ų | 7 | 65.7 Ų | 65.7 | 3% | 0.027 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 142.5 | -174.2 | -69.1 | 82.9 | 0 | 0 | 0 | 112 | F181 C183 I193 F202 L213 L220 T234 C235 Y248 | F181-W195 HydrophobicContact CB-CH2 3.32Å; F181-W195 HydrophobicContact CB-CZ2 4.35Å; F181-W195 HydrophobicContact CB-CZ3 3.53Å; F181-W195 HydrophobicContact CD2-CZ3 4.15Å; F181-W195 HydrophobicContact CG-CH2 4.38Å; F181-W195 HydrophobicContact CG-CZ3 4.13Å; C183-W195 VanDerWaalsContact SG-CH2 3.51Å; I193-W195 HydrophobicContact CD1-CZ2 3.93Å; W195-F202 HydrophobicContact CB-CB 4.5Å; W195-F202 WeakPolarHBondContact O-CB 3.48Å; W195-F202 PolarHBondContact O-N 2.84Å; W195-L213 HydrophobicContact CB-CD2 4.44Å; W195-L213 HydrophobicContact CG-CD2 4.1Å; W195-L220 HydrophobicContact CB-CD1 4.15Å; W195-L220 HydrophobicContact CD2-CB 3.88Å; W195-L220 HydrophobicContact CD2-CD1 3.69Å; W195-L220 HydrophobicContact CD2-CG 4.45Å; W195-L220 HydrophobicContact CE3-CB 4.18Å; W195-L220 HydrophobicContact CE3-CD1 3.76Å; W195-L220 HydrophobicContact CG-CB 4.46Å; W195-L220 HydrophobicContact CG-CD1 3.87Å; W195-L220 HydrophobicContact CH2-CB 4.14Å; W195-L220 HydrophobicContact CZ2-CB 3.82Å; W195-L220 HydrophobicContact CZ3-CB 4.3Å; W195-L220 HydrophobicContact CZ3-CD1 4.46Å; W195-T234 CarbonylContact C-O 3.55Å; W195-T234 WeakPolarHBondContact CA-O 3.48Å; W195-C235 HydrophobicContact CD2-CB 4.01Å; W195-C235 HydrophobicContact CE3-CB 3.85Å; W195-C235 HydrophobicContact CH2-CB 3.63Å; W195-C235 HydrophobicContact CZ2-CB 3.79Å; W195-C235 HydrophobicContact CZ3-CB 3.67Å; W195-Y248 HydrophobicContact CH2-CE2 4.49Å; W195-Y248 HydrophobicContact CZ3-CD2 4.39Å |
| 196 | L | 89.4 | Confident | 82 | Confident | 38 Ų | 38 | 75 Ų | 75 | 20% | 0.199 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 138.9 | 173.9 | -48.2 | 175.9 | 0 | 0 | 0 | 109.5 | K200 Y233 T234 V236 | L196-K200 CarbonylContact C-O 3.53Å; L196-K200 WeakPolarHBondContact CA-O 3.39Å; L196-Y233 CarbonylContact O-C 3.44Å; L196-Y233 WeakPolarHBondContact O-CA 3.05Å; L196-T234 PolarHBondContact N-O 3.1Å; L196-T234 PolarHBondContact O-N 2.93Å; L196-V236 HydrophobicContact CD1-CG2 3.95Å; L196-V236 HydrophobicContact CG-CG2 4.25Å |
| 197 | K | 89 | Confident | 80.6 | Confident | 45 Ų | 45 | 74.6 Ų | 74.6 | 20% | 0.196 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 121 | 165.7 | -177.5 | 179.7 | -179.7 | 170 | 0 | 108.5 | G199 K200 F202 S228 D229 N232 Y233 | K197-G199 PolarHBondContact O-N 3.32Å; K197-K200 PolarHBondContact N-O 3.38Å; K197-K200 PolarHBondContact O-N 3.49Å; K197-F202 HydrophobicContact CB-CB 4.11Å; K197-F202 HydrophobicContact CB-CD2 3.57Å; K197-F202 HydrophobicContact CB-CE2 4.15Å; K197-F202 HydrophobicContact CB-CG 3.93Å; K197-F202 HydrophobicContact CD-CD2 4.16Å; K197-F202 HydrophobicContact CD-CE2 3.88Å; K197-F202 HydrophobicContact CG-CD2 4.47Å; K197-S228 PolarHBondContact NZ-O 3.04Å; K197-D229 PolarHBondContact NZ-O 3.28Å; K197-N232 CarbonylContact C-O 3.59Å; K197-N232 WeakPolarHBondContact CA-O 3.4Å; K197-Y233 HydrophobicContact CB-CD1 4.28Å; K197-Y233 HydrophobicContact CB-CE1 4.04Å; K197-Y233 HydrophobicContact CD-CE1 3.81Å; K197-Y233 WeakPolarHBondContact CD-OH 3.25Å; K197-Y233 WeakPolarHBondContact CE-OH 3.48Å; K197-Y233 HydrophobicContact CG-CD1 4.39Å; K197-Y233 HydrophobicContact CG-CE1 3.85Å; K197-Y233 PolarHBondContact NZ-OH 3.05Å |
| 198 | N | 88.6 | Confident | 78.4 | Confident | 99 Ų | 99 | 83.6 Ų | 83.6 | 53% | 0.529 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 40.2 | -176.6 | -59.1 | -27.8 | 0 | 0 | 0 | 112.5 | K200 G231 N232 | N198-K200 VanDerWaalsContact C-N 3.34Å; N198-K200 PolarHBondContact O-N 2.85Å; N198-G231 WeakPolarHBondContact OD1-CA 3.41Å; N198-N232 PolarHBondContact N-O 2.86Å; N198-N232 PolarHBondContact OD1-N 2.84Å |
| 199 | G | 83.6 | Confident | 77 | Confident | 58 Ų | 58 | 81.7 Ų | 81.7 | 60% | 0.598 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79 | 1.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | K197 | K197-G199 PolarHBondContact O-N 3.32Š|
| 200 | K | 86.1 | Confident | 75.7 | Confident | 166 Ų | 166 | 80.8 Ų | 80.8 | 72% | 0.722 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107 | 144.6 | 175.7 | -65.2 | -173.9 | 176.8 | -175 | 0 | 111.7 | L196 K197 N198 F202 | L196-K200 CarbonylContact C-O 3.53Å; L196-K200 WeakPolarHBondContact CA-O 3.39Å; K197-K200 PolarHBondContact N-O 3.38Å; K197-K200 PolarHBondContact O-N 3.49Å; N198-K200 VanDerWaalsContact C-N 3.34Å; N198-K200 PolarHBondContact O-N 2.85Å; K200-F202 PolarHBondContact O-N 3.02Å |
| 201 | E | 83.1 | Confident | 75 | Confident | 127 Ų | 127 | 75.5 Ų | 75.5 | 59% | 0.593 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 129.9 | 179.1 | -163.5 | -171.9 | -172.5 | 0 | 0 | 111.8 | K203 | E201-K203 VanDerWaalsContact CD-NZ 3.34Å; E201-K203 WeakPolarHBondContact OE1-CE 3.23Å; E201-K203 IonicContact OE1-NZ 3.41Å; E201-K203 PolarHBondContact OE1-NZ 2.99Å; E201-K203 VanDerWaalsContact OE1-NZ 3.16Å; E201-K203 WeakPolarHBondContact OE2-CE 3.26Å; E201-K203 IonicContact OE2-NZ 3.57Å; E201-K203 PolarHBondContact OE2-NZ 3.14Å |
| 202 | F | 80.6 | Confident | 74.3 | Confident | 36 Ų | 36 | 79.3 Ų | 79.3 | 16% | 0.158 | 41% | 0.412 | C | S | . | . | trans | -121.1 | 93.7 | -169.7 | -171.9 | -106.4 | 0 | 0 | 0 | 112.2 | W195 K197 K200 G204 I211 L220 Y233 | W195-F202 HydrophobicContact CB-CB 4.5Å; W195-F202 WeakPolarHBondContact O-CB 3.48Å; W195-F202 PolarHBondContact O-N 2.84Å; K197-F202 HydrophobicContact CB-CB 4.11Å; K197-F202 HydrophobicContact CB-CD2 3.57Å; K197-F202 HydrophobicContact CB-CE2 4.15Å; K197-F202 HydrophobicContact CB-CG 3.93Å; K197-F202 HydrophobicContact CD-CD2 4.16Å; K197-F202 HydrophobicContact CD-CE2 3.88Å; K197-F202 HydrophobicContact CG-CD2 4.47Å; K200-F202 PolarHBondContact O-N 3.02Å; F202-G204 PolarHBondContact O-N 3.47Å; F202-I211 HydrophobicContact CE1-CD1 3.85Å; F202-I211 HydrophobicContact CE1-CG2 4.14Å; F202-I211 HydrophobicContact CZ-CD1 3.47Å; F202-I211 VanDerWaalsContact CZ-CD1 3.47Å; F202-L220 HydrophobicContact CD1-CD1 3.9Å; F202-L220 HydrophobicContact CE1-CD1 3.92Å; F202-Y233 HydrophobicContact CD1-CE1 4.39Å; F202-Y233 HydrophobicContact CE1-CD1 4.46Å; F202-Y233 AromaticContact CE1-CE1 3.97Å; F202-Y233 HydrophobicContact CE1-CE1 3.97Å; F202-Y233 HydrophobicContact CE2-CE1 4.4Å; F202-Y233 AromaticContact CZ-CE1 3.96Å; F202-Y233 HydrophobicContact CZ-CE1 3.96Å | ||
| 203 | K | 68.1 | Low | 73.7 | Confident | 120 Ų | 120 | 77.5 Ų | 77.5 | 52% | 0.522 | 40% | 0.399 | S | S | . | . | trans | -84.9 | 1.3 | -174.8 | -58.1 | -169.1 | -179.5 | -178.1 | 0 | 115.2 | E201 E205 | E201-K203 VanDerWaalsContact CD-NZ 3.34Å; E201-K203 WeakPolarHBondContact OE1-CE 3.23Å; E201-K203 IonicContact OE1-NZ 3.41Å; E201-K203 PolarHBondContact OE1-NZ 2.99Å; E201-K203 VanDerWaalsContact OE1-NZ 3.16Å; E201-K203 WeakPolarHBondContact OE2-CE 3.26Å; E201-K203 IonicContact OE2-NZ 3.57Å; E201-K203 PolarHBondContact OE2-NZ 3.14Å; K203-E205 PolarHBondContact O-N 3.16Å | ||
| 204 | G | 63 | Low | 73 | Confident | 9 Ų | 9 | 81.9 Ų | 81.9 | 9% | 0.093 | 42% | 0.415 | C | S | . | . | S | Bend | trans | 72.5 | -30.9 | 178 | 0 | 0 | 0 | 0 | 0 | 116 | F202 Q206 | F202-G204 PolarHBondContact O-N 3.47Å; G204-Q206 PolarHBondContact O-N 2.99Å; G204-Q206 VanDerWaalsContact O-N 3.14Å |
| 205 | E | 59.3 | Low | 72.3 | Confident | 174 Ų | 174 | 83.9 Ų | 83.9 | 81% | 0.813 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -18.5 | -177 | -67 | 170.9 | 166.5 | 0 | 0 | 114.9 | K203 R207 | K203-E205 PolarHBondContact O-N 3.16Å; E205-R207 VanDerWaalsContact C-N 3.25Å; E205-R207 PolarHBondContact O-N 2.99Å |
| 206 | Q | 51.3 | Low | 71.4 | Confident | 200 Ų | 200 | 92.8 Ų | 92.8 | 94% | 0.935 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 21.5 | -174.2 | -61.7 | -144.7 | -22.2 | 0 | 0 | 115.1 | G204 | G204-Q206 PolarHBondContact O-N 2.99Å; G204-Q206 VanDerWaalsContact O-N 3.14Å |
| 207 | R | 58.8 | Low | 70.7 | Confident | 50 Ų | 50 | 95.5 Ų | 95.5 | 19% | 0.189 | 48% | 0.478 | C | S | . | . | trans | -142.3 | 127.3 | 179.9 | -179.1 | 173.8 | 164.9 | -141.7 | -13.7 | 114 | E205 G209 I211 M222 E223 S224 D229 | E205-R207 VanDerWaalsContact C-N 3.25Å; E205-R207 PolarHBondContact O-N 2.99Å; R207-G209 PolarHBondContact O-N 3.35Å; R207-I211 HydrophobicContact CB-CD1 4.46Å; R207-M222 PolarHBondContact NH1-SD 3.31Å; R207-M222 VanDerWaalsContact NH1-SD 3.44Å; R207-E223 PolarHBondContact NH2-O 2.89Å; R207-S224 PolarHBondContact NH2-O 2.76Å; R207-D229 WeakPolarHBondContact CD-OD1 3.08Å; R207-D229 IonicContact CZ-OD1 3.16Å; R207-D229 IonicContact CZ-OD2 2.9Å; R207-D229 IonicContact NE-OD1 2.64Å; R207-D229 PolarHBondContact NE-OD1 3.22Å; R207-D229 IonicContact NE-OD2 3.34Å; R207-D229 IonicContact NH1-OD1 2.84Å; R207-D229 PolarHBondContact NH1-OD1 3.04Å; R207-D229 IonicContact NH1-OD2 3.49Å; R207-D229 PolarHBondContact NH1-OD2 2.65Å; R207-D229 IonicContact NH2-OD2 3.85Å; R207-D229 PolarHBondContact NH2-OD2 2.02Å | ||
| 208 | M | 42.8 | Very low | 70.4 | Confident | 194 Ų | 194 | 95.5 Ų | 95.5 | 96% | 0.956 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 115 | 161.5 | -60.3 | -173.9 | -171.9 | 0 | 0 | 109.2 | ||
| 209 | G | 52.1 | Low | 70.3 | Confident | 44 Ų | 44 | 90.8 Ų | 90.8 | 45% | 0.454 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 143.8 | -15.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | R207 | R207-G209 PolarHBondContact O-N 3.35Š|
| 210 | G | 60.3 | Low | 70.5 | Confident | 31 Ų | 31 | 88 Ų | 88 | 32% | 0.32 | 42% | 0.423 | S | S | . | . | trans | 81.3 | 101.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113.7 | E223 | G210-E223 PolarHBondContact O-N 3.49Š| ||
| 211 | I | 70.6 | Confident | 70.4 | Confident | 24 Ų | 24 | 80.6 Ų | 80.6 | 12% | 0.123 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 125.8 | 169.5 | -63.1 | -177.1 | 0 | 0 | 0 | 108.3 | F202 R207 L220 V221 M222 | F202-I211 HydrophobicContact CE1-CD1 3.85Å; F202-I211 HydrophobicContact CE1-CG2 4.14Å; F202-I211 HydrophobicContact CZ-CD1 3.47Å; F202-I211 VanDerWaalsContact CZ-CD1 3.47Å; R207-I211 HydrophobicContact CB-CD1 4.46Å; I211-L220 HydrophobicContact CG2-CD2 3.96Å; I211-L220 HydrophobicContact CG2-CG 4.16Å; I211-V221 CarbonylContact C-O 3.52Å; I211-V221 WeakPolarHBondContact CA-O 3.13Å; I211-M222 HydrophobicContact CD1-CE 4.09Å; I211-M222 HydrophobicContact CD1-CG 4.4Å; I211-M222 HydrophobicContact CG1-CB 4.39Å; I211-M222 HydrophobicContact CG1-CG 4.28Å |
| 212 | K | 74.6 | Confident | 70.5 | Confident | 91 Ų | 91 | 74.6 Ų | 74.6 | 40% | 0.396 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 101.7 | -176.4 | -68.1 | 166.1 | -174.1 | 157.5 | 0 | 108.9 | R214 V221 E223 | K212-R214 PolarHBondContact O-N 2.81Å; K212-V221 HydrophobicContact CB-CB 4.35Å; K212-V221 PolarHBondContact N-O 2.97Å; K212-V221 PolarHBondContact O-N 3.05Å; K212-E223 WeakPolarHBondContact CD-OE1 3.35Å; K212-E223 WeakPolarHBondContact CE-OE1 3.18Å; K212-E223 IonicContact NZ-OE1 2.67Å; K212-E223 PolarHBondContact NZ-OE1 2.77Å; K212-E223 IonicContact NZ-OE2 3.72Å; K212-E223 PolarHBondContact NZ-OE2 3.03Å |
| 213 | L | 75.4 | Confident | 70.5 | Confident | 45 Ų | 45 | 75.8 Ų | 75.8 | 24% | 0.236 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 102.2 | 171.4 | -65.7 | 174.7 | 0 | 0 | 0 | 109.1 | W195 H215 L220 | W195-L213 HydrophobicContact CB-CD2 4.44Å; W195-L213 HydrophobicContact CG-CD2 4.1Å; L213-H215 PolarHBondContact O-ND1 3.03Å; L213-L220 HydrophobicContact CD2-CB 4.14Å; L213-L220 HydrophobicContact CD2-CD1 3.89Å; L213-L220 HydrophobicContact CD2-CG 3.77Å |
| 214 | R | 76.4 | Confident | 70.7 | Confident | 103 Ų | 103 | 73 Ų | 73 | 39% | 0.389 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 81.9 | -178.8 | -61 | -166.7 | 177.3 | -161.2 | -4.2 | 109.9 | K212 Q216 Q217 W218 S219 | K212-R214 PolarHBondContact O-N 2.81Å; R214-Q216 PolarHBondContact O-N 3.18Å; R214-Q217 HydrophobicContact CB-CB 3.88Å; R214-Q217 HydrophobicContact CB-CG 4.36Å; R214-Q217 CarbonylContact O-C 3.54Å; R214-Q217 VanDerWaalsContact O-C 3.28Å; R214-Q217 WeakPolarHBondContact O-CA 3.34Å; R214-Q217 PolarHBondContact O-N 2.84Å; R214-W218 PolarHBondContact O-N 2.79Å; R214-S219 PolarHBondContact N-O 2.82Å; R214-S219 PolarHBondContact O-N 2.76Å; R214-S219 VanDerWaalsContact O-N 3.16Å |
| 215 | H | 76.1 | Confident | 71.5 | Confident | 100 Ų | 100 | 72.6 Ų | 72.6 | 46% | 0.463 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -53.4 | -52.8 | -179.4 | -60.1 | 89 | 0 | 0 | 0 | 112.1 | I193 L213 Q217 W218 | I193-H215 HydrophobicContact CG2-CB 4.12Å; I193-H215 PolarHBondContact O-CD2 2.91Å; I193-H215 VanDerWaalsContact O-CD2 3.26Å; L213-H215 PolarHBondContact O-ND1 3.03Å; H215-Q217 PolarHBondContact O-N 2.69Å; H215-Q217 VanDerWaalsContact O-N 3.14Å; H215-W218 PolarHBondContact O-N 2.77Å |
| 216 | Q | 70.9 | Confident | 72.4 | Confident | 194 Ų | 194 | 66.9 Ų | 66.9 | 91% | 0.907 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -61.5 | -19.6 | 175.2 | -68.6 | 175.7 | -18.8 | 0 | 0 | 114.8 | R214 | R214-Q216 PolarHBondContact O-N 3.18Š|
| 217 | Q | 73.6 | Confident | 73.6 | Confident | 95 Ų | 95 | 60 Ų | 60 | 44% | 0.444 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -109.1 | 16.8 | 176.4 | -56.7 | -167.4 | -27.1 | 0 | 0 | 112 | R214 H215 S219 | R214-Q217 HydrophobicContact CB-CB 3.88Å; R214-Q217 HydrophobicContact CB-CG 4.36Å; R214-Q217 CarbonylContact O-C 3.54Å; R214-Q217 VanDerWaalsContact O-C 3.28Å; R214-Q217 WeakPolarHBondContact O-CA 3.34Å; R214-Q217 PolarHBondContact O-N 2.84Å; H215-Q217 PolarHBondContact O-N 2.69Å; H215-Q217 VanDerWaalsContact O-N 3.14Å; Q217-S219 WeakPolarHBondContact O-CB 3.24Å; Q217-S219 PolarHBondContact O-N 3.31Å; Q217-S219 PolarHBondContact O-OG 2.8Å |
| 218 | W | 83.8 | Confident | 74.4 | Confident | 46 Ų | 46 | 62.1 Ų | 62.1 | 17% | 0.174 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 39.7 | 176 | -61.4 | 99.6 | 0 | 0 | 0 | 114 | R182 C183 A184 A185 P191 I193 R214 H215 V237 | R182-W218 CarbonylContact C-O 3.5Å; R182-W218 WeakPolarHBondContact CA-O 3.34Å; C183-W218 PolarHBondContact N-O 3.45Å; C183-W218 WeakPolarHBondContact O-CB 3.38Å; A184-W218 HydrophobicContact CB-CB 4.28Å; A185-W218 HydrophobicContact CB-CE3 4.1Å; A185-W218 HydrophobicContact CB-CH2 4.25Å; A185-W218 HydrophobicContact CB-CZ3 3.92Å; A185-W218 VanDerWaalsContact O-CE2 3.28Å; A185-W218 VanDerWaalsContact O-CZ2 3.26Å; A185-W218 WeakPolarHBondContact O-CZ2 2.98Å; P191-W218 HydrophobicContact CB-CH2 4.44Å; P191-W218 HydrophobicContact CG-CH2 3.86Å; P191-W218 VanDerWaalsContact O-CH2 3.29Å; P191-W218 WeakPolarHBondContact O-CH2 3.31Å; I193-W218 HydrophobicContact CB-CE3 3.95Å; I193-W218 HydrophobicContact CB-CZ3 3.81Å; I193-W218 HydrophobicContact CD1-CE3 4.08Å; I193-W218 HydrophobicContact CG2-CE3 4.11Å; I193-W218 HydrophobicContact CG2-CZ3 4.2Å; R214-W218 PolarHBondContact O-N 2.79Å; H215-W218 PolarHBondContact O-N 2.77Å; W218-V237 HydrophobicContact CE3-CG2 4.23Å; W218-V237 HydrophobicContact CH2-CG1 4.15Å; W218-V237 HydrophobicContact CZ3-CB 4.42Å; W218-V237 HydrophobicContact CZ3-CG1 3.66Å; W218-V237 HydrophobicContact CZ3-CG2 3.85Å |
| 219 | S | 86.4 | Confident | 76.3 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 150.2 | -171.7 | 46 | 0 | 0 | 0 | 0 | 116.3 | K180 F181 R214 Q217 | K180-S219 WeakPolarHBondContact CE-OG 3.44Å; K180-S219 PolarHBondContact NZ-OG 2.7Å; F181-S219 VanDerWaalsContact O-CA 3.25Å; F181-S219 WeakPolarHBondContact O-CA 3Å; F181-S219 WeakPolarHBondContact O-CB 3.32Å; R214-S219 PolarHBondContact N-O 2.82Å; R214-S219 PolarHBondContact O-N 2.76Å; R214-S219 VanDerWaalsContact O-N 3.16Å; Q217-S219 WeakPolarHBondContact O-CB 3.24Å; Q217-S219 PolarHBondContact O-N 3.31Å; Q217-S219 PolarHBondContact O-OG 2.8Å |
| 220 | L | 86.6 | Confident | 78 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 120.8 | 169.7 | -175.9 | 167.7 | 0 | 0 | 0 | 107.4 | K180 F181 W195 F202 I211 L213 M222 Y233 | K180-L220 WeakPolarHBondContact CA-O 3.45Å; F181-L220 HydrophobicContact CD2-CB 4.28Å; F181-L220 HydrophobicContact CD2-CD1 4.32Å; F181-L220 HydrophobicContact CD2-CD2 3.93Å; F181-L220 HydrophobicContact CD2-CG 4.4Å; F181-L220 HydrophobicContact CE2-CD2 4.24Å; F181-L220 PolarHBondContact N-O 3.24Å; F181-L220 PolarHBondContact O-N 3.44Å; F181-L220 VanDerWaalsContact O-N 3.16Å; W195-L220 HydrophobicContact CB-CD1 4.15Å; W195-L220 HydrophobicContact CD2-CB 3.88Å; W195-L220 HydrophobicContact CD2-CD1 3.69Å; W195-L220 HydrophobicContact CD2-CG 4.45Å; W195-L220 HydrophobicContact CE3-CB 4.18Å; W195-L220 HydrophobicContact CE3-CD1 3.76Å; W195-L220 HydrophobicContact CG-CB 4.46Å; W195-L220 HydrophobicContact CG-CD1 3.87Å; W195-L220 HydrophobicContact CH2-CB 4.14Å; W195-L220 HydrophobicContact CZ2-CB 3.82Å; W195-L220 HydrophobicContact CZ3-CB 4.3Å; W195-L220 HydrophobicContact CZ3-CD1 4.46Å; F202-L220 HydrophobicContact CD1-CD1 3.9Å; F202-L220 HydrophobicContact CE1-CD1 3.92Å; I211-L220 HydrophobicContact CG2-CD2 3.96Å; I211-L220 HydrophobicContact CG2-CG 4.16Å; L213-L220 HydrophobicContact CD2-CB 4.14Å; L213-L220 HydrophobicContact CD2-CD1 3.89Å; L213-L220 HydrophobicContact CD2-CG 3.77Å; L220-M222 HydrophobicContact CD2-CB 4.19Å; L220-Y233 HydrophobicContact CD1-CD1 4.21Å |
| 221 | V | 85.6 | Confident | 79.3 | Confident | 10 Ų | 10 | 55 Ų | 55 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 129.2 | 172.6 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | T178 K180 I211 K212 E223 F581 | T178-V221 HydrophobicContact CG2-CG1 3.77Å; K180-V221 HydrophobicContact CD-CG2 4.31Å; K180-V221 HydrophobicContact CG-CG2 4.05Å; I211-V221 CarbonylContact C-O 3.52Å; I211-V221 WeakPolarHBondContact CA-O 3.13Å; K212-V221 HydrophobicContact CB-CB 4.35Å; K212-V221 PolarHBondContact N-O 2.97Å; K212-V221 PolarHBondContact O-N 3.05Å; V221-E223 HydrophobicContact CG1-CG 4.48Å; V221-F581 HydrophobicContact CG2-CZ 4.11Å |
| 222 | M | 84.6 | Confident | 80.3 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 112.2 | 177.7 | 172.8 | -168.9 | -69.6 | 0 | 0 | 108.4 | T178 V179 R207 I211 L220 A225 D229 Y233 L250 | T178-M222 CarbonylContact C-O 3.57Å; T178-M222 WeakPolarHBondContact CA-O 3.28Å; T178-M222 WeakPolarHBondContact CG2-O 3.25Å; V179-M222 HydrophobicContact CB-CB 4.28Å; V179-M222 PolarHBondContact N-O 2.87Å; V179-M222 PolarHBondContact O-N 2.86Å; R207-M222 PolarHBondContact NH1-SD 3.31Å; R207-M222 VanDerWaalsContact NH1-SD 3.44Å; I211-M222 HydrophobicContact CD1-CE 4.09Å; I211-M222 HydrophobicContact CD1-CG 4.4Å; I211-M222 HydrophobicContact CG1-CB 4.39Å; I211-M222 HydrophobicContact CG1-CG 4.28Å; L220-M222 HydrophobicContact CD2-CB 4.19Å; M222-A225 HydrophobicContact SD-CB 4.3Å; M222-D229 HydrophobicContact CE-CB 3.96Å; M222-D229 HydrophobicContact SD-CB 3.68Å; M222-Y233 HydrophobicContact CE-CE1 4.02Å; M222-Y233 HydrophobicContact CE-CE2 4.46Å; M222-Y233 WeakPolarHBondContact CE-OH 3.16Å; M222-L250 HydrophobicContact CE-CD2 4.23Å; M222-L250 HydrophobicContact SD-CD2 4Å |
| 223 | E | 80.1 | Confident | 81.1 | Confident | 62 Ų | 62 | 52.9 Ų | 52.9 | 29% | 0.29 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -82.2 | 143.4 | 179.1 | -74.6 | 160.5 | -161.5 | 0 | 0 | 110.4 | T178 R207 G210 K212 V221 | T178-E223 HydrophobicContact CG2-CG 4.12Å; R207-E223 PolarHBondContact NH2-O 2.89Å; G210-E223 PolarHBondContact O-N 3.49Å; K212-E223 WeakPolarHBondContact CD-OE1 3.35Å; K212-E223 WeakPolarHBondContact CE-OE1 3.18Å; K212-E223 IonicContact NZ-OE1 2.67Å; K212-E223 PolarHBondContact NZ-OE1 2.77Å; K212-E223 IonicContact NZ-OE2 3.72Å; K212-E223 PolarHBondContact NZ-OE2 3.03Å; V221-E223 HydrophobicContact CG1-CG 4.48Å |
| 224 | S | 72.8 | Confident | 82 | Confident | 62 Ų | 62 | 51.7 Ų | 51.7 | 43% | 0.434 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 41.7 | 71.5 | -179.5 | -63.8 | 0 | 0 | 0 | 0 | 115.4 | A176 R207 | A176-S224 WeakPolarHBondContact O-CA 3.38Å; A176-S224 PolarHBondContact O-OG 2.87Å; R207-S224 PolarHBondContact NH2-O 2.76Å |
| 225 | A | 78.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -56 | 136.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | V173 A175 A176 N177 V179 M222 D229 V252 | V173-A225 HydrophobicContact CG2-CB 4.31Å; A175-A225 CarbonylContact C-O 3.56Å; A175-A225 WeakPolarHBondContact CA-O 3.48Å; A176-A225 PolarHBondContact N-O 2.87Å; N177-A225 WeakPolarHBondContact O-CB 3.41Å; N177-A225 PolarHBondContact O-N 3.36Å; V179-A225 HydrophobicContact CG2-CB 3.88Å; M222-A225 HydrophobicContact SD-CB 4.3Å; A225-D229 WeakPolarHBondContact CA-OD2 3.22Å; A225-V252 HydrophobicContact CB-CG1 4.32Å; A225-V252 HydrophobicContact CB-CG2 4.18Å | ||
| 226 | V | 78.6 | Confident | 83.5 | Confident | 54 Ų | 54 | 42.9 Ų | 42.9 | 33% | 0.327 | 23% | 0.229 | S | C | . | . | trans | -120.1 | 159.4 | 178 | -67.2 | 0 | 0 | 0 | 0 | 110.5 | S228 D229 | V226-S228 VanDerWaalsContact CG2-OG 3.23Å; V226-S228 WeakPolarHBondContact CG2-OG 3.37Å; V226-S228 PolarHBondContact O-N 3.16Å; V226-D229 VanDerWaalsContact CG2-OD2 3.22Å; V226-D229 WeakPolarHBondContact CG2-OD2 3.41Å; V226-D229 PolarHBondContact N-OD2 3.28Å; V226-D229 VanDerWaalsContact O-CB 3.32Å; V226-D229 WeakPolarHBondContact O-CB 3.46Å; V226-D229 PolarHBondContact O-N 2.8Å | ||
| 227 | P | 76.1 | Confident | 84.6 | Confident | 54 Ų | 54 | 33.6 Ų | 33.6 | 35% | 0.351 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -54.9 | -26.2 | -179.2 | -29.8 | 37.4 | 0 | 0 | 0 | 115.4 | D229 R230 E254 | P227-D229 PolarHBondContact O-N 3.47Å; P227-R230 VanDerWaalsContact O-CG 3.28Å; P227-R230 WeakPolarHBondContact O-CG 3.5Å; P227-R230 PolarHBondContact O-N 2.98Å; P227-E254 HydrophobicContact CG-CG 4.17Å |
| 228 | S | 77.2 | Confident | 85.5 | Confident | 95 Ų | 95 | 32.8 Ų | 32.8 | 66% | 0.664 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -73.9 | -7.7 | 174.3 | 56.7 | 0 | 0 | 0 | 0 | 114.8 | K197 V226 | K197-S228 PolarHBondContact NZ-O 3.04Å; V226-S228 VanDerWaalsContact CG2-OG 3.23Å; V226-S228 WeakPolarHBondContact CG2-OG 3.37Å; V226-S228 PolarHBondContact O-N 3.16Å |
| 229 | D | 82.3 | Confident | 85.8 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -80.1 | -17.5 | 174.8 | -66.3 | -49.6 | 0 | 0 | 0 | 113.5 | K197 R207 M222 A225 V226 P227 Y233 L250 V252 | K197-D229 PolarHBondContact NZ-O 3.28Å; R207-D229 WeakPolarHBondContact CD-OD1 3.08Å; R207-D229 IonicContact CZ-OD1 3.16Å; R207-D229 IonicContact CZ-OD2 2.9Å; R207-D229 IonicContact NE-OD1 2.64Å; R207-D229 PolarHBondContact NE-OD1 3.22Å; R207-D229 IonicContact NE-OD2 3.34Å; R207-D229 IonicContact NH1-OD1 2.84Å; R207-D229 PolarHBondContact NH1-OD1 3.04Å; R207-D229 IonicContact NH1-OD2 3.49Å; R207-D229 PolarHBondContact NH1-OD2 2.65Å; R207-D229 IonicContact NH2-OD2 3.85Å; R207-D229 PolarHBondContact NH2-OD2 2.02Å; M222-D229 HydrophobicContact CE-CB 3.96Å; M222-D229 HydrophobicContact SD-CB 3.68Å; A225-D229 WeakPolarHBondContact CA-OD2 3.22Å; V226-D229 VanDerWaalsContact CG2-OD2 3.22Å; V226-D229 WeakPolarHBondContact CG2-OD2 3.41Å; V226-D229 PolarHBondContact N-OD2 3.28Å; V226-D229 VanDerWaalsContact O-CB 3.32Å; V226-D229 WeakPolarHBondContact O-CB 3.46Å; V226-D229 PolarHBondContact O-N 2.8Å; P227-D229 PolarHBondContact O-N 3.47Å; D229-Y233 WeakPolarHBondContact O-CE2 3.15Å; D229-Y233 PolarHBondContact O-OH 2.88Å; D229-L250 HydrophobicContact CB-CD2 4Å; D229-V252 HydrophobicContact CB-CG2 4.34Å |
| 230 | R | 86.4 | Confident | 85.9 | Confident | 101 Ų | 101 | 39 Ų | 39 | 38% | 0.381 | 21% | 0.212 | S | C | . | . | trans | -46.9 | 139.9 | 179.3 | -69.3 | -179.9 | -170.5 | 157.2 | 8.7 | 111.4 | P227 L250 D251 V252 E254 | P227-R230 VanDerWaalsContact O-CG 3.28Å; P227-R230 WeakPolarHBondContact O-CG 3.5Å; P227-R230 PolarHBondContact O-N 2.98Å; R230-L250 WeakPolarHBondContact CA-O 3.32Å; R230-D251 WeakPolarHBondContact CD-OD1 3.36Å; R230-D251 IonicContact NE-OD1 2.69Å; R230-D251 PolarHBondContact NE-OD1 2.8Å; R230-V252 HydrophobicContact CG-CB 4.05Å; R230-V252 HydrophobicContact CG-CG2 4.16Å; R230-V252 VanDerWaalsContact CZ-O 3.26Å; R230-V252 PolarHBondContact NE-O 3.26Å; R230-V252 PolarHBondContact NH2-O 2.97Å; R230-E254 IonicContact NH2-OE1 3.4Å; R230-E254 PolarHBondContact NH2-OE1 3.15Å | ||
| 231 | G | 88.9 | Confident | 86 | Confident | 16 Ų | 16 | 44.3 Ų | 44.3 | 17% | 0.165 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 143.1 | -177.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N198 Y233 L250 | N198-G231 WeakPolarHBondContact OD1-CA 3.41Å; G231-Y233 WeakPolarHBondContact O-CD2 3.43Å; G231-L250 PolarHBondContact N-O 3.1Å; G231-L250 VanDerWaalsContact N-O 3.1Å; G231-L250 PolarHBondContact O-N 3.18Å |
| 232 | N | 91.8 | Very high | 86.1 | Confident | 69 Ų | 69 | 44.9 Ų | 44.9 | 37% | 0.369 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 123.2 | -175.7 | -65.4 | -9.1 | 0 | 0 | 0 | 110.4 | K197 N198 T247 Y248 | K197-N232 CarbonylContact C-O 3.59Å; K197-N232 WeakPolarHBondContact CA-O 3.4Å; N198-N232 PolarHBondContact N-O 2.86Å; N198-N232 PolarHBondContact OD1-N 2.84Å; N232-T247 HydrophobicContact CB-CG2 3.93Å; N232-Y248 CarbonylContact C-O 3.59Å; N232-Y248 VanDerWaalsContact CA-O 3.22Å; N232-Y248 WeakPolarHBondContact CA-O 3.36Å |
| 233 | Y | 91.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 107.9 | 177.4 | -67.2 | -93.8 | 0 | 0 | 0 | 109.2 | F181 L196 K197 F202 L220 M222 D229 G231 Y248 L250 | F181-Y233 HydrophobicContact CD2-CD1 4.5Å; F181-Y233 HydrophobicContact CD2-CG 4.11Å; F181-Y233 AromaticContact CE2-CD1 3.91Å; F181-Y233 HydrophobicContact CE2-CD1 3.91Å; F181-Y233 AromaticContact CE2-CD2 3.62Å; F181-Y233 HydrophobicContact CE2-CD2 3.62Å; F181-Y233 HydrophobicContact CE2-CE2 4.27Å; F181-Y233 AromaticContact CE2-CG 3.42Å; F181-Y233 HydrophobicContact CE2-CG 3.42Å; F181-Y233 VanDerWaalsContact CE2-CG 3.42Å; F181-Y233 AromaticContact CZ-CD2 3.66Å; F181-Y233 HydrophobicContact CZ-CD2 3.66Å; F181-Y233 HydrophobicContact CZ-CE2 4.32Å; F181-Y233 AromaticContact CZ-CG 3.92Å; F181-Y233 HydrophobicContact CZ-CG 3.92Å; L196-Y233 CarbonylContact O-C 3.44Å; L196-Y233 WeakPolarHBondContact O-CA 3.05Å; K197-Y233 HydrophobicContact CB-CD1 4.28Å; K197-Y233 HydrophobicContact CB-CE1 4.04Å; K197-Y233 HydrophobicContact CD-CE1 3.81Å; K197-Y233 WeakPolarHBondContact CD-OH 3.25Å; K197-Y233 WeakPolarHBondContact CE-OH 3.48Å; K197-Y233 HydrophobicContact CG-CD1 4.39Å; K197-Y233 HydrophobicContact CG-CE1 3.85Å; K197-Y233 PolarHBondContact NZ-OH 3.05Å; F202-Y233 HydrophobicContact CD1-CE1 4.39Å; F202-Y233 HydrophobicContact CE1-CD1 4.46Å; F202-Y233 AromaticContact CE1-CE1 3.97Å; F202-Y233 HydrophobicContact CE1-CE1 3.97Å; F202-Y233 HydrophobicContact CE2-CE1 4.4Å; F202-Y233 AromaticContact CZ-CE1 3.96Å; F202-Y233 HydrophobicContact CZ-CE1 3.96Å; L220-Y233 HydrophobicContact CD1-CD1 4.21Å; M222-Y233 HydrophobicContact CE-CE1 4.02Å; M222-Y233 HydrophobicContact CE-CE2 4.46Å; M222-Y233 WeakPolarHBondContact CE-OH 3.16Å; D229-Y233 WeakPolarHBondContact O-CE2 3.15Å; D229-Y233 PolarHBondContact O-OH 2.88Å; G231-Y233 WeakPolarHBondContact O-CD2 3.43Å; Y233-Y248 PolarHBondContact N-O 2.74Å; Y233-Y248 PolarHBondContact O-N 2.93Å; Y233-L250 HydrophobicContact CD2-CB 4Å; Y233-L250 HydrophobicContact CE2-CB 3.86Å; Y233-L250 HydrophobicContact CE2-CD2 3.83Å; Y233-L250 HydrophobicContact CE2-CG 4.5Å |
| 234 | T | 92.4 | Very high | 87.2 | Confident | 20 Ų | 20 | 47.8 Ų | 47.8 | 12% | 0.123 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 123.6 | 179.1 | -52.6 | 0 | 0 | 0 | 0 | 109.2 | W195 L196 V236 H246 T247 | W195-T234 CarbonylContact C-O 3.55Å; W195-T234 WeakPolarHBondContact CA-O 3.48Å; L196-T234 PolarHBondContact N-O 3.1Å; L196-T234 PolarHBondContact O-N 2.93Å; T234-V236 HydrophobicContact CG2-CG2 4.13Å; T234-H246 CarbonylContact C-O 3.58Å; T234-H246 VanDerWaalsContact CA-O 3.28Å; T234-H246 WeakPolarHBondContact CA-O 3.48Å; T234-T247 WeakPolarHBondContact CG2-OG1 3.28Å; T234-T247 WeakPolarHBondContact OG1-CG2 3.37Å; T234-T247 PolarHBondContact OG1-OG1 3.18Å |
| 235 | C | 92.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 140 | 163.4 | 55.2 | 0 | 0 | 0 | 0 | 109.3 | C183 I193 H194 W195 S245 H246 | C183-C235 HydrophobicContact CB-CB 3.64Å; C183-C235 WeakPolarHBondContact CB-SG 3.38Å; C183-C235 WeakPolarHBondContact SG-CB 3.34Å; C183-C235 CovalentContact SG-SG 2.02Å; C183-C235 PolarHBondContact SG-SG 3.06Å; I193-C235 HydrophobicContact CD1-CB 4.14Å; I193-C235 HydrophobicContact CG1-CB 4.5Å; H194-C235 WeakPolarHBondContact O-CA 3.29Å; W195-C235 HydrophobicContact CD2-CB 4.01Å; W195-C235 HydrophobicContact CE3-CB 3.85Å; W195-C235 HydrophobicContact CH2-CB 3.63Å; W195-C235 HydrophobicContact CZ2-CB 3.79Å; W195-C235 HydrophobicContact CZ3-CB 3.67Å; C235-S245 CarbonylContact O-C 3.56Å; C235-S245 WeakPolarHBondContact O-CA 3.48Å; C235-S245 VanDerWaalsContact O-CB 3.25Å; C235-S245 WeakPolarHBondContact O-CB 3.47Å; C235-H246 PolarHBondContact N-O 2.75Å; C235-H246 PolarHBondContact O-N 3.05Å; C235-H246 PolarHBondContact SG-O 3.25Å; C235-H246 VanDerWaalsContact SG-O 3.35Å |
| 236 | V | 93.1 | Very high | 88.9 | Confident | 18 Ų | 18 | 49.6 Ų | 49.6 | 11% | 0.109 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 127.8 | 176.3 | -176.8 | 0 | 0 | 0 | 0 | 107.2 | I193 H194 L196 T234 T243 | I193-V236 CarbonylContact C-O 3.5Å; I193-V236 WeakPolarHBondContact CA-O 3.12Å; H194-V236 VanDerWaalsContact CE1-CG1 3.41Å; H194-V236 WeakPolarHBondContact CE1-CG1 3.33Å; H194-V236 PolarHBondContact N-O 2.76Å; H194-V236 WeakPolarHBondContact NE2-CB 3.38Å; H194-V236 PolarHBondContact O-N 3.04Å; L196-V236 HydrophobicContact CD1-CG2 3.95Å; L196-V236 HydrophobicContact CG-CG2 4.25Å; T234-V236 HydrophobicContact CG2-CG2 4.13Å; V236-T243 HydrophobicContact CG1-CG2 3.65Å |
| 237 | V | 92.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 126.9 | -175.8 | 176.1 | 0 | 0 | 0 | 0 | 109.3 | P158 W160 A185 P191 T192 I193 W218 T243 I244 | P158-V237 HydrophobicContact CB-CG1 4.24Å; W160-V237 HydrophobicContact CH2-CB 4.31Å; W160-V237 HydrophobicContact CH2-CG2 3.88Å; W160-V237 HydrophobicContact CZ3-CB 4.41Å; W160-V237 HydrophobicContact CZ3-CG2 3.81Å; A185-V237 HydrophobicContact CB-CB 4.42Å; A185-V237 HydrophobicContact CB-CG1 3.77Å; A185-V237 HydrophobicContact CB-CG2 4.33Å; P191-V237 HydrophobicContact CB-CG1 3.58Å; P191-V237 HydrophobicContact CG-CG1 3.82Å; T192-V237 CarbonylContact O-C 3.52Å; T192-V237 VanDerWaalsContact O-CA 3.25Å; T192-V237 WeakPolarHBondContact O-CA 3.49Å; I193-V237 HydrophobicContact CB-CG2 3.97Å; I193-V237 HydrophobicContact CD1-CG2 4.13Å; I193-V237 HydrophobicContact CG1-CG2 3.88Å; W218-V237 HydrophobicContact CE3-CG2 4.23Å; W218-V237 HydrophobicContact CH2-CG1 4.15Å; W218-V237 HydrophobicContact CZ3-CB 4.42Å; W218-V237 HydrophobicContact CZ3-CG1 3.66Å; W218-V237 HydrophobicContact CZ3-CG2 3.85Å; V237-T243 CarbonylContact O-C 3.57Å; V237-T243 VanDerWaalsContact O-CA 3.29Å; V237-T243 WeakPolarHBondContact O-CA 3.22Å; V237-I244 HydrophobicContact CB-CD1 4.4Å; V237-I244 HydrophobicContact CB-CG1 3.82Å; V237-I244 HydrophobicContact CG1-CG1 4.32Å; V237-I244 PolarHBondContact N-O 2.69Å; V237-I244 PolarHBondContact O-N 3.4Å |
| 238 | Q | 92.3 | Very high | 90.3 | Very high | 78 Ų | 78 | 47.6 Ų | 47.6 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 142.9 | -170.4 | 66.3 | -171.1 | 18.7 | 0 | 0 | 113.9 | P191 T192 G242 T243 | P191-Q238 CarbonylContact C-O 3.51Å; P191-Q238 WeakPolarHBondContact CA-O 3.38Å; P191-Q238 WeakPolarHBondContact CB-O 3.3Å; T192-Q238 PolarHBondContact N-O 3.02Å; T192-Q238 PolarHBondContact O-N 2.85Å; T192-Q238 WeakPolarHBondContact OG1-CG 3.32Å; T192-Q238 PolarHBondContact OG1-O 2.84Å; Q238-G242 WeakPolarHBondContact CA-O 3.49Å; Q238-T243 HydrophobicContact CB-CG2 4.09Å; Q238-T243 WeakPolarHBondContact CB-OG1 3.12Å |
| 239 | N | 91.6 | Very high | 91 | Very high | 26 Ų | 26 | 48.1 Ų | 48.1 | 14% | 0.139 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | -172.7 | 163.5 | 74.6 | 8.8 | 0 | 0 | 0 | 110 | E156 P158 P189 P191 Y241 G242 | E156-N239 PolarHBondContact O-ND2 2.84Å; P158-N239 WeakPolarHBondContact CD-OD1 3.41Å; P189-N239 VanDerWaalsContact O-CB 3.27Å; P189-N239 WeakPolarHBondContact O-CB 3.47Å; P189-N239 PolarHBondContact O-ND2 3.02Å; P191-N239 HydrophobicContact CB-CB 4.04Å; N239-Y241 PolarHBondContact O-N 3.44Å; N239-Y241 VanDerWaalsContact O-N 3.17Å; N239-Y241 WeakPolarHBondContact OD1-CA 3.37Å; N239-Y241 PolarHBondContact OD1-N 3.41Å; N239-G242 PolarHBondContact N-O 2.79Å; N239-G242 PolarHBondContact OD1-N 3.31Å; N239-G242 VanDerWaalsContact OD1-N 3.1Å |
| 240 | K | 88.4 | Confident | 91.3 | Very high | 149 Ų | 149 | 48.1 Ų | 48.1 | 65% | 0.648 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -15.4 | 179.4 | 56.2 | 160.6 | 164.3 | 161.8 | 0 | 115.1 | P189 | P189-K240 VanDerWaalsContact CD-CE 3.41Å; P189-K240 HydrophobicContact CG-CD 4.22Å; P189-K240 HydrophobicContact CG-CG 4.04Å |
| 241 | Y | 87.6 | Confident | 91.2 | Very high | 113 Ų | 113 | 45.9 Ų | 45.9 | 44% | 0.443 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -13 | -175.2 | -61.2 | -57.7 | 0 | 0 | 0 | 114.2 | A155 N188 N239 | A155-Y241 HydrophobicContact CB-CD2 4.38Å; A155-Y241 HydrophobicContact CB-CE1 4.48Å; A155-Y241 HydrophobicContact CB-CE2 3.74Å; N188-Y241 VanDerWaalsContact O-CD2 3.27Å; N188-Y241 WeakPolarHBondContact O-CD2 3.37Å; N188-Y241 WeakPolarHBondContact O-CE2 3.49Å; N239-Y241 PolarHBondContact O-N 3.44Å; N239-Y241 VanDerWaalsContact O-N 3.17Å; N239-Y241 WeakPolarHBondContact OD1-CA 3.37Å; N239-Y241 PolarHBondContact OD1-N 3.41Å |
| 242 | G | 89 | Confident | 90.8 | Very high | 22 Ų | 22 | 45.1 Ų | 45.1 | 23% | 0.227 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.8 | 179.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | P158 Q238 N239 | P158-G242 WeakPolarHBondContact CG-O 3.17Å; Q238-G242 WeakPolarHBondContact CA-O 3.49Å; N239-G242 PolarHBondContact N-O 2.79Å; N239-G242 PolarHBondContact OD1-N 3.31Å; N239-G242 VanDerWaalsContact OD1-N 3.1Å |
| 243 | T | 94 | Very high | 89.8 | Confident | 87 Ų | 87 | 45.7 Ų | 45.7 | 53% | 0.534 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 130.8 | 178 | -60.6 | 0 | 0 | 0 | 0 | 110.2 | V236 V237 Q238 | V236-T243 HydrophobicContact CG1-CG2 3.65Å; V237-T243 CarbonylContact O-C 3.57Å; V237-T243 VanDerWaalsContact O-CA 3.29Å; V237-T243 WeakPolarHBondContact O-CA 3.22Å; Q238-T243 HydrophobicContact CB-CG2 4.09Å; Q238-T243 WeakPolarHBondContact CB-OG1 3.12Å |
| 244 | I | 93.9 | Very high | 88 | Confident | 36 Ų | 36 | 51.9 Ų | 51.9 | 19% | 0.185 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 151.8 | 174.3 | 61 | 179.5 | 0 | 0 | 0 | 110 | P158 W160 A185 V237 | P158-I244 HydrophobicContact CB-CD1 4.14Å; P158-I244 HydrophobicContact CB-CG1 4.26Å; P158-I244 HydrophobicContact CG-CG1 4.34Å; P158-I244 HydrophobicContact CG-CG2 4.42Å; P158-I244 WeakPolarHBondContact O-CG2 2.91Å; W160-I244 HydrophobicContact CD2-CD1 3.59Å; W160-I244 HydrophobicContact CD2-CG1 4.42Å; W160-I244 HydrophobicContact CE3-CD1 3.72Å; W160-I244 HydrophobicContact CG-CD1 4.17Å; W160-I244 HydrophobicContact CH2-CD1 3.86Å; W160-I244 HydrophobicContact CH2-CG1 3.77Å; W160-I244 HydrophobicContact CZ2-CB 3.9Å; W160-I244 HydrophobicContact CZ2-CD1 3.74Å; W160-I244 HydrophobicContact CZ2-CG1 3.62Å; W160-I244 HydrophobicContact CZ3-CD1 3.84Å; W160-I244 HydrophobicContact CZ3-CG1 4.22Å; A185-I244 HydrophobicContact CB-CD1 4.12Å; V237-I244 HydrophobicContact CB-CD1 4.4Å; V237-I244 HydrophobicContact CB-CG1 3.82Å; V237-I244 HydrophobicContact CG1-CG1 4.32Å; V237-I244 PolarHBondContact N-O 2.69Å; V237-I244 PolarHBondContact O-N 3.4Å |
| 245 | S | 93.2 | Very high | 86.3 | Confident | 74 Ų | 74 | 58.2 Ų | 58.2 | 52% | 0.517 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 152.8 | 176.3 | 64.3 | 0 | 0 | 0 | 0 | 112.6 | C235 | C235-S245 CarbonylContact O-C 3.56Å; C235-S245 WeakPolarHBondContact O-CA 3.48Å; C235-S245 VanDerWaalsContact O-CB 3.25Å; C235-S245 WeakPolarHBondContact O-CB 3.47Å |
| 246 | H | 93 | Very high | 83.9 | Confident | 26 Ų | 26 | 63.3 Ų | 63.3 | 12% | 0.12 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 139.8 | 176.5 | -178.6 | 99.5 | 0 | 0 | 0 | 109.8 | W160 M166 T234 C235 Y248 | W160-H246 HydrophobicContact CH2-CB 4.37Å; W160-H246 HydrophobicContact CZ2-CB 3.87Å; M166-H246 HydrophobicContact CE-CB 3.34Å; M166-H246 PolarHBondContact O-CE1 3.27Å; M166-H246 PolarHBondContact O-NE2 2.97Å; T234-H246 CarbonylContact C-O 3.58Å; T234-H246 VanDerWaalsContact CA-O 3.28Å; T234-H246 WeakPolarHBondContact CA-O 3.48Å; C235-H246 PolarHBondContact N-O 2.75Å; C235-H246 PolarHBondContact O-N 3.05Å; C235-H246 PolarHBondContact SG-O 3.25Å; C235-H246 VanDerWaalsContact SG-O 3.35Å; H246-Y248 AromaticContact CD2-CD2 3.94Å; H246-Y248 AromaticContact CD2-CE2 3.66Å; H246-Y248 AromaticContact CD2-CZ 3.76Å; H246-Y248 AromaticContact NE2-CE1 3.75Å; H246-Y248 AromaticContact NE2-CZ 3.82Å |
| 247 | T | 92.6 | Very high | 82 | Confident | 58 Ų | 58 | 66.2 Ų | 66.2 | 36% | 0.356 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 122.2 | -175.3 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | N232 T234 | N232-T247 HydrophobicContact CB-CG2 3.93Å; T234-T247 WeakPolarHBondContact CG2-OG1 3.28Å; T234-T247 WeakPolarHBondContact OG1-CG2 3.37Å; T234-T247 PolarHBondContact OG1-OG1 3.18Å |
| 248 | Y | 92.2 | Very high | 80.6 | Confident | 8 Ų | 8 | 69.2 Ų | 69.2 | 3% | 0.031 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 144 | 166.7 | -64.1 | -79.1 | 0 | 0 | 0 | 110.7 | K168 K169 L171 F181 R182 W195 N232 Y233 H246 | K168-Y248 WeakPolarHBondContact O-CD1 3.36Å; K169-Y248 CarbonylContact O-C 3.55Å; K169-Y248 WeakPolarHBondContact O-CA 3.27Å; L171-Y248 HydrophobicContact CD1-CD1 3.71Å; L171-Y248 HydrophobicContact CD1-CE1 4.27Å; F181-Y248 HydrophobicContact CB-CD2 3.7Å; F181-Y248 HydrophobicContact CB-CE2 3.72Å; F181-Y248 HydrophobicContact CB-CG 4.42Å; F181-Y248 HydrophobicContact CD1-CD1 4.02Å; F181-Y248 AromaticContact CD1-CD2 3.61Å; F181-Y248 HydrophobicContact CD1-CD2 3.61Å; F181-Y248 HydrophobicContact CD1-CE2 4.24Å; F181-Y248 AromaticContact CD1-CG 3.45Å; F181-Y248 HydrophobicContact CD1-CG 3.45Å; F181-Y248 VanDerWaalsContact CD1-CG 3.45Å; F181-Y248 HydrophobicContact CE1-CG 4.04Å; F181-Y248 AromaticContact CG-CD2 3.83Å; F181-Y248 HydrophobicContact CG-CD2 3.83Å; F181-Y248 HydrophobicContact CG-CE2 4.33Å; F181-Y248 HydrophobicContact CG-CG 4.16Å; R182-Y248 PolarHBondContact O-OH 2.9Å; W195-Y248 HydrophobicContact CH2-CE2 4.49Å; W195-Y248 HydrophobicContact CZ3-CD2 4.39Å; N232-Y248 CarbonylContact C-O 3.59Å; N232-Y248 VanDerWaalsContact CA-O 3.22Å; N232-Y248 WeakPolarHBondContact CA-O 3.36Å; Y233-Y248 PolarHBondContact N-O 2.74Å; Y233-Y248 PolarHBondContact O-N 2.93Å; H246-Y248 AromaticContact CD2-CD2 3.94Å; H246-Y248 AromaticContact CD2-CE2 3.66Å; H246-Y248 AromaticContact CD2-CZ 3.76Å; H246-Y248 AromaticContact NE2-CE1 3.75Å; H246-Y248 AromaticContact NE2-CZ 3.82Å |
| 249 | Q | 91 | Very high | 79.9 | Confident | 105 Ų | 105 | 73 Ų | 73 | 49% | 0.491 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 119.1 | 168.3 | -179 | 176.4 | -4.1 | 0 | 0 | 108 | K169 L170 L171 | K169-Q249 PolarHBondContact O-N 2.88Å; L170-Q249 HydrophobicContact CD1-CB 3.96Å; L170-Q249 HydrophobicContact CD1-CG 3.67Å; L171-Q249 PolarHBondContact N-O 3.29Å |
| 250 | L | 89.1 | Confident | 79.4 | Confident | 4 Ų | 4 | 71.9 Ų | 71.9 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 119.8 | 175.5 | -178 | 59.7 | 0 | 0 | 0 | 110 | L171 V173 V179 F181 M222 D229 R230 G231 Y233 V252 | L171-L250 HydrophobicContact CB-CD1 4.32Å; V173-L250 HydrophobicContact CG2-CD1 3.84Å; V179-L250 HydrophobicContact CG1-CD1 3.99Å; V179-L250 HydrophobicContact CG2-CD1 3.92Å; V179-L250 HydrophobicContact CG2-CD2 4.5Å; F181-L250 HydrophobicContact CZ-CB 4.07Å; F181-L250 HydrophobicContact CZ-CD1 4.44Å; F181-L250 HydrophobicContact CZ-CD2 4.22Å; F181-L250 HydrophobicContact CZ-CG 4.47Å; M222-L250 HydrophobicContact CE-CD2 4.23Å; M222-L250 HydrophobicContact SD-CD2 4Å; D229-L250 HydrophobicContact CB-CD2 4Å; R230-L250 WeakPolarHBondContact CA-O 3.32Å; G231-L250 PolarHBondContact N-O 3.1Å; G231-L250 VanDerWaalsContact N-O 3.1Å; G231-L250 PolarHBondContact O-N 3.18Å; Y233-L250 HydrophobicContact CD2-CB 4Å; Y233-L250 HydrophobicContact CE2-CB 3.86Å; Y233-L250 HydrophobicContact CE2-CD2 3.83Å; Y233-L250 HydrophobicContact CE2-CG 4.5Å; L250-V252 HydrophobicContact CD1-CG2 4.31Å; L250-V252 HydrophobicContact CD2-CG2 4.12Å; L250-V252 HydrophobicContact CG-CG2 3.97Å |
| 251 | D | 83.3 | Confident | 78.9 | Confident | 55 Ų | 55 | 69 Ų | 69 | 29% | 0.294 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 136 | 161.8 | -169.3 | 18 | 0 | 0 | 0 | 110 | L171 A172 V173 R230 | L171-D251 PolarHBondContact O-N 2.87Å; A172-D251 WeakPolarHBondContact CA-O 3.3Å; A172-D251 HydrophobicContact CB-CB 4.46Å; V173-D251 PolarHBondContact N-O 3.44Å; R230-D251 WeakPolarHBondContact CD-OD1 3.36Å; R230-D251 IonicContact NE-OD1 2.69Å; R230-D251 PolarHBondContact NE-OD1 2.8Å |
| 252 | V | 81.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 100.4 | -179.5 | -175.7 | 0 | 0 | 0 | 0 | 107.5 | V173 A175 A225 D229 R230 L250 | V173-V252 HydrophobicContact CG2-CG2 4.18Å; V173-V252 CarbonylContact O-C 3.55Å; V173-V252 VanDerWaalsContact O-CA 3.29Å; V173-V252 WeakPolarHBondContact O-CA 3.45Å; A175-V252 HydrophobicContact CB-CG1 4.17Å; A225-V252 HydrophobicContact CB-CG1 4.32Å; A225-V252 HydrophobicContact CB-CG2 4.18Å; D229-V252 HydrophobicContact CB-CG2 4.34Å; R230-V252 HydrophobicContact CG-CB 4.05Å; R230-V252 HydrophobicContact CG-CG2 4.16Å; R230-V252 VanDerWaalsContact CZ-O 3.26Å; R230-V252 PolarHBondContact NE-O 3.26Å; R230-V252 PolarHBondContact NH2-O 2.97Å; L250-V252 HydrophobicContact CD1-CG2 4.31Å; L250-V252 HydrophobicContact CD2-CG2 4.12Å; L250-V252 HydrophobicContact CG-CG2 3.97Å |
| 253 | L | 69.1 | Low | 78.4 | Confident | 81 Ų | 81 | 66.5 Ų | 66.5 | 42% | 0.424 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 130.8 | 178.5 | -58.1 | 177.8 | 0 | 0 | 0 | 109.6 | A172 V173 P174 A175 | A172-L253 HydrophobicContact CB-CD1 4.15Å; A172-L253 HydrophobicContact CB-CG 4.34Å; V173-L253 PolarHBondContact O-N 3.4Å; P174-L253 CarbonylContact C-O 3.54Å; P174-L253 WeakPolarHBondContact CA-O 3.19Å; A175-L253 PolarHBondContact N-O 2.9Å |
| 254 | E | 55.4 | Low | 77.4 | Confident | 129 Ų | 129 | 66.5 Ų | 66.5 | 60% | 0.603 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 149.1 | 166.2 | -75.2 | 151.7 | -136.7 | 0 | 0 | 109.2 | P227 R230 | P227-E254 HydrophobicContact CG-CG 4.17Å; R230-E254 IonicContact NH2-OE1 3.4Å; R230-E254 PolarHBondContact NH2-OE1 3.15Å |
| 255 | R | 55.5 | Low | 76.5 | Confident | 153 Ų | 153 | 67.7 Ų | 67.7 | 58% | 0.577 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 139.2 | -179.5 | -73 | -173.7 | 175.5 | -154.7 | -2.4 | 109.9 | P257 | R255-P257 WeakPolarHBondContact O-CD 3.21Š|
| 256 | S | 42.4 | Very low | 76.3 | Confident | 107 Ų | 107 | 65.6 Ų | 65.6 | 75% | 0.748 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 116.5 | 178 | -54.1 | 0 | 0 | 0 | 0 | 110.3 | H258 | S256-H258 PolarHBondContact O-N 3.36Š|
| 257 | P | 53.3 | Low | 76.1 | Confident | 79 Ų | 79 | 64.8 Ų | 64.8 | 51% | 0.513 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 128.8 | -174.8 | 29.9 | -35.8 | 0 | 0 | 0 | 110.2 | R255 I352 | R255-P257 WeakPolarHBondContact O-CD 3.21Å; P257-I352 HydrophobicContact CB-CD1 3.93Å; P257-I352 HydrophobicContact CB-CG1 3.9Å; P257-I352 HydrophobicContact CG-CD1 3.83Å; P257-I352 HydrophobicContact CG-CG1 4.33Å |
| 258 | H | 62.8 | Low | 76 | Confident | 64 Ų | 64 | 64.2 Ų | 64.2 | 30% | 0.296 | 35% | 0.352 | S | S | . | . | trans | -110.2 | 158.2 | 179.9 | 63.9 | 77.9 | 0 | 0 | 0 | 111.5 | S256 I261 D287 N350 | S256-H258 PolarHBondContact O-N 3.36Å; H258-I261 VanDerWaalsContact CE1-CD1 3.43Å; H258-I261 WeakPolarHBondContact CE1-CD1 3.44Å; H258-D287 IonicContact CD2-OD2 2.6Å; H258-D287 IonicContact NE2-OD2 2.62Å; H258-N350 PolarHBondContact O-ND2 3.46Å | ||
| 259 | R | 77.6 | Confident | 76.1 | Confident | 157 Ų | 157 | 69.5 Ų | 69.5 | 59% | 0.592 | 38% | 0.381 | S | S | * | . | trans | -60.8 | 154.5 | 168.1 | 74.3 | -176.1 | -174.6 | -78 | -5.1 | 110.3 | ||||
| 260 | P | 81.1 | Confident | 76.1 | Confident | 2 Ų | 2 | 67.4 Ų | 67.4 | 1% | 0.013 | 37% | 0.371 | C | S | . | . | trans | -58 | 144.4 | -174.3 | -23.4 | 35.7 | 0 | 0 | 0 | 112.3 | V284 P290 A348 N350 G353 A355 | P260-V284 HydrophobicContact CB-CG1 3.82Å; P260-P290 HydrophobicContact CG-CB 4.47Å; P260-A348 HydrophobicContact CB-CB 3.92Å; P260-A348 HydrophobicContact CG-CB 4.33Å; P260-N350 VanDerWaalsContact CD-CG 3.49Å; P260-N350 HydrophobicContact CG-CB 3.89Å; P260-G353 WeakPolarHBondContact CD-O 3.46Å; P260-A355 WeakPolarHBondContact O-CB 3.16Å | ||
| 261 | I | 79.1 | Confident | 76.4 | Confident | 89 Ų | 89 | 71.4 Ų | 71.4 | 46% | 0.456 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 118.7 | 178.7 | -61.3 | 173.1 | 0 | 0 | 0 | 108.1 | H258 Y285 | H258-I261 VanDerWaalsContact CE1-CD1 3.43Å; H258-I261 WeakPolarHBondContact CE1-CD1 3.44Å; I261-Y285 PolarHBondContact N-O 2.98Å; I261-Y285 PolarHBondContact O-N 2.83Å |
| 262 | L | 83.5 | Confident | 76.8 | Confident | 14 Ų | 14 | 69.8 Ų | 69.8 | 7% | 0.073 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 140.4 | 174.3 | -59.6 | -173.3 | 0 | 0 | 0 | 110.6 | A264 K283 V284 A348 A355 Y356 H357 | L262-A264 PolarHBondContact O-N 2.85Å; L262-K283 WeakPolarHBondContact CA-O 3.38Å; L262-V284 HydrophobicContact CD2-CB 4.31Å; L262-V284 HydrophobicContact CD2-CG1 4.2Å; L262-V284 HydrophobicContact CD2-CG2 3.63Å; L262-A348 HydrophobicContact CD2-CB 3.76Å; L262-A355 HydrophobicContact CD1-CB 4.49Å; L262-A355 HydrophobicContact CG-CB 4.18Å; L262-Y356 VanDerWaalsContact CD1-C 3.4Å; L262-Y356 VanDerWaalsContact CD1-CA 3.5Å; L262-H357 HydrophobicContact CD1-CB 4.01Å |
| 263 | Q | 81.6 | Confident | 77.2 | Confident | 69 Ų | 69 | 72.6 Ų | 72.6 | 32% | 0.322 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 126.4 | 173.9 | -173 | 172.5 | -48.3 | 0 | 0 | 110.9 | G265 L266 K283 Y285 H357 | Q263-G265 PolarHBondContact O-N 3.2Å; Q263-L266 HydrophobicContact CB-CD1 4.24Å; Q263-L266 HydrophobicContact CG-CD1 4.26Å; Q263-L266 PolarHBondContact O-N 3.26Å; Q263-K283 HydrophobicContact CB-CB 3.9Å; Q263-K283 PolarHBondContact N-O 2.85Å; Q263-K283 VanDerWaalsContact OE1-CD 3.27Å; Q263-Y285 HydrophobicContact CB-CE2 4.17Å; Q263-Y285 PolarHBondContact OE1-OH 3.39Å; Q263-H357 PolarHBondContact O-ND1 2.86Å |
| 264 | A | 74.6 | Confident | 78.3 | Confident | 87 Ų | 87 | 71.3 Ų | 71.3 | 72% | 0.719 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 135.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | L262 L266 | L262-A264 PolarHBondContact O-N 2.85Å; A264-L266 VanDerWaalsContact C-N 3.32Å |
| 265 | G | 75.3 | Confident | 79.9 | Confident | 60 Ų | 60 | 66.9 Ų | 66.9 | 62% | 0.619 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 9.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | Q263 | Q263-G265 PolarHBondContact O-N 3.2Š|
| 266 | L | 87 | Confident | 81.6 | Confident | 31 Ų | 31 | 61.9 Ų | 61.9 | 16% | 0.162 | 38% | 0.378 | C | S | . | . | trans | -124.7 | 135.5 | 172 | -70.6 | -176.2 | 0 | 0 | 0 | 110.9 | Q263 A264 H281 K283 H357 | Q263-L266 HydrophobicContact CB-CD1 4.24Å; Q263-L266 HydrophobicContact CG-CD1 4.26Å; Q263-L266 PolarHBondContact O-N 3.26Å; A264-L266 VanDerWaalsContact C-N 3.32Å; L266-H281 WeakPolarHBondContact CB-O 3.36Å; L266-H281 HydrophobicContact CD1-CB 4.37Å; L266-H281 HydrophobicContact CD2-CB 4.34Å; L266-K283 HydrophobicContact CD1-CB 4.46Å; L266-K283 HydrophobicContact CD1-CD 4.21Å; L266-K283 HydrophobicContact CD1-CG 4.22Å; L266-H357 WeakPolarHBondContact O-CB 3.12Å; L266-H357 PolarHBondContact O-ND1 3.37Å | ||
| 267 | P | 90.6 | Very high | 84 | Confident | 8 Ų | 8 | 61.1 Ų | 61.1 | 5% | 0.052 | 37% | 0.366 | C | S | . | . | S | Bend | cis | -61.6 | 157.2 | -10.8 | 26.9 | -35.1 | 0 | 0 | 0 | 113.1 | F280 H281 W294 A359 | P267-F280 HydrophobicContact CB-CB 4.2Å; P267-F280 HydrophobicContact CB-CD1 3.95Å; P267-H281 WeakPolarHBondContact CA-O 3.38Å; P267-W294 HydrophobicContact CB-CH2 3.94Å; P267-W294 HydrophobicContact CB-CZ3 4.11Å; P267-W294 HydrophobicContact CG-CH2 4.1Å; P267-W294 HydrophobicContact CG-CZ3 3.96Å; P267-A359 HydrophobicContact CB-CB 3.62Å; P267-A359 HydrophobicContact CG-CB 3.76Å |
| 268 | A | 90.3 | Very high | 85.8 | Confident | 47 Ų | 47 | 57.6 Ų | 57.6 | 39% | 0.388 | 34% | 0.342 | S | S | . | . | trans | -106.1 | 146.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | F280 A359 | A268-F280 WeakPolarHBondContact O-CE1 3.46Å; A268-A359 WeakPolarHBondContact O-CB 3.28Å | ||
| 269 | N | 93.2 | Very high | 87.3 | Confident | 118 Ų | 118 | 58.8 Ų | 58.8 | 63% | 0.631 | 35% | 0.348 | S | S | * | . | trans | -59.7 | 138.8 | 174.3 | -64.8 | -11 | 0 | 0 | 0 | 110.7 | A359 W360 | N269-A359 WeakPolarHBondContact OD1-CA 3.36Å; N269-W360 WeakPolarHBondContact CA-O 3.43Å; N269-W360 PolarHBondContact OD1-N 3.44Å | ||
| 270 | Q | 92.4 | Very high | 88 | Confident | 61 Ų | 61 | 51.3 Ų | 51.3 | 29% | 0.285 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 148.7 | -178.3 | -73.5 | -173.9 | 85.6 | 0 | 0 | 111.9 | V278 E279 F280 W360 L361 T362 | Q270-V278 HydrophobicContact CB-CG2 4.1Å; Q270-V278 VanDerWaalsContact CD-CG2 3.49Å; Q270-V278 HydrophobicContact CG-CG2 4.41Å; Q270-E279 PolarHBondContact NE2-O 3.23Å; Q270-F280 HydrophobicContact CB-CE1 4.26Å; Q270-F280 HydrophobicContact CB-CZ 4.37Å; Q270-F280 HydrophobicContact CG-CE1 4.26Å; Q270-W360 PolarHBondContact N-O 3.36Å; Q270-L361 HydrophobicContact CB-CD1 4.26Å; Q270-T362 PolarHBondContact O-N 2.83Å |
| 271 | T | 93.6 | Very high | 88.5 | Confident | 88 Ų | 88 | 54.9 Ų | 54.9 | 54% | 0.54 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 119.9 | 176.7 | -58 | 0 | 0 | 0 | 0 | 108.4 | T362 L364 | T271-T362 CarbonylContact C-O 3.51Å; T271-T362 VanDerWaalsContact CA-O 3.28Å; T271-T362 WeakPolarHBondContact CA-O 3.4Å; T271-T362 HydrophobicContact CG2-CG2 4.08Å; T271-L364 HydrophobicContact CG2-CD1 3.57Å; T271-L364 HydrophobicContact CG2-CD2 4.36Å; T271-L364 HydrophobicContact CG2-CG 3.73Å |
| 272 | V | 91.7 | Very high | 88.9 | Confident | 21 Ų | 21 | 50.7 Ų | 50.7 | 13% | 0.127 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 162.4 | -175.2 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | V278 V336 L361 T362 V363 L364 | V272-V278 HydrophobicContact CG1-CB 4.14Å; V272-V278 HydrophobicContact CG1-CG2 4Å; V272-V336 HydrophobicContact CG2-CB 4.22Å; V272-V336 HydrophobicContact CG2-CG1 3.82Å; V272-L361 HydrophobicContact CG2-CD1 3.97Å; V272-T362 PolarHBondContact N-O 3.08Å; V272-V363 HydrophobicContact CG2-CG2 4.32Å; V272-V363 CarbonylContact O-C 3.5Å; V272-V363 WeakPolarHBondContact O-CA 3.38Å; V272-L364 PolarHBondContact O-N 2.9Å |
| 273 | V | 91.6 | Very high | 89.1 | Confident | 60 Ų | 60 | 54.4 Ų | 54.4 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 147 | 174 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | G275 S276 L364 A366 | V273-G275 PolarHBondContact O-N 3.32Å; V273-S276 VanDerWaalsContact O-CB 3.26Å; V273-S276 WeakPolarHBondContact O-CB 3.47Å; V273-S276 PolarHBondContact O-N 3.08Å; V273-S276 PolarHBondContact O-OG 2.92Å; V273-L364 WeakPolarHBondContact CA-O 3.15Å; V273-A366 HydrophobicContact CG1-CB 3.88Å |
| 274 | V | 92.8 | Very high | 89.1 | Confident | 53 Ų | 53 | 51.9 Ų | 51.9 | 32% | 0.321 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | 129.9 | 173.5 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | V336 F338 V363 L364 | V274-V336 WeakPolarHBondContact CA-O 3.19Å; V274-F338 HydrophobicContact CG2-CD1 4.25Å; V274-F338 HydrophobicContact CG2-CD2 3.89Å; V274-F338 HydrophobicContact CG2-CE1 3.9Å; V274-F338 HydrophobicContact CG2-CE2 3.52Å; V274-F338 HydrophobicContact CG2-CG 4.25Å; V274-F338 HydrophobicContact CG2-CZ 3.52Å; V274-V363 HydrophobicContact CB-CG1 4.47Å; V274-V363 HydrophobicContact CG2-CG1 3.61Å; V274-L364 PolarHBondContact N-O 3.13Å |
| 275 | G | 88.3 | Confident | 89.2 | Confident | 37 Ų | 37 | 53.8 Ų | 53.8 | 38% | 0.381 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | V273 N335 V336 | V273-G275 PolarHBondContact O-N 3.32Å; G275-N335 WeakPolarHBondContact CA-OD1 3.35Å; G275-V336 PolarHBondContact N-O 2.76Å |
| 276 | S | 90.4 | Very high | 89 | Confident | 47 Ų | 47 | 52.3 Ų | 52.3 | 33% | 0.329 | 29% | 0.289 | S | S | . | . | trans | -82 | 160.7 | 171.1 | -50.3 | 0 | 0 | 0 | 0 | 111.7 | V273 N335 V336 | V273-S276 VanDerWaalsContact O-CB 3.26Å; V273-S276 WeakPolarHBondContact O-CB 3.47Å; V273-S276 PolarHBondContact O-N 3.08Å; V273-S276 PolarHBondContact O-OG 2.92Å; S276-N335 PolarHBondContact O-N 3.35Å; S276-V336 VanDerWaalsContact O-CB 3.32Å; S276-V336 WeakPolarHBondContact O-CB 3.49Å; S276-V336 VanDerWaalsContact O-CG2 3.23Å; S276-V336 WeakPolarHBondContact O-CG2 3.4Å; S276-V336 PolarHBondContact O-N 3.07Å | ||
| 277 | D | 92.6 | Very high | 87.8 | Confident | 92 Ų | 92 | 55.6 Ų | 55.6 | 49% | 0.492 | 31% | 0.307 | S | S | . | . | trans | -94.6 | 153.2 | 168.5 | -58.4 | -23.5 | 0 | 0 | 0 | 110.3 | F332 L333 T334 N335 | D277-F332 HydrophobicContact CB-CE2 4.27Å; D277-F332 HydrophobicContact CB-CZ 4.03Å; D277-L333 CarbonylContact C-O 3.53Å; D277-L333 WeakPolarHBondContact CA-O 3.37Å; D277-T334 WeakPolarHBondContact OD1-CA 3.22Å; D277-T334 WeakPolarHBondContact OD1-CB 3.47Å; D277-N335 PolarHBondContact OD1-N 2.89Å | ||
| 278 | V | 92.3 | Very high | 86.6 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.024 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 140.8 | -179.9 | 69.8 | 0 | 0 | 0 | 0 | 112.2 | Q270 V272 F280 L333 V336 L361 | Q270-V278 HydrophobicContact CB-CG2 4.1Å; Q270-V278 VanDerWaalsContact CD-CG2 3.49Å; Q270-V278 HydrophobicContact CG-CG2 4.41Å; V272-V278 HydrophobicContact CG1-CB 4.14Å; V272-V278 HydrophobicContact CG1-CG2 4Å; V278-F280 HydrophobicContact CG1-CE2 4.29Å; V278-F280 HydrophobicContact CG2-CE2 4.41Å; V278-L333 HydrophobicContact CG1-CB 3.84Å; V278-L333 HydrophobicContact CG1-CD1 4.02Å; V278-L333 HydrophobicContact CG1-CG 4.36Å; V278-L333 PolarHBondContact N-O 2.88Å; V278-L333 PolarHBondContact O-N 2.92Å; V278-V336 HydrophobicContact CB-CG2 4.38Å; V278-V336 HydrophobicContact CG1-CG2 3.66Å; V278-L361 HydrophobicContact CG1-CD1 4.24Å; V278-L361 HydrophobicContact CG1-CD2 4.07Å; V278-L361 HydrophobicContact CG2-CD1 4.2Å |
| 279 | E | 93 | Very high | 85.6 | Confident | 90 Ų | 90 | 60.8 Ų | 60.8 | 42% | 0.421 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 126.5 | 177.2 | -24.5 | -158.1 | 136.7 | 0 | 0 | 111.5 | Q270 H281 V330 L331 F332 | Q270-E279 PolarHBondContact NE2-O 3.23Å; E279-H281 IonicContact OE2-CE1 3.9Å; E279-H281 PolarHBondContact OE2-CE1 2.86Å; E279-H281 IonicContact OE2-NE2 3.57Å; E279-V330 HydrophobicContact CB-CG1 4.21Å; E279-L331 CarbonylContact C-O 3.56Å; E279-L331 WeakPolarHBondContact CA-O 3.29Å; E279-F332 HydrophobicContact CB-CD2 4.3Å; E279-F332 HydrophobicContact CG-CD2 3.71Å; E279-F332 HydrophobicContact CG-CE2 3.92Å; E279-F332 WeakPolarHBondContact OE1-CD2 3.49Å; E279-F332 VanDerWaalsContact OE1-CE2 3.3Å; E279-F332 WeakPolarHBondContact OE1-CE2 3.12Å |
| 280 | F | 93.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 126.4 | 168.2 | -68.2 | -79.8 | 0 | 0 | 0 | 110.2 | P267 A268 Q270 V278 W294 V330 L331 L333 Y344 A359 L361 | P267-F280 HydrophobicContact CB-CB 4.2Å; P267-F280 HydrophobicContact CB-CD1 3.95Å; A268-F280 WeakPolarHBondContact O-CE1 3.46Å; Q270-F280 HydrophobicContact CB-CE1 4.26Å; Q270-F280 HydrophobicContact CB-CZ 4.37Å; Q270-F280 HydrophobicContact CG-CE1 4.26Å; V278-F280 HydrophobicContact CG1-CE2 4.29Å; V278-F280 HydrophobicContact CG2-CE2 4.41Å; F280-W294 HydrophobicContact CB-CH2 3.53Å; F280-W294 HydrophobicContact CB-CZ2 4.35Å; F280-W294 HydrophobicContact CB-CZ3 3.72Å; F280-W294 WeakPolarHBondContact O-CZ2 3.33Å; F280-V330 CarbonylContact O-C 3.48Å; F280-V330 WeakPolarHBondContact O-CA 3.49Å; F280-L331 HydrophobicContact CB-CB 4.34Å; F280-L331 HydrophobicContact CD2-CD2 4.35Å; F280-L331 PolarHBondContact N-O 3.17Å; F280-L331 PolarHBondContact O-N 2.94Å; F280-L333 HydrophobicContact CE2-CD1 4.34Å; F280-Y344 HydrophobicContact CE2-CD2 4.31Å; F280-Y344 HydrophobicContact CE2-CG 4.29Å; F280-Y344 HydrophobicContact CZ-CD2 4.5Å; F280-A359 HydrophobicContact CD1-CB 4.07Å; F280-A359 HydrophobicContact CE1-CB 3.87Å; F280-L361 HydrophobicContact CE2-CB 4.41Å; F280-L361 HydrophobicContact CE2-CD1 4.47Å; F280-L361 HydrophobicContact CE2-CD2 4.33Å; F280-L361 HydrophobicContact CZ-CB 3.94Å; F280-L361 HydrophobicContact CZ-CD1 4.08Å; F280-L361 HydrophobicContact CZ-CG 4.41Å |
| 281 | H | 91.8 | Very high | 84.3 | Confident | 77 Ų | 77 | 57.4 Ų | 57.4 | 36% | 0.356 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 144.3 | 175.3 | -53.9 | -70.3 | 0 | 0 | 0 | 111.4 | L266 P267 E279 E329 V330 | L266-H281 WeakPolarHBondContact CB-O 3.36Å; L266-H281 HydrophobicContact CD1-CB 4.37Å; L266-H281 HydrophobicContact CD2-CB 4.34Å; P267-H281 WeakPolarHBondContact CA-O 3.38Å; E279-H281 IonicContact OE2-CE1 3.9Å; E279-H281 PolarHBondContact OE2-CE1 2.86Å; E279-H281 IonicContact OE2-NE2 3.57Å; H281-E329 CarbonylContact C-O 3.57Å; H281-E329 WeakPolarHBondContact CA-O 3.49Å; H281-V330 WeakPolarHBondContact ND1-CG2 3.46Å |
| 282 | C | 87.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -143.3 | 99.1 | 175.2 | 178.4 | 0 | 0 | 0 | 0 | 108.6 | W294 E329 C346 | C282-W294 HydrophobicContact CB-CH2 3.68Å; C282-W294 HydrophobicContact CB-CZ2 3.34Å; C282-E329 PolarHBondContact N-O 2.99Å; C282-E329 WeakPolarHBondContact O-CA 3.43Å; C282-E329 VanDerWaalsContact O-CB 3.22Å; C282-E329 WeakPolarHBondContact O-CB 3.3Å; C282-E329 VanDerWaalsContact O-CG 3.31Å; C282-E329 WeakPolarHBondContact O-CG 3.16Å; C282-C346 HydrophobicContact CB-CB 3.45Å; C282-C346 VanDerWaalsContact CB-CB 3.45Å; C282-C346 WeakPolarHBondContact CB-SG 3.32Å; C282-C346 WeakPolarHBondContact SG-CB 3.3Å; C282-C346 CovalentContact SG-SG 2.02Å; C282-C346 PolarHBondContact SG-SG 3.1Å | ||
| 283 | K | 86.3 | Confident | 84.1 | Confident | 92 Ų | 92 | 54.5 Ų | 54.5 | 40% | 0.4 | 29% | 0.288 | S | S | . | . | trans | -88 | 129.9 | -179.2 | -73 | -179.9 | 169.9 | -174 | 0 | 111 | L262 Q263 L266 E329 | L262-K283 WeakPolarHBondContact CA-O 3.38Å; Q263-K283 HydrophobicContact CB-CB 3.9Å; Q263-K283 PolarHBondContact N-O 2.85Å; Q263-K283 VanDerWaalsContact OE1-CD 3.27Å; L266-K283 HydrophobicContact CD1-CB 4.46Å; L266-K283 HydrophobicContact CD1-CD 4.21Å; L266-K283 HydrophobicContact CD1-CG 4.22Å; K283-E329 VanDerWaalsContact CA-OE1 3.32Å; K283-E329 WeakPolarHBondContact CA-OE1 3.44Å | ||
| 284 | V | 82.1 | Confident | 84.2 | Confident | 17 Ų | 17 | 51.7 Ų | 51.7 | 10% | 0.103 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 119.5 | -168.8 | -170.4 | 0 | 0 | 0 | 0 | 111 | P260 L262 P290 I292 E329 A348 | P260-V284 HydrophobicContact CB-CG1 3.82Å; L262-V284 HydrophobicContact CD2-CB 4.31Å; L262-V284 HydrophobicContact CD2-CG1 4.2Å; L262-V284 HydrophobicContact CD2-CG2 3.63Å; V284-P290 HydrophobicContact CG1-CB 3.98Å; V284-P290 HydrophobicContact CG1-CG 4.3Å; V284-I292 HydrophobicContact CB-CD1 4.02Å; V284-I292 HydrophobicContact CG2-CD1 3.53Å; V284-I292 HydrophobicContact CG2-CG1 3.96Å; V284-E329 PolarHBondContact N-OE1 2.95Å; V284-A348 HydrophobicContact CG1-CB 3.7Å; V284-A348 HydrophobicContact CG2-CB 4.09Å |
| 285 | Y | 78.1 | Confident | 84.2 | Confident | 126 Ų | 126 | 50.1 Ų | 50.1 | 49% | 0.494 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 121.9 | 174.9 | -53.8 | -83.2 | 0 | 0 | 0 | 109.5 | I261 Q263 | I261-Y285 PolarHBondContact N-O 2.98Å; I261-Y285 PolarHBondContact O-N 2.83Å; Q263-Y285 HydrophobicContact CB-CE2 4.17Å; Q263-Y285 PolarHBondContact OE1-OH 3.39Å |
| 286 | S | 69.6 | Low | 84.4 | Confident | 29 Ų | 29 | 49.8 Ų | 49.8 | 20% | 0.203 | 25% | 0.249 | C | C | . | . | trans | -155.7 | 126.6 | -176.9 | -175.5 | 0 | 0 | 0 | 0 | 110.7 | A288 N350 | S286-A288 VanDerWaalsContact CB-O 3.27Å; S286-A288 WeakPolarHBondContact CB-O 3.2Å; S286-A288 PolarHBondContact O-N 2.83Å; S286-A288 PolarHBondContact OG-O 2.89Å; S286-N350 PolarHBondContact OG-ND2 2.95Å | ||
| 287 | D | 62.9 | Low | 84.4 | Confident | 100 Ų | 100 | 49.2 Ų | 49.2 | 54% | 0.535 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -70.6 | -20.9 | 176.1 | -74.5 | -17.7 | 0 | 0 | 0 | 112.6 | H258 | H258-D287 IonicContact CD2-OD2 2.6Å; H258-D287 IonicContact NE2-OD2 2.62Å |
| 288 | A | 65.1 | Low | 84.2 | Confident | 25 Ų | 25 | 47 Ų | 47 | 21% | 0.207 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -107.4 | 148.7 | 170 | 0 | 0 | 0 | 0 | 0 | 110.6 | S286 P290 N350 | S286-A288 VanDerWaalsContact CB-O 3.27Å; S286-A288 WeakPolarHBondContact CB-O 3.2Å; S286-A288 PolarHBondContact O-N 2.83Å; S286-A288 PolarHBondContact OG-O 2.89Å; A288-P290 VanDerWaalsContact O-CD 3.3Å; A288-P290 WeakPolarHBondContact O-CD 3.36Å; A288-P290 VanDerWaalsContact O-N 3.08Å; A288-N350 HydrophobicContact CB-CB 4.28Å |
| 289 | Q | 68.6 | Low | 83.9 | Confident | 140 Ų | 140 | 52.2 Ų | 52.2 | 65% | 0.654 | 25% | 0.252 | S | S | * | . | trans | -50.1 | 115.2 | -178.2 | -170.9 | 70.7 | 47.9 | 0 | 0 | 111.6 | D325 | Q289-D325 PolarHBondContact NE2-OD1 3.05Å; Q289-D325 PolarHBondContact NE2-OD2 2.86Å | ||
| 290 | P | 76.7 | Confident | 83.6 | Confident | 21 Ų | 21 | 50.4 Ų | 50.4 | 14% | 0.136 | 25% | 0.247 | C | C | . | . | trans | -84.6 | 145.6 | -179.6 | 33.3 | -32.7 | 0 | 0 | 0 | 111.4 | P260 V284 A288 G349 | P260-P290 HydrophobicContact CG-CB 4.47Å; V284-P290 HydrophobicContact CG1-CB 3.98Å; V284-P290 HydrophobicContact CG1-CG 4.3Å; A288-P290 VanDerWaalsContact O-CD 3.3Å; A288-P290 WeakPolarHBondContact O-CD 3.36Å; A288-P290 VanDerWaalsContact O-N 3.08Å; P290-G349 CarbonylContact C-O 3.58Å; P290-G349 WeakPolarHBondContact CA-O 3.38Å | ||
| 291 | H | 82.2 | Confident | 83 | Confident | 87 Ų | 87 | 58.4 Ų | 58.4 | 40% | 0.403 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 113.5 | 169.1 | -174.4 | 72.1 | 0 | 0 | 0 | 108.9 | Q293 T318 A319 A348 G349 | H291-Q293 PolarHBondContact CD2-NE2 2.9Å; H291-Q293 VanDerWaalsContact CD2-NE2 3.29Å; H291-Q293 VanDerWaalsContact NE2-CG 3.32Å; H291-Q293 WeakPolarHBondContact NE2-CG 3.5Å; H291-Q293 PolarHBondContact NE2-NE2 2.92Å; H291-T318 WeakPolarHBondContact CE1-CG2 3.39Å; H291-T318 WeakPolarHBondContact NE2-CG2 3Å; H291-A319 WeakPolarHBondContact CE1-CB 3.27Å; H291-A319 PolarHBondContact CE1-N 2.78Å; H291-A319 PolarHBondContact CE1-O 3.14Å; H291-A348 WeakPolarHBondContact O-CA 3.5Å; H291-G349 PolarHBondContact N-O 2.85Å; H291-G349 PolarHBondContact O-N 2.62Å |
| 292 | I | 88.9 | Confident | 82.4 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 133.9 | -174.8 | -54 | 173.4 | 0 | 0 | 0 | 109.8 | V284 L328 E329 L347 A348 | V284-I292 HydrophobicContact CB-CD1 4.02Å; V284-I292 HydrophobicContact CG2-CD1 3.53Å; V284-I292 HydrophobicContact CG2-CG1 3.96Å; I292-L328 HydrophobicContact CB-CB 4.01Å; I292-L328 HydrophobicContact CD1-CB 4.38Å; I292-L328 HydrophobicContact CG2-CB 4.27Å; I292-E329 HydrophobicContact CD1-CG 4.04Å; I292-L347 WeakPolarHBondContact CA-O 3.44Å; I292-A348 HydrophobicContact CG1-CB 4.47Å |
| 293 | Q | 91.3 | Very high | 82.2 | Confident | 46 Ų | 46 | 60.4 Ų | 60.4 | 22% | 0.215 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 144.7 | 175.6 | -58.6 | -174.6 | 9.6 | 0 | 0 | 110.9 | H291 K317 T318 L347 | H291-Q293 PolarHBondContact CD2-NE2 2.9Å; H291-Q293 VanDerWaalsContact CD2-NE2 3.29Å; H291-Q293 VanDerWaalsContact NE2-CG 3.32Å; H291-Q293 WeakPolarHBondContact NE2-CG 3.5Å; H291-Q293 PolarHBondContact NE2-NE2 2.92Å; Q293-K317 CarbonylContact C-O 3.59Å; Q293-K317 VanDerWaalsContact CA-O 3.3Å; Q293-K317 WeakPolarHBondContact CA-O 3.27Å; Q293-T318 HydrophobicContact CG-CG2 4.2Å; Q293-L347 HydrophobicContact CB-CB 4.5Å; Q293-L347 PolarHBondContact N-O 2.83Å; Q293-L347 PolarHBondContact O-N 3.26Å |
| 294 | W | 93.5 | Very high | 81.9 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 133.1 | 169.5 | -74.3 | 90.6 | 0 | 0 | 0 | 110.8 | P267 F280 C282 L316 K317 L328 L331 C346 | P267-W294 HydrophobicContact CB-CH2 3.94Å; P267-W294 HydrophobicContact CB-CZ3 4.11Å; P267-W294 HydrophobicContact CG-CH2 4.1Å; P267-W294 HydrophobicContact CG-CZ3 3.96Å; F280-W294 HydrophobicContact CB-CH2 3.53Å; F280-W294 HydrophobicContact CB-CZ2 4.35Å; F280-W294 HydrophobicContact CB-CZ3 3.72Å; F280-W294 WeakPolarHBondContact O-CZ2 3.33Å; C282-W294 HydrophobicContact CB-CH2 3.68Å; C282-W294 HydrophobicContact CB-CZ2 3.34Å; W294-L316 HydrophobicContact CB-CB 4.44Å; W294-L316 PolarHBondContact O-N 3.29Å; W294-K317 HydrophobicContact CB-CB 4.07Å; W294-K317 HydrophobicContact CG-CB 4.43Å; W294-K317 PolarHBondContact N-O 2.82Å; W294-L328 PolarHBondContact NE1-O 3.43Å; W294-L331 HydrophobicContact CB-CD1 4.36Å; W294-L331 HydrophobicContact CB-CD2 4.24Å; W294-L331 HydrophobicContact CD2-CB 3.56Å; W294-L331 HydrophobicContact CD2-CD2 4.06Å; W294-L331 HydrophobicContact CD2-CG 4.36Å; W294-L331 HydrophobicContact CE3-CB 3.96Å; W294-L331 HydrophobicContact CE3-CD2 3.82Å; W294-L331 HydrophobicContact CG-CB 3.84Å; W294-L331 HydrophobicContact CG-CD1 4.46Å; W294-L331 HydrophobicContact CG-CD2 4.27Å; W294-L331 HydrophobicContact CG-CG 4.42Å; W294-L331 HydrophobicContact CH2-CB 4.42Å; W294-L331 HydrophobicContact CZ2-CB 4.08Å; W294-L331 HydrophobicContact CZ3-CB 4.37Å; W294-L331 HydrophobicContact CZ3-CD2 4.47Å; W294-C346 HydrophobicContact CD2-CB 4.22Å; W294-C346 HydrophobicContact CE3-CB 4.01Å; W294-C346 HydrophobicContact CH2-CB 3.9Å; W294-C346 HydrophobicContact CZ2-CB 4.09Å; W294-C346 HydrophobicContact CZ3-CB 3.85Å |
| 295 | L | 93.1 | Very high | 82 | Confident | 20 Ų | 20 | 65.8 Ų | 65.8 | 11% | 0.105 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 138.1 | -175.2 | -52.2 | 176.9 | 0 | 0 | 0 | 109.4 | V313 N314 V315 Y344 T345 L347 | L295-V313 HydrophobicContact CB-CB 4.28Å; L295-V313 HydrophobicContact CB-CG1 4.46Å; L295-V313 HydrophobicContact CD1-CG2 4.47Å; L295-V313 HydrophobicContact CD2-CG2 4.46Å; L295-N314 CarbonylContact C-O 3.58Å; L295-N314 WeakPolarHBondContact CA-O 3.48Å; L295-V315 HydrophobicContact CD2-CB 4.3Å; L295-V315 HydrophobicContact CD2-CG1 4.38Å; L295-V315 HydrophobicContact CD2-CG2 3.78Å; L295-Y344 CarbonylContact O-C 3.57Å; L295-Y344 VanDerWaalsContact O-CA 3.32Å; L295-Y344 WeakPolarHBondContact O-CA 3.34Å; L295-T345 PolarHBondContact N-O 2.77Å; L295-T345 PolarHBondContact O-N 2.84Å; L295-L347 HydrophobicContact CD1-CB 4.27Å; L295-L347 HydrophobicContact CD1-CD2 4.2Å |
| 296 | K | 93.2 | Very high | 82.2 | Confident | 30 Ų | 30 | 60.3 Ų | 60.3 | 13% | 0.13 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 125 | 166.4 | -179.5 | -177.9 | -176.5 | -174.2 | 0 | 108.5 | V313 N314 L316 E339 D340 Y344 | K296-V313 CarbonylContact O-C 3.56Å; K296-V313 WeakPolarHBondContact O-CA 3.31Å; K296-N314 PolarHBondContact N-O 3.17Å; K296-N314 PolarHBondContact O-N 2.97Å; K296-L316 HydrophobicContact CB-CD1 3.82Å; K296-L316 HydrophobicContact CB-CD2 4.32Å; K296-L316 HydrophobicContact CB-CG 4.07Å; K296-E339 PolarHBondContact NZ-O 2.86Å; K296-D340 IonicContact NZ-OD1 3.46Å; K296-D340 PolarHBondContact NZ-OD1 2.9Å; K296-Y344 HydrophobicContact CB-CD1 4.22Å; K296-Y344 HydrophobicContact CB-CE1 4.05Å; K296-Y344 HydrophobicContact CD-CE1 4.03Å; K296-Y344 WeakPolarHBondContact CE-OH 3.44Å; K296-Y344 HydrophobicContact CG-CD1 4.45Å; K296-Y344 HydrophobicContact CG-CE1 4Å; K296-Y344 HydrophobicContact CG-CE2 4.36Å |
| 297 | H | 90.1 | Very high | 82.6 | Confident | 34 Ų | 34 | 65.5 Ų | 65.5 | 16% | 0.157 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 137.2 | 174.6 | -67.4 | -104.8 | 0 | 0 | 0 | 110 | E343 T345 | H297-E343 HydrophobicContact CB-CB 4.17Å; H297-E343 PolarHBondContact CD2-O 2.54Å; H297-E343 PolarHBondContact N-O 3.02Å; H297-E343 IonicContact NE2-OE1 3.76Å; H297-T345 PolarHBondContact NE2-OG1 2.67Å |
| 298 | I | 89.2 | Confident | 83.4 | Confident | 47 Ų | 47 | 66.9 Ų | 66.9 | 24% | 0.241 | 36% | 0.363 | C | S | . | . | trans | -128.5 | 160.2 | -178 | 60.7 | 167.3 | 0 | 0 | 0 | 110.8 | V300 Y312 N314 | I298-V300 HydrophobicContact CD1-CG2 4.03Å; I298-V300 HydrophobicContact CG1-CG2 4.39Å; I298-Y312 WeakPolarHBondContact CG1-O 3.22Å; I298-Y312 PolarHBondContact N-O 3.3Å; I298-N314 HydrophobicContact CG2-CB 4.41Å | ||
| 299 | E | 85.9 | Confident | 83.9 | Confident | 113 Ų | 113 | 68.1 Ų | 68.1 | 53% | 0.528 | 38% | 0.378 | S | S | . | . | trans | -106.6 | 128.1 | 172.4 | -75.9 | 176.3 | -166.8 | 0 | 0 | 109.8 | S303 R304 | E299-S303 WeakPolarHBondContact CA-O 3.46Å; E299-R304 HydrophobicContact CG-CG 3.49Å; E299-R304 VanDerWaalsContact CG-CG 3.49Å; E299-R304 IonicContact OE1-CZ 2.69Å; E299-R304 IonicContact OE1-NE 3.28Å; E299-R304 PolarHBondContact OE1-NE 3.06Å; E299-R304 IonicContact OE1-NH2 2.75Å; E299-R304 PolarHBondContact OE1-NH2 2.91Å | ||
| 300 | V | 85.9 | Confident | 84.4 | Confident | 51 Ų | 51 | 63.5 Ų | 63.5 | 31% | 0.309 | 36% | 0.364 | S | S | . | . | B | Isolated β-bridge | trans | -119.8 | 121.3 | 176.4 | -176 | 0 | 0 | 0 | 0 | 107.8 | I298 G302 S303 Y312 | I298-V300 HydrophobicContact CD1-CG2 4.03Å; I298-V300 HydrophobicContact CG1-CG2 4.39Å; V300-G302 PolarHBondContact O-N 3.3Å; V300-S303 PolarHBondContact N-O 3.25Å; V300-S303 PolarHBondContact O-N 3.19Å; V300-Y312 HydrophobicContact CB-CD1 4.43Å; V300-Y312 HydrophobicContact CB-CD2 3.84Å; V300-Y312 HydrophobicContact CB-CE1 4.39Å; V300-Y312 HydrophobicContact CB-CE2 3.8Å; V300-Y312 HydrophobicContact CB-CG 4.16Å; V300-Y312 HydrophobicContact CG2-CD1 4.01Å; V300-Y312 HydrophobicContact CG2-CD2 3.95Å; V300-Y312 HydrophobicContact CG2-CE1 4.4Å; V300-Y312 HydrophobicContact CG2-CE2 4.34Å; V300-Y312 HydrophobicContact CG2-CG 3.77Å |
| 301 | N | 81.7 | Confident | 84.8 | Confident | 169 Ų | 169 | 65.1 Ų | 65.1 | 90% | 0.904 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 32.8 | -175.1 | -58.3 | -33.3 | 0 | 0 | 0 | 114.1 | S303 | N301-S303 VanDerWaalsContact C-N 3.32Å; N301-S303 PolarHBondContact O-N 3.19Å |
| 302 | G | 78.6 | Confident | 85.1 | Confident | 70 Ų | 70 | 64.6 Ų | 64.6 | 72% | 0.722 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 5.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | V300 | V300-G302 PolarHBondContact O-N 3.3Š|
| 303 | S | 82.4 | Confident | 85.1 | Confident | 49 Ų | 49 | 66.9 Ų | 66.9 | 34% | 0.343 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -109.3 | 141.2 | 170.7 | -174.8 | 0 | 0 | 0 | 0 | 111.1 | E299 V300 N301 Y305 Y312 | E299-S303 WeakPolarHBondContact CA-O 3.46Å; V300-S303 PolarHBondContact N-O 3.25Å; V300-S303 PolarHBondContact O-N 3.19Å; N301-S303 VanDerWaalsContact C-N 3.32Å; N301-S303 PolarHBondContact O-N 3.19Å; S303-Y305 VanDerWaalsContact C-N 3.35Å; S303-Y305 PolarHBondContact OG-N 2.84Å; S303-Y305 PolarHBondContact OG-O 3.44Å; S303-Y312 WeakPolarHBondContact O-CD2 3.33Å |
| 304 | R | 80.8 | Confident | 85 | Confident | 87 Ų | 87 | 68.8 Ų | 68.8 | 33% | 0.328 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -83.6 | -11.9 | 167.3 | -69.8 | -175.1 | 179.6 | -126.7 | -10.8 | 113.2 | E299 P311 Y312 | E299-R304 HydrophobicContact CG-CG 3.49Å; E299-R304 VanDerWaalsContact CG-CG 3.49Å; E299-R304 IonicContact OE1-CZ 2.69Å; E299-R304 IonicContact OE1-NE 3.28Å; E299-R304 PolarHBondContact OE1-NE 3.06Å; E299-R304 IonicContact OE1-NH2 2.75Å; E299-R304 PolarHBondContact OE1-NH2 2.91Å; R304-P311 CarbonylContact O-C 3.52Å; R304-P311 WeakPolarHBondContact O-CA 3.47Å; R304-Y312 PolarHBondContact O-N 2.88Å |
| 305 | Y | 84.3 | Confident | 84.8 | Confident | 135 Ų | 135 | 72.7 Ų | 72.7 | 53% | 0.529 | 42% | 0.419 | S | S | . | . | B | Isolated β-bridge | trans | -125.3 | 142 | -174.6 | -58.9 | -85.7 | 0 | 0 | 0 | 111.7 | S303 A310 P311 Y312 | S303-Y305 VanDerWaalsContact C-N 3.35Å; S303-Y305 PolarHBondContact OG-N 2.84Å; S303-Y305 PolarHBondContact OG-O 3.44Å; Y305-A310 CarbonylContact C-O 3.43Å; Y305-A310 WeakPolarHBondContact CA-O 3.31Å; Y305-P311 HydrophobicContact CD1-CB 4.12Å; Y305-P311 HydrophobicContact CE1-CB 4.02Å; Y305-Y312 VanDerWaalsContact C-CE2 3.42Å; Y305-Y312 VanDerWaalsContact O-CE2 3.26Å; Y305-Y312 WeakPolarHBondContact O-CE2 3.32Å |
| 306 | G | 83.3 | Confident | 84.5 | Confident | 10 Ų | 10 | 75.2 Ų | 75.2 | 10% | 0.103 | 43% | 0.432 | C | S | . | . | trans | -68.8 | 169.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D308 G309 A310 | G306-D308 PolarHBondContact O-N 3.33Å; G306-D308 VanDerWaalsContact O-N 3.15Å; G306-G309 PolarHBondContact O-N 3.16Å; G306-A310 PolarHBondContact N-O 3.22Å | ||
| 307 | P | 77.8 | Confident | 84.1 | Confident | 138 Ų | 138 | 76.7 Ų | 76.7 | 90% | 0.896 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -12.1 | 177 | 28.9 | -35.6 | 0 | 0 | 0 | 113.7 | ||
| 308 | D | 79.9 | Confident | 83.6 | Confident | 130 Ų | 130 | 77.6 Ų | 77.6 | 70% | 0.695 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -4.5 | 173.3 | 59.2 | -7.9 | 0 | 0 | 0 | 113.5 | G306 A310 | G306-D308 PolarHBondContact O-N 3.33Å; G306-D308 VanDerWaalsContact O-N 3.15Å; D308-A310 PolarHBondContact OD1-N 3.48Å; D308-A310 VanDerWaalsContact OD1-N 3.09Å |
| 309 | G | 74.9 | Confident | 82.6 | Confident | 51 Ų | 51 | 77 Ų | 77 | 53% | 0.526 | 45% | 0.449 | S | S | . | . | S | Bend | trans | 83.2 | 2.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | G306 | G306-G309 PolarHBondContact O-N 3.16Š|
| 310 | A | 78.9 | Confident | 81.4 | Confident | 43 Ų | 43 | 73.7 Ų | 73.7 | 36% | 0.355 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 139.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y305 G306 D308 | Y305-A310 CarbonylContact C-O 3.43Å; Y305-A310 WeakPolarHBondContact CA-O 3.31Å; G306-A310 PolarHBondContact N-O 3.22Å; D308-A310 PolarHBondContact OD1-N 3.48Å; D308-A310 VanDerWaalsContact OD1-N 3.09Å |
| 311 | P | 84.6 | Confident | 79.8 | Confident | 55 Ų | 55 | 79.7 Ų | 79.7 | 36% | 0.357 | 47% | 0.473 | S | S | . | . | B | Isolated β-bridge | trans | -69 | 138.8 | 175.9 | 28.8 | -34 | 0 | 0 | 0 | 110.9 | R304 Y305 V313 | R304-P311 CarbonylContact O-C 3.52Å; R304-P311 WeakPolarHBondContact O-CA 3.47Å; Y305-P311 HydrophobicContact CD1-CB 4.12Å; Y305-P311 HydrophobicContact CE1-CB 4.02Å; P311-V313 HydrophobicContact CB-CG1 4.31Å; P311-V313 HydrophobicContact CG-CG1 4.37Å; P311-V313 PolarHBondContact O-N 2.75Å |
| 312 | Y | 88.1 | Confident | 78.4 | Confident | 76 Ų | 76 | 79 Ų | 79 | 30% | 0.298 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -72 | 117 | 170.3 | -67.2 | -66.1 | 0 | 0 | 0 | 109.4 | I298 V300 S303 R304 Y305 | I298-Y312 WeakPolarHBondContact CG1-O 3.22Å; I298-Y312 PolarHBondContact N-O 3.3Å; V300-Y312 HydrophobicContact CB-CD1 4.43Å; V300-Y312 HydrophobicContact CB-CD2 3.84Å; V300-Y312 HydrophobicContact CB-CE1 4.39Å; V300-Y312 HydrophobicContact CB-CE2 3.8Å; V300-Y312 HydrophobicContact CB-CG 4.16Å; V300-Y312 HydrophobicContact CG2-CD1 4.01Å; V300-Y312 HydrophobicContact CG2-CD2 3.95Å; V300-Y312 HydrophobicContact CG2-CE1 4.4Å; V300-Y312 HydrophobicContact CG2-CE2 4.34Å; V300-Y312 HydrophobicContact CG2-CG 3.77Å; S303-Y312 WeakPolarHBondContact O-CD2 3.33Å; R304-Y312 PolarHBondContact O-N 2.88Å; Y305-Y312 VanDerWaalsContact C-CE2 3.42Å; Y305-Y312 VanDerWaalsContact O-CE2 3.26Å; Y305-Y312 WeakPolarHBondContact O-CE2 3.32Å |
| 313 | V | 89.3 | Confident | 77.6 | Confident | 50 Ų | 50 | 78.4 Ų | 78.4 | 30% | 0.303 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 140.3 | -177.6 | -66.4 | 0 | 0 | 0 | 0 | 111.8 | L295 K296 P311 | L295-V313 HydrophobicContact CB-CB 4.28Å; L295-V313 HydrophobicContact CB-CG1 4.46Å; L295-V313 HydrophobicContact CD1-CG2 4.47Å; L295-V313 HydrophobicContact CD2-CG2 4.46Å; K296-V313 CarbonylContact O-C 3.56Å; K296-V313 WeakPolarHBondContact O-CA 3.31Å; P311-V313 HydrophobicContact CB-CG1 4.31Å; P311-V313 HydrophobicContact CG-CG1 4.37Å; P311-V313 PolarHBondContact O-N 2.75Å |
| 314 | N | 89.8 | Confident | 76.8 | Confident | 85 Ų | 85 | 79.8 Ų | 79.8 | 46% | 0.455 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 127.1 | 166.4 | -83.4 | -16.7 | 0 | 0 | 0 | 109.7 | L295 K296 I298 L316 | L295-N314 CarbonylContact C-O 3.58Å; L295-N314 WeakPolarHBondContact CA-O 3.48Å; K296-N314 PolarHBondContact N-O 3.17Å; K296-N314 PolarHBondContact O-N 2.97Å; I298-N314 HydrophobicContact CG2-CB 4.41Å; N314-L316 PolarHBondContact O-N 3.24Å |
| 315 | V | 89.1 | Confident | 76 | Confident | 84 Ų | 84 | 78.8 Ų | 78.8 | 51% | 0.509 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 116.2 | 174.1 | -173.8 | 0 | 0 | 0 | 0 | 109.1 | L295 T318 | L295-V315 HydrophobicContact CD2-CB 4.3Å; L295-V315 HydrophobicContact CD2-CG1 4.38Å; L295-V315 HydrophobicContact CD2-CG2 3.78Å; V315-T318 WeakPolarHBondContact CG1-OG1 3.18Å |
| 316 | L | 86.7 | Confident | 75.2 | Confident | 73 Ų | 73 | 80.3 Ų | 80.3 | 38% | 0.382 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -35.1 | -177.3 | -62.1 | -174.2 | 0 | 0 | 0 | 113.4 | W294 K296 N314 L331 Y344 | W294-L316 HydrophobicContact CB-CB 4.44Å; W294-L316 PolarHBondContact O-N 3.29Å; K296-L316 HydrophobicContact CB-CD1 3.82Å; K296-L316 HydrophobicContact CB-CD2 4.32Å; K296-L316 HydrophobicContact CB-CG 4.07Å; N314-L316 PolarHBondContact O-N 3.24Å; L316-L331 HydrophobicContact CB-CD1 4.2Å; L316-L331 HydrophobicContact CD1-CD1 4.31Å; L316-L331 HydrophobicContact CD1-CD2 3.96Å; L316-Y344 HydrophobicContact CD1-CD1 3.81Å; L316-Y344 HydrophobicContact CD1-CE1 3.51Å |
| 317 | K | 84.6 | Confident | 74.8 | Confident | 60 Ų | 60 | 84.6 Ų | 84.6 | 26% | 0.261 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 138.4 | -176.1 | -164.8 | 169.9 | -176.8 | 172.8 | 0 | 109.9 | Q293 W294 E327 L328 V330 | Q293-K317 CarbonylContact C-O 3.59Å; Q293-K317 VanDerWaalsContact CA-O 3.3Å; Q293-K317 WeakPolarHBondContact CA-O 3.27Å; W294-K317 HydrophobicContact CB-CB 4.07Å; W294-K317 HydrophobicContact CG-CB 4.43Å; W294-K317 PolarHBondContact N-O 2.82Å; K317-E327 VanDerWaalsContact CE-O 3.31Å; K317-E327 WeakPolarHBondContact CE-O 3.5Å; K317-E327 PolarHBondContact NZ-O 2.91Å; K317-L328 HydrophobicContact CD-CD2 4.49Å; K317-L328 HydrophobicContact CG-CD2 4.02Å; K317-V330 PolarHBondContact NZ-O 2.79Å |
| 318 | T | 80 | Confident | 74.9 | Confident | 53 Ų | 53 | 78 Ų | 78 | 33% | 0.325 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 152.1 | -178 | -67.8 | 0 | 0 | 0 | 0 | 108.5 | H291 Q293 V315 G320 | H291-T318 WeakPolarHBondContact CE1-CG2 3.39Å; H291-T318 WeakPolarHBondContact NE2-CG2 3Å; Q293-T318 HydrophobicContact CG-CG2 4.2Å; V315-T318 WeakPolarHBondContact CG1-OG1 3.18Å; T318-G320 PolarHBondContact O-N 3.23Å |
| 319 | A | 67.1 | Low | 75.1 | Confident | 36 Ų | 36 | 73.9 Ų | 73.9 | 30% | 0.298 | 42% | 0.42 | S | S | . | . | trans | -57.9 | 123.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | H291 L328 | H291-A319 WeakPolarHBondContact CE1-CB 3.27Å; H291-A319 PolarHBondContact CE1-N 2.78Å; H291-A319 PolarHBondContact CE1-O 3.14Å; A319-L328 HydrophobicContact CB-CD1 3.52Å | ||
| 320 | G | 60.9 | Low | 75.8 | Confident | 42 Ų | 42 | 73.3 Ų | 73.3 | 43% | 0.433 | 41% | 0.406 | S | S | . | . | trans | -115.6 | 175.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T318 N322 T323 | T318-G320 PolarHBondContact O-N 3.23Å; G320-N322 PolarHBondContact O-N 3.16Å; G320-T323 PolarHBondContact N-OG1 2.8Å; G320-T323 PolarHBondContact O-N 3.27Å; G320-T323 PolarHBondContact O-OG1 3.32Å; G320-T323 VanDerWaalsContact O-OG1 3.06Å | ||
| 321 | I | 52.3 | Low | 76.4 | Confident | 177 Ų | 177 | 71.6 Ų | 71.6 | 91% | 0.908 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -24.2 | -169.9 | -60.6 | 169.8 | 0 | 0 | 0 | 113.8 | ||
| 322 | N | 53 | Low | 76.7 | Confident | 156 Ų | 156 | 73.8 Ų | 73.8 | 83% | 0.834 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118 | 0.8 | -176.2 | -66.4 | -12 | 0 | 0 | 0 | 114.7 | G320 | G320-N322 PolarHBondContact O-N 3.16Š|
| 323 | T | 62.7 | Low | 76.9 | Confident | 57 Ų | 57 | 71.6 Ų | 71.6 | 35% | 0.35 | 39% | 0.388 | S | S | . | . | trans | -91.2 | 131.2 | -178.3 | 48.9 | 0 | 0 | 0 | 0 | 111 | G320 | G320-T323 PolarHBondContact N-OG1 2.8Å; G320-T323 PolarHBondContact O-N 3.27Å; G320-T323 PolarHBondContact O-OG1 3.32Å; G320-T323 VanDerWaalsContact O-OG1 3.06Å | ||
| 324 | T | 65.9 | Low | 76.9 | Confident | 78 Ų | 78 | 73.3 Ų | 73.3 | 48% | 0.479 | 40% | 0.399 | S | S | . | . | trans | -82.6 | 151.7 | 175.8 | 64 | 0 | 0 | 0 | 0 | 111.9 | K326 E327 L328 | T324-K326 PolarHBondContact O-N 3.16Å; T324-E327 PolarHBondContact N-OE2 3.06Å; T324-E327 WeakPolarHBondContact O-CB 3.3Å; T324-E327 PolarHBondContact O-N 3.25Å; T324-E327 VanDerWaalsContact OG1-CD 3.29Å; T324-E327 WeakPolarHBondContact OG1-CG 3.34Å; T324-E327 PolarHBondContact OG1-OE2 2.83Å; T324-L328 PolarHBondContact O-N 3.45Å | ||
| 325 | D | 63.4 | Low | 76.9 | Confident | 65 Ų | 65 | 74.4 Ų | 74.4 | 35% | 0.348 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -55 | -39.3 | 179.1 | -58.2 | -43.7 | 0 | 0 | 0 | 112 | Q289 E327 L328 E329 | Q289-D325 PolarHBondContact NE2-OD1 3.05Å; Q289-D325 PolarHBondContact NE2-OD2 2.86Å; D325-E327 VanDerWaalsContact C-N 3.27Å; D325-E327 PolarHBondContact O-N 3.26Å; D325-L328 CarbonylContact O-C 3.58Å; D325-L328 WeakPolarHBondContact O-CA 3.27Å; D325-L328 WeakPolarHBondContact O-CB 3.39Å; D325-L328 PolarHBondContact O-N 3.47Å; D325-E329 WeakPolarHBondContact O-CG 3.17Å; D325-E329 PolarHBondContact O-N 3.5Å |
| 326 | K | 66.8 | Low | 77.1 | Confident | 167 Ų | 167 | 70.5 Ų | 70.5 | 73% | 0.726 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.8 | -30 | 176.8 | -70 | -174.7 | 177.6 | -179.9 | 0 | 114 | T324 | T324-K326 PolarHBondContact O-N 3.16Å |
| 327 | E | 74 | Confident | 77.4 | Confident | 100 Ų | 100 | 69.6 Ų | 69.6 | 47% | 0.467 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -77.9 | -31.9 | 173.2 | -68.8 | 163.1 | 133.1 | 0 | 0 | 110.9 | K317 T324 D325 E329 V330 | K317-E327 VanDerWaalsContact CE-O 3.31Å; K317-E327 WeakPolarHBondContact CE-O 3.5Å; K317-E327 PolarHBondContact NZ-O 2.91Å; T324-E327 PolarHBondContact N-OE2 3.06Å; T324-E327 WeakPolarHBondContact O-CB 3.3Å; T324-E327 PolarHBondContact O-N 3.25Å; T324-E327 VanDerWaalsContact OG1-CD 3.29Å; T324-E327 WeakPolarHBondContact OG1-CG 3.34Å; T324-E327 PolarHBondContact OG1-OE2 2.83Å; D325-E327 VanDerWaalsContact C-N 3.27Å; D325-E327 PolarHBondContact O-N 3.26Å; E327-E329 VanDerWaalsContact C-N 3.35Å; E327-V330 PolarHBondContact O-N 3.41Å; E327-V330 VanDerWaalsContact O-O 3.04Å |
| 328 | L | 80.6 | Confident | 77.7 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.005 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -73 | -26.8 | 176.4 | -59.9 | 170.1 | 0 | 0 | 0 | 112.4 | I292 W294 K317 A319 T324 D325 V330 | I292-L328 HydrophobicContact CB-CB 4.01Å; I292-L328 HydrophobicContact CD1-CB 4.38Å; I292-L328 HydrophobicContact CG2-CB 4.27Å; W294-L328 PolarHBondContact NE1-O 3.43Å; K317-L328 HydrophobicContact CD-CD2 4.49Å; K317-L328 HydrophobicContact CG-CD2 4.02Å; A319-L328 HydrophobicContact CB-CD1 3.52Å; T324-L328 PolarHBondContact O-N 3.45Å; D325-L328 CarbonylContact O-C 3.58Å; D325-L328 WeakPolarHBondContact O-CA 3.27Å; D325-L328 WeakPolarHBondContact O-CB 3.39Å; D325-L328 PolarHBondContact O-N 3.47Å; L328-V330 PolarHBondContact O-N 3.17Å; L328-V330 VanDerWaalsContact O-N 3.1Å |
| 329 | E | 85.4 | Confident | 78.1 | Confident | 43 Ų | 43 | 78 Ų | 78 | 20% | 0.201 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -11.6 | 169.7 | -68.3 | -161.3 | 141.5 | 0 | 0 | 113.8 | H281 C282 K283 V284 I292 D325 E327 | H281-E329 CarbonylContact C-O 3.57Å; H281-E329 WeakPolarHBondContact CA-O 3.49Å; C282-E329 PolarHBondContact N-O 2.99Å; C282-E329 WeakPolarHBondContact O-CA 3.43Å; C282-E329 VanDerWaalsContact O-CB 3.22Å; C282-E329 WeakPolarHBondContact O-CB 3.3Å; C282-E329 VanDerWaalsContact O-CG 3.31Å; C282-E329 WeakPolarHBondContact O-CG 3.16Å; K283-E329 VanDerWaalsContact CA-OE1 3.32Å; K283-E329 WeakPolarHBondContact CA-OE1 3.44Å; V284-E329 PolarHBondContact N-OE1 2.95Å; I292-E329 HydrophobicContact CD1-CG 4.04Å; D325-E329 WeakPolarHBondContact O-CG 3.17Å; D325-E329 PolarHBondContact O-N 3.5Å; E327-E329 VanDerWaalsContact C-N 3.35Å |
| 330 | V | 88.8 | Confident | 79.2 | Confident | 38 Ų | 38 | 78.1 Ų | 78.1 | 23% | 0.23 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 125.3 | -179.6 | -168.1 | 0 | 0 | 0 | 0 | 111.7 | E279 F280 H281 K317 E327 L328 | E279-V330 HydrophobicContact CB-CG1 4.21Å; F280-V330 CarbonylContact O-C 3.48Å; F280-V330 WeakPolarHBondContact O-CA 3.49Å; H281-V330 WeakPolarHBondContact ND1-CG2 3.46Å; K317-V330 PolarHBondContact NZ-O 2.79Å; E327-V330 PolarHBondContact O-N 3.41Å; E327-V330 VanDerWaalsContact O-O 3.04Å; L328-V330 PolarHBondContact O-N 3.17Å; L328-V330 VanDerWaalsContact O-N 3.1Å |
| 331 | L | 91.4 | Very high | 80.6 | Confident | 7 Ų | 7 | 78.2 Ų | 78.2 | 4% | 0.037 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 122.9 | 166.5 | 174.6 | 68.6 | 0 | 0 | 0 | 109 | E279 F280 W294 L316 L333 Y344 | E279-L331 CarbonylContact C-O 3.56Å; E279-L331 WeakPolarHBondContact CA-O 3.29Å; F280-L331 HydrophobicContact CB-CB 4.34Å; F280-L331 HydrophobicContact CD2-CD2 4.35Å; F280-L331 PolarHBondContact N-O 3.17Å; F280-L331 PolarHBondContact O-N 2.94Å; W294-L331 HydrophobicContact CB-CD1 4.36Å; W294-L331 HydrophobicContact CB-CD2 4.24Å; W294-L331 HydrophobicContact CD2-CB 3.56Å; W294-L331 HydrophobicContact CD2-CD2 4.06Å; W294-L331 HydrophobicContact CD2-CG 4.36Å; W294-L331 HydrophobicContact CE3-CB 3.96Å; W294-L331 HydrophobicContact CE3-CD2 3.82Å; W294-L331 HydrophobicContact CG-CB 3.84Å; W294-L331 HydrophobicContact CG-CD1 4.46Å; W294-L331 HydrophobicContact CG-CD2 4.27Å; W294-L331 HydrophobicContact CG-CG 4.42Å; W294-L331 HydrophobicContact CH2-CB 4.42Å; W294-L331 HydrophobicContact CZ2-CB 4.08Å; W294-L331 HydrophobicContact CZ3-CB 4.37Å; W294-L331 HydrophobicContact CZ3-CD2 4.47Å; L316-L331 HydrophobicContact CB-CD1 4.2Å; L316-L331 HydrophobicContact CD1-CD1 4.31Å; L316-L331 HydrophobicContact CD1-CD2 3.96Å; L331-L333 HydrophobicContact CD1-CD2 4.35Å; L331-L333 HydrophobicContact CG-CD2 4.43Å; L331-L333 HydrophobicContact CG-CG 4.42Å; L331-Y344 HydrophobicContact CD2-CD1 3.64Å; L331-Y344 HydrophobicContact CD2-CE1 4.14Å |
| 332 | F | 91 | Very high | 82.4 | Confident | 102 Ų | 102 | 70.2 Ų | 70.2 | 45% | 0.447 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 128.7 | 177.7 | -170.1 | -115.4 | 0 | 0 | 0 | 109.3 | D277 E279 T334 | D277-F332 HydrophobicContact CB-CE2 4.27Å; D277-F332 HydrophobicContact CB-CZ 4.03Å; E279-F332 HydrophobicContact CB-CD2 4.3Å; E279-F332 HydrophobicContact CG-CD2 3.71Å; E279-F332 HydrophobicContact CG-CE2 3.92Å; E279-F332 WeakPolarHBondContact OE1-CD2 3.49Å; E279-F332 VanDerWaalsContact OE1-CE2 3.3Å; E279-F332 WeakPolarHBondContact OE1-CE2 3.12Å; F332-T334 HydrophobicContact CD1-CG2 3.79Å; F332-T334 HydrophobicContact CE1-CG2 3.2Å; F332-T334 HydrophobicContact CZ-CG2 3.91Å |
| 333 | L | 91.6 | Very high | 84.4 | Confident | 29 Ų | 29 | 65.1 Ų | 65.1 | 15% | 0.152 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 130 | 175 | -56.6 | 170.5 | 0 | 0 | 0 | 108 | D277 V278 F280 L331 V336 Y344 L361 | D277-L333 CarbonylContact C-O 3.53Å; D277-L333 WeakPolarHBondContact CA-O 3.37Å; V278-L333 HydrophobicContact CG1-CB 3.84Å; V278-L333 HydrophobicContact CG1-CD1 4.02Å; V278-L333 HydrophobicContact CG1-CG 4.36Å; V278-L333 PolarHBondContact N-O 2.88Å; V278-L333 PolarHBondContact O-N 2.92Å; F280-L333 HydrophobicContact CE2-CD1 4.34Å; L331-L333 HydrophobicContact CD1-CD2 4.35Å; L331-L333 HydrophobicContact CG-CD2 4.43Å; L331-L333 HydrophobicContact CG-CG 4.42Å; L333-V336 HydrophobicContact CB-CG2 4.2Å; L333-Y344 HydrophobicContact CD1-CD1 4.47Å; L333-Y344 HydrophobicContact CD1-CE1 3.62Å; L333-L361 HydrophobicContact CD1-CD2 4.1Å |
| 334 | T | 90.3 | Very high | 85.9 | Confident | 87 Ų | 87 | 62.4 Ų | 62.4 | 53% | 0.534 | 32% | 0.321 | S | S | . | . | trans | -107 | 148.8 | -179.7 | 49.8 | 0 | 0 | 0 | 0 | 111.4 | D277 F332 V336 | D277-T334 WeakPolarHBondContact OD1-CA 3.22Å; D277-T334 WeakPolarHBondContact OD1-CB 3.47Å; F332-T334 HydrophobicContact CD1-CG2 3.79Å; F332-T334 HydrophobicContact CE1-CG2 3.2Å; F332-T334 HydrophobicContact CZ-CG2 3.91Å; T334-V336 PolarHBondContact O-N 3.32Å | ||
| 335 | N | 89.8 | Confident | 87.2 | Confident | 108 Ų | 108 | 59 Ų | 59 | 58% | 0.578 | 30% | 0.301 | S | S | * | . | S | Bend | trans | 51.5 | 51.4 | 173.1 | -173.1 | 35.1 | 0 | 0 | 0 | 112.7 | G275 S276 D277 | G275-N335 WeakPolarHBondContact CA-OD1 3.35Å; S276-N335 PolarHBondContact O-N 3.35Å; D277-N335 PolarHBondContact OD1-N 2.89Å |
| 336 | V | 92.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | trans | -57.5 | 132.2 | -170.6 | 172.6 | 0 | 0 | 0 | 0 | 112.3 | V272 V274 G275 S276 V278 L333 T334 D340 L361 V363 | V272-V336 HydrophobicContact CG2-CB 4.22Å; V272-V336 HydrophobicContact CG2-CG1 3.82Å; V274-V336 WeakPolarHBondContact CA-O 3.19Å; G275-V336 PolarHBondContact N-O 2.76Å; S276-V336 VanDerWaalsContact O-CB 3.32Å; S276-V336 WeakPolarHBondContact O-CB 3.49Å; S276-V336 VanDerWaalsContact O-CG2 3.23Å; S276-V336 WeakPolarHBondContact O-CG2 3.4Å; S276-V336 PolarHBondContact O-N 3.07Å; V278-V336 HydrophobicContact CB-CG2 4.38Å; V278-V336 HydrophobicContact CG1-CG2 3.66Å; L333-V336 HydrophobicContact CB-CG2 4.2Å; T334-V336 PolarHBondContact O-N 3.32Å; V336-D340 HydrophobicContact CG1-CB 3.94Å; V336-L361 HydrophobicContact CG1-CD2 4.02Å; V336-V363 HydrophobicContact CG1-CG1 4.28Å; V336-V363 HydrophobicContact CG1-CG2 3.52Å | ||
| 337 | T | 92.9 | Very high | 89.9 | Confident | 54 Ų | 54 | 49.9 Ų | 49.9 | 33% | 0.331 | 26% | 0.259 | S | S | . | . | trans | -108.9 | 172.4 | 179.5 | 72.6 | 0 | 0 | 0 | 0 | 112.3 | E339 D340 | T337-E339 PolarHBondContact O-N 2.91Å; T337-E339 PolarHBondContact OG1-N 2.61Å; T337-D340 PolarHBondContact N-OD2 3.02Å; T337-D340 WeakPolarHBondContact O-CB 3.39Å; T337-D340 PolarHBondContact O-N 2.95Å; T337-D340 PolarHBondContact OG1-OD2 3.33Å | ||
| 338 | F | 91 | Very high | 90.6 | Very high | 120 Ų | 120 | 45.1 Ų | 45.1 | 53% | 0.526 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -63.3 | -24.7 | 172.4 | -70.2 | -65.7 | 0 | 0 | 0 | 113.5 | V274 D340 A341 V363 P365 | V274-F338 HydrophobicContact CG2-CD1 4.25Å; V274-F338 HydrophobicContact CG2-CD2 3.89Å; V274-F338 HydrophobicContact CG2-CE1 3.9Å; V274-F338 HydrophobicContact CG2-CE2 3.52Å; V274-F338 HydrophobicContact CG2-CG 4.25Å; V274-F338 HydrophobicContact CG2-CZ 3.52Å; F338-D340 PolarHBondContact O-N 2.87Å; F338-A341 WeakPolarHBondContact O-CB 3.41Å; F338-A341 PolarHBondContact O-N 3.34Å; F338-V363 HydrophobicContact CD1-CB 4.14Å; F338-V363 HydrophobicContact CD1-CG1 4.02Å; F338-V363 HydrophobicContact CE1-CG1 4.28Å; F338-V363 WeakPolarHBondContact CE1-O 3.48Å; F338-P365 HydrophobicContact CZ-CB 4.06Å |
| 339 | E | 88.3 | Confident | 90.8 | Very high | 170 Ų | 170 | 45.2 Ų | 45.2 | 79% | 0.794 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -72.9 | -13.6 | 175.1 | -59.6 | -177.9 | -174.3 | 0 | 0 | 112.2 | K296 T337 | K296-E339 PolarHBondContact NZ-O 2.86Å; T337-E339 PolarHBondContact O-N 2.91Å; T337-E339 PolarHBondContact OG1-N 2.61Å |
| 340 | D | 89.7 | Confident | 90.7 | Very high | 39 Ų | 39 | 44 Ų | 44 | 21% | 0.209 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -88.3 | -11.2 | 174.6 | -60.7 | -58.5 | 0 | 0 | 0 | 113.7 | K296 V336 T337 F338 G342 Y344 L361 | K296-D340 IonicContact NZ-OD1 3.46Å; K296-D340 PolarHBondContact NZ-OD1 2.9Å; V336-D340 HydrophobicContact CG1-CB 3.94Å; T337-D340 PolarHBondContact N-OD2 3.02Å; T337-D340 WeakPolarHBondContact O-CB 3.39Å; T337-D340 PolarHBondContact O-N 2.95Å; T337-D340 PolarHBondContact OG1-OD2 3.33Å; F338-D340 PolarHBondContact O-N 2.87Å; D340-G342 PolarHBondContact O-N 2.99Å; D340-Y344 WeakPolarHBondContact O-CE2 3.19Å; D340-Y344 PolarHBondContact O-OH 2.73Å; D340-L361 HydrophobicContact CB-CD2 4.43Å |
| 341 | A | 90.6 | Very high | 90.1 | Very high | 44 Ų | 44 | 47.3 Ų | 47.3 | 36% | 0.364 | 26% | 0.258 | S | S | . | . | trans | -62.9 | 135.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111 | F338 L361 V363 | F338-A341 WeakPolarHBondContact O-CB 3.41Å; F338-A341 PolarHBondContact O-N 3.34Å; A341-L361 WeakPolarHBondContact CA-O 3.49Å; A341-V363 HydrophobicContact CB-CB 4.35Å; A341-V363 HydrophobicContact CB-CG2 3.98Å | ||
| 342 | G | 91.3 | Very high | 89.5 | Confident | 8 Ų | 8 | 51.1 Ų | 51.1 | 8% | 0.082 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.1 | -169.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D340 W360 L361 | D340-G342 PolarHBondContact O-N 2.99Å; G342-W360 WeakPolarHBondContact O-CA 3.47Å; G342-L361 PolarHBondContact N-O 3.16Å; G342-L361 VanDerWaalsContact N-O 3.1Å; G342-L361 PolarHBondContact O-N 3.36Å |
| 343 | E | 93.9 | Very high | 89 | Confident | 49 Ų | 49 | 47.1 Ų | 47.1 | 23% | 0.229 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 131.7 | 179.8 | -170.9 | -180 | 167.4 | 0 | 0 | 111.3 | H297 S358 W360 | H297-E343 HydrophobicContact CB-CB 4.17Å; H297-E343 PolarHBondContact CD2-O 2.54Å; H297-E343 PolarHBondContact N-O 3.02Å; H297-E343 IonicContact NE2-OE1 3.76Å; E343-S358 WeakPolarHBondContact OE1-CB 3.38Å; E343-S358 PolarHBondContact OE1-OG 2.87Å; E343-W360 HydrophobicContact CB-CE3 3.8Å; E343-W360 HydrophobicContact CB-CZ3 3.86Å; E343-W360 HydrophobicContact CG-CE3 4.31Å |
| 344 | Y | 94.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 0% | 0.004 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 123.4 | 178.3 | -70.4 | -101.8 | 0 | 0 | 0 | 109.4 | F280 L295 K296 L316 L331 L333 D340 S358 A359 L361 | F280-Y344 HydrophobicContact CE2-CD2 4.31Å; F280-Y344 HydrophobicContact CE2-CG 4.29Å; F280-Y344 HydrophobicContact CZ-CD2 4.5Å; L295-Y344 CarbonylContact O-C 3.57Å; L295-Y344 VanDerWaalsContact O-CA 3.32Å; L295-Y344 WeakPolarHBondContact O-CA 3.34Å; K296-Y344 HydrophobicContact CB-CD1 4.22Å; K296-Y344 HydrophobicContact CB-CE1 4.05Å; K296-Y344 HydrophobicContact CD-CE1 4.03Å; K296-Y344 WeakPolarHBondContact CE-OH 3.44Å; K296-Y344 HydrophobicContact CG-CD1 4.45Å; K296-Y344 HydrophobicContact CG-CE1 4Å; K296-Y344 HydrophobicContact CG-CE2 4.36Å; L316-Y344 HydrophobicContact CD1-CD1 3.81Å; L316-Y344 HydrophobicContact CD1-CE1 3.51Å; L331-Y344 HydrophobicContact CD2-CD1 3.64Å; L331-Y344 HydrophobicContact CD2-CE1 4.14Å; L333-Y344 HydrophobicContact CD1-CD1 4.47Å; L333-Y344 HydrophobicContact CD1-CE1 3.62Å; D340-Y344 WeakPolarHBondContact O-CE2 3.19Å; D340-Y344 PolarHBondContact O-OH 2.73Å; Y344-S358 CarbonylContact O-C 3.56Å; Y344-S358 WeakPolarHBondContact O-CA 3.45Å; Y344-A359 PolarHBondContact N-O 3.09Å; Y344-A359 PolarHBondContact O-N 3.11Å; Y344-L361 HydrophobicContact CD2-CB 4.06Å; Y344-L361 HydrophobicContact CE2-CB 3.78Å; Y344-L361 HydrophobicContact CE2-CD2 4.04Å |
| 345 | T | 93.8 | Very high | 88.4 | Confident | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.043 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 129.9 | -179.5 | -55.2 | 0 | 0 | 0 | 0 | 110.4 | L295 H297 Y356 H357 S358 | L295-T345 PolarHBondContact N-O 2.77Å; L295-T345 PolarHBondContact O-N 2.84Å; H297-T345 PolarHBondContact NE2-OG1 2.67Å; T345-Y356 HydrophobicContact CG2-CD2 4.16Å; T345-Y356 HydrophobicContact CG2-CG 4.41Å; T345-H357 WeakPolarHBondContact CA-O 3.5Å; T345-S358 PolarHBondContact OG1-OG 3.27Å |
| 346 | C | 93.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 128.6 | 161.8 | 176.6 | 0 | 0 | 0 | 0 | 109 | C282 W294 Y356 H357 | C282-C346 HydrophobicContact CB-CB 3.45Å; C282-C346 VanDerWaalsContact CB-CB 3.45Å; C282-C346 WeakPolarHBondContact CB-SG 3.32Å; C282-C346 WeakPolarHBondContact SG-CB 3.3Å; C282-C346 CovalentContact SG-SG 2.02Å; C282-C346 PolarHBondContact SG-SG 3.1Å; W294-C346 HydrophobicContact CD2-CB 4.22Å; W294-C346 HydrophobicContact CE3-CB 4.01Å; W294-C346 HydrophobicContact CH2-CB 3.9Å; W294-C346 HydrophobicContact CZ2-CB 4.09Å; W294-C346 HydrophobicContact CZ3-CB 3.85Å; C346-Y356 WeakPolarHBondContact O-CA 3.27Å; C346-Y356 WeakPolarHBondContact O-CB 3.33Å; C346-H357 PolarHBondContact N-O 3.33Å; C346-H357 PolarHBondContact O-N 3.5Å; C346-H357 VanDerWaalsContact O-N 3.08Å |
| 347 | L | 92.4 | Very high | 88.6 | Confident | 39 Ų | 39 | 54.6 Ų | 54.6 | 20% | 0.204 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 121.3 | 177.1 | 175.6 | 67.5 | 0 | 0 | 0 | 108.9 | I292 Q293 L295 F354 | I292-L347 WeakPolarHBondContact CA-O 3.44Å; Q293-L347 HydrophobicContact CB-CB 4.5Å; Q293-L347 PolarHBondContact N-O 2.83Å; Q293-L347 PolarHBondContact O-N 3.26Å; L295-L347 HydrophobicContact CD1-CB 4.27Å; L295-L347 HydrophobicContact CD1-CD2 4.2Å; L347-F354 HydrophobicContact CD1-CB 4.13Å; L347-F354 HydrophobicContact CD1-CD1 4.28Å |
| 348 | A | 89.1 | Confident | 88.6 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | P260 L262 V284 H291 I292 F354 A355 | P260-A348 HydrophobicContact CB-CB 3.92Å; P260-A348 HydrophobicContact CG-CB 4.33Å; L262-A348 HydrophobicContact CD2-CB 3.76Å; V284-A348 HydrophobicContact CG1-CB 3.7Å; V284-A348 HydrophobicContact CG2-CB 4.09Å; H291-A348 WeakPolarHBondContact O-CA 3.5Å; I292-A348 HydrophobicContact CG1-CB 4.47Å; A348-F354 CarbonylContact O-C 3.55Å; A348-F354 VanDerWaalsContact O-CA 3.3Å; A348-F354 WeakPolarHBondContact O-CA 3.42Å; A348-A355 PolarHBondContact N-O 3Å; A348-A355 PolarHBondContact O-N 2.93Å |
| 349 | G | 85.3 | Confident | 88.8 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 150.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P290 H291 G353 | P290-G349 CarbonylContact C-O 3.58Å; P290-G349 WeakPolarHBondContact CA-O 3.38Å; H291-G349 PolarHBondContact N-O 2.85Å; H291-G349 PolarHBondContact O-N 2.62Å; G349-G353 CarbonylContact C-O 3.58Å; G349-G353 WeakPolarHBondContact CA-O 3.12Å |
| 350 | N | 83.5 | Confident | 89.1 | Confident | 17 Ų | 17 | 45.3 Ų | 45.3 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | -173 | 163.5 | 70.8 | 14.5 | 0 | 0 | 0 | 109.5 | H258 P260 S286 A288 I352 G353 | H258-N350 PolarHBondContact O-ND2 3.46Å; P260-N350 VanDerWaalsContact CD-CG 3.49Å; P260-N350 HydrophobicContact CG-CB 3.89Å; S286-N350 PolarHBondContact OG-ND2 2.95Å; A288-N350 HydrophobicContact CB-CB 4.28Å; N350-I352 PolarHBondContact O-N 3.3Å; N350-I352 WeakPolarHBondContact OD1-CA 3.35Å; N350-I352 VanDerWaalsContact OD1-CB 3.31Å; N350-I352 WeakPolarHBondContact OD1-CB 3.49Å; N350-I352 PolarHBondContact OD1-N 2.76Å; N350-G353 PolarHBondContact N-O 2.78Å; N350-G353 PolarHBondContact O-N 3.38Å; N350-G353 PolarHBondContact OD1-N 3.37Å |
| 351 | S | 76.1 | Confident | 89.4 | Confident | 108 Ų | 108 | 43.5 Ų | 43.5 | 76% | 0.755 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | -11.3 | 179.1 | 51.8 | 0 | 0 | 0 | 0 | 115.3 | ||
| 352 | I | 78.2 | Confident | 89.5 | Confident | 87 Ų | 87 | 44 Ų | 44 | 45% | 0.446 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -27.1 | 179.9 | -49.5 | -58.7 | 0 | 0 | 0 | 112 | P257 N350 | P257-I352 HydrophobicContact CB-CD1 3.93Å; P257-I352 HydrophobicContact CB-CG1 3.9Å; P257-I352 HydrophobicContact CG-CD1 3.83Å; P257-I352 HydrophobicContact CG-CG1 4.33Å; N350-I352 PolarHBondContact O-N 3.3Å; N350-I352 WeakPolarHBondContact OD1-CA 3.35Å; N350-I352 VanDerWaalsContact OD1-CB 3.31Å; N350-I352 WeakPolarHBondContact OD1-CB 3.49Å; N350-I352 PolarHBondContact OD1-N 2.76Å |
| 353 | G | 79.4 | Confident | 89.6 | Confident | 18 Ų | 18 | 44.3 Ų | 44.3 | 19% | 0.186 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157.2 | -164.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | P260 G349 N350 | P260-G353 WeakPolarHBondContact CD-O 3.46Å; G349-G353 CarbonylContact C-O 3.58Å; G349-G353 WeakPolarHBondContact CA-O 3.12Å; N350-G353 PolarHBondContact N-O 2.78Å; N350-G353 PolarHBondContact O-N 3.38Å; N350-G353 PolarHBondContact OD1-N 3.37Å |
| 354 | F | 85.1 | Confident | 89.4 | Confident | 137 Ų | 137 | 45.9 Ų | 45.9 | 60% | 0.601 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 152.6 | -173 | -58.8 | -92.8 | 0 | 0 | 0 | 112.8 | L347 A348 | L347-F354 HydrophobicContact CD1-CB 4.13Å; L347-F354 HydrophobicContact CD1-CD1 4.28Å; A348-F354 CarbonylContact O-C 3.55Å; A348-F354 VanDerWaalsContact O-CA 3.3Å; A348-F354 WeakPolarHBondContact O-CA 3.42Å |
| 355 | A | 86.3 | Confident | 89.1 | Confident | 18 Ų | 18 | 49.7 Ų | 49.7 | 15% | 0.149 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 148.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | P260 L262 A348 | P260-A355 WeakPolarHBondContact O-CB 3.16Å; L262-A355 HydrophobicContact CD1-CB 4.49Å; L262-A355 HydrophobicContact CG-CB 4.18Å; A348-A355 PolarHBondContact N-O 3Å; A348-A355 PolarHBondContact O-N 2.93Å |
| 356 | Y | 92.3 | Very high | 88.2 | Confident | 160 Ų | 160 | 52.4 Ų | 52.4 | 63% | 0.627 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 152.2 | -178.9 | 66.7 | -90.2 | 0 | 0 | 0 | 112.1 | L262 T345 C346 | L262-Y356 VanDerWaalsContact CD1-C 3.4Å; L262-Y356 VanDerWaalsContact CD1-CA 3.5Å; T345-Y356 HydrophobicContact CG2-CD2 4.16Å; T345-Y356 HydrophobicContact CG2-CG 4.41Å; C346-Y356 WeakPolarHBondContact O-CA 3.27Å; C346-Y356 WeakPolarHBondContact O-CB 3.33Å |
| 357 | H | 93.3 | Very high | 87.2 | Confident | 67 Ų | 67 | 58.4 Ų | 58.4 | 31% | 0.31 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 142.5 | 169.4 | -79.4 | 165.9 | 0 | 0 | 0 | 109.4 | L262 Q263 L266 T345 C346 | L262-H357 HydrophobicContact CD1-CB 4.01Å; Q263-H357 PolarHBondContact O-ND1 2.86Å; L266-H357 WeakPolarHBondContact O-CB 3.12Å; L266-H357 PolarHBondContact O-ND1 3.37Å; T345-H357 WeakPolarHBondContact CA-O 3.5Å; C346-H357 PolarHBondContact N-O 3.33Å; C346-H357 PolarHBondContact O-N 3.5Å; C346-H357 VanDerWaalsContact O-N 3.08Å |
| 358 | S | 93.3 | Very high | 85.6 | Confident | 46 Ų | 46 | 64.1 Ų | 64.1 | 32% | 0.322 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 152.5 | 178.7 | -67.2 | 0 | 0 | 0 | 0 | 112.7 | E343 Y344 T345 | E343-S358 WeakPolarHBondContact OE1-CB 3.38Å; E343-S358 PolarHBondContact OE1-OG 2.87Å; Y344-S358 CarbonylContact O-C 3.56Å; Y344-S358 WeakPolarHBondContact O-CA 3.45Å; T345-S358 PolarHBondContact OG1-OG 3.27Å |
| 359 | A | 94.4 | Very high | 84 | Confident | 2 Ų | 2 | 69.4 Ų | 69.4 | 2% | 0.017 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 152.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P267 A268 N269 F280 Y344 | P267-A359 HydrophobicContact CB-CB 3.62Å; P267-A359 HydrophobicContact CG-CB 3.76Å; A268-A359 WeakPolarHBondContact O-CB 3.28Å; N269-A359 WeakPolarHBondContact OD1-CA 3.36Å; F280-A359 HydrophobicContact CD1-CB 4.07Å; F280-A359 HydrophobicContact CE1-CB 3.87Å; Y344-A359 PolarHBondContact N-O 3.09Å; Y344-A359 PolarHBondContact O-N 3.11Å |
| 360 | W | 95 | Very high | 82.7 | Confident | 102 Ų | 102 | 71.9 Ų | 71.9 | 39% | 0.386 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 134.4 | 176.8 | -154.6 | -83.7 | 0 | 0 | 0 | 111.8 | N269 Q270 G342 E343 | N269-W360 WeakPolarHBondContact CA-O 3.43Å; N269-W360 PolarHBondContact OD1-N 3.44Å; Q270-W360 PolarHBondContact N-O 3.36Å; G342-W360 WeakPolarHBondContact O-CA 3.47Å; E343-W360 HydrophobicContact CB-CE3 3.8Å; E343-W360 HydrophobicContact CB-CZ3 3.86Å; E343-W360 HydrophobicContact CG-CE3 4.31Å |
| 361 | L | 95.3 | Very high | 81.2 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 119.1 | 168.5 | -173 | 53.8 | 0 | 0 | 0 | 109.7 | Q270 V272 V278 F280 L333 V336 D340 A341 G342 Y344 V363 | Q270-L361 HydrophobicContact CB-CD1 4.26Å; V272-L361 HydrophobicContact CG2-CD1 3.97Å; V278-L361 HydrophobicContact CG1-CD1 4.24Å; V278-L361 HydrophobicContact CG1-CD2 4.07Å; V278-L361 HydrophobicContact CG2-CD1 4.2Å; F280-L361 HydrophobicContact CE2-CB 4.41Å; F280-L361 HydrophobicContact CE2-CD1 4.47Å; F280-L361 HydrophobicContact CE2-CD2 4.33Å; F280-L361 HydrophobicContact CZ-CB 3.94Å; F280-L361 HydrophobicContact CZ-CD1 4.08Å; F280-L361 HydrophobicContact CZ-CG 4.41Å; L333-L361 HydrophobicContact CD1-CD2 4.1Å; V336-L361 HydrophobicContact CG1-CD2 4.02Å; D340-L361 HydrophobicContact CB-CD2 4.43Å; A341-L361 WeakPolarHBondContact CA-O 3.49Å; G342-L361 PolarHBondContact N-O 3.16Å; G342-L361 VanDerWaalsContact N-O 3.1Å; G342-L361 PolarHBondContact O-N 3.36Å; Y344-L361 HydrophobicContact CD2-CB 4.06Å; Y344-L361 HydrophobicContact CE2-CB 3.78Å; Y344-L361 HydrophobicContact CE2-CD2 4.04Å; L361-V363 HydrophobicContact CG-CG2 4.17Å |
| 362 | T | 92.9 | Very high | 80.3 | Confident | 55 Ų | 55 | 80 Ų | 80 | 34% | 0.337 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 130.4 | 173.4 | -54.6 | 0 | 0 | 0 | 0 | 109.1 | Q270 T271 V272 L364 | Q270-T362 PolarHBondContact O-N 2.83Å; T271-T362 CarbonylContact C-O 3.51Å; T271-T362 VanDerWaalsContact CA-O 3.28Å; T271-T362 WeakPolarHBondContact CA-O 3.4Å; T271-T362 HydrophobicContact CG2-CG2 4.08Å; V272-T362 PolarHBondContact N-O 3.08Å; T362-L364 HydrophobicContact CG2-CD2 4.38Å |
| 363 | V | 93.4 | Very high | 79.3 | Confident | 14 Ų | 14 | 82.2 Ų | 82.2 | 9% | 0.085 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 125.4 | -178.2 | -174.4 | 0 | 0 | 0 | 0 | 109.6 | V272 V274 V336 F338 A341 L361 | V272-V363 HydrophobicContact CG2-CG2 4.32Å; V272-V363 CarbonylContact O-C 3.5Å; V272-V363 WeakPolarHBondContact O-CA 3.38Å; V274-V363 HydrophobicContact CB-CG1 4.47Å; V274-V363 HydrophobicContact CG2-CG1 3.61Å; V336-V363 HydrophobicContact CG1-CG1 4.28Å; V336-V363 HydrophobicContact CG1-CG2 3.52Å; F338-V363 HydrophobicContact CD1-CB 4.14Å; F338-V363 HydrophobicContact CD1-CG1 4.02Å; F338-V363 HydrophobicContact CE1-CG1 4.28Å; F338-V363 WeakPolarHBondContact CE1-O 3.48Å; A341-V363 HydrophobicContact CB-CB 4.35Å; A341-V363 HydrophobicContact CB-CG2 3.98Å; L361-V363 HydrophobicContact CG-CG2 4.17Å |
| 364 | L | 90.2 | Very high | 78.4 | Confident | 82 Ų | 82 | 89.2 Ų | 89.2 | 43% | 0.429 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 145.5 | -176.7 | -61.9 | -178.7 | 0 | 0 | 0 | 111.4 | T271 V272 V273 V274 T362 | T271-L364 HydrophobicContact CG2-CD1 3.57Å; T271-L364 HydrophobicContact CG2-CD2 4.36Å; T271-L364 HydrophobicContact CG2-CG 3.73Å; V272-L364 PolarHBondContact O-N 2.9Å; V273-L364 WeakPolarHBondContact CA-O 3.15Å; V274-L364 PolarHBondContact N-O 3.13Å; T362-L364 HydrophobicContact CG2-CD2 4.38Å |
| 365 | P | 87.6 | Confident | 77.3 | Confident | 82 Ų | 82 | 89.8 Ų | 89.8 | 53% | 0.532 | 48% | 0.478 | S | S | . | . | trans | -62.2 | 143.4 | 174 | 26.8 | -34.3 | 0 | 0 | 0 | 111.4 | F338 V367 | F338-P365 HydrophobicContact CZ-CB 4.06Å; P365-V367 PolarHBondContact O-N 2.4Å; P365-V367 VanDerWaalsContact O-N 3.15Å | ||
| 366 | A | 76 | Confident | 76.3 | Confident | 64 Ų | 64 | 91.2 Ų | 91.2 | 53% | 0.529 | 49% | 0.49 | S | S | . | . | trans | -65.5 | 112.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | V273 N368 | V273-A366 HydrophobicContact CG1-CB 3.88Å; A366-N368 PolarHBondContact O-N 3.29Å | ||
| 367 | V | 71.4 | Confident | 75.2 | Confident | 125 Ų | 125 | 88 Ų | 88 | 76% | 0.758 | 48% | 0.484 | S | S | * | . | trans | -78.5 | 116.2 | 175 | -179.5 | 0 | 0 | 0 | 0 | 108.5 | P365 S369 | P365-V367 PolarHBondContact O-N 2.4Å; P365-V367 VanDerWaalsContact O-N 3.15Å; V367-S369 PolarHBondContact O-N 2.74Å | ||
| 368 | N | 59.3 | Low | 74.3 | Confident | 160 Ų | 160 | 87.8 Ų | 87.8 | 86% | 0.856 | 48% | 0.484 | S | S | * | . | trans | -71.5 | 78.6 | 170.7 | -80.1 | -29.8 | 0 | 0 | 0 | 110.5 | A366 G370 | A366-N368 PolarHBondContact O-N 3.29Å; N368-G370 VanDerWaalsContact C-N 3.26Å; N368-G370 PolarHBondContact O-N 2.88Å | ||
| 369 | S | 56.4 | Low | 73.5 | Confident | 110 Ų | 110 | 90.8 Ų | 90.8 | 77% | 0.769 | 50% | 0.496 | S | S | * | . | trans | -69.1 | 81.9 | 170.5 | 58.5 | 0 | 0 | 0 | 0 | 110 | V367 | V367-S369 PolarHBondContact O-N 2.74Š| ||
| 370 | G | 57.4 | Low | 72.9 | Confident | 55 Ų | 55 | 95.9 Ų | 95.9 | 57% | 0.567 | 52% | 0.522 | S | S | * | . | trans | -161 | 51.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N368 | N368-G370 VanDerWaalsContact C-N 3.26Å; N368-G370 PolarHBondContact O-N 2.88Å | ||
| 371 | K | 51.6 | Low | 72.2 | Confident | 163 Ų | 163 | 99.4 Ų | 99.4 | 71% | 0.709 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -169.4 | -26.2 | 160.7 | -101.1 | 135.7 | -160.3 | 170.6 | 0 | 115.3 | Y375 | K371-Y375 WeakPolarHBondContact O-CD2 3.41Š|
| 372 | D | 56.8 | Low | 71.7 | Confident | 134 Ų | 134 | 104.3 Ų | 104.3 | 72% | 0.717 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -77.6 | -37.7 | -165.4 | -61 | -25.7 | 0 | 0 | 0 | 114.2 | Y374 Y375 | D372-Y374 VanDerWaalsContact C-N 3.27Å; D372-Y374 PolarHBondContact O-N 3.44Å; D372-Y375 PolarHBondContact O-N 3.19Å |
| 373 | D | 58.6 | Low | 71.3 | Confident | 132 Ų | 132 | 105.7 Ų | 105.7 | 71% | 0.706 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.1 | -32.7 | 179 | -62.5 | -36.8 | 0 | 0 | 0 | 113 | Y375 A376 D377 | D373-Y375 VanDerWaalsContact C-N 3.28Å; D373-Y375 PolarHBondContact O-N 2.81Å; D373-A376 PolarHBondContact O-N 2.56Å; D373-A376 VanDerWaalsContact O-N 3.17Å; D373-D377 PolarHBondContact O-N 3.17Å |
| 374 | Y | 60.4 | Low | 70.9 | Confident | 166 Ų | 166 | 106.9 Ų | 106.9 | 65% | 0.651 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.7 | -32 | -179.8 | -175.3 | -107.9 | 0 | 0 | 0 | 112.9 | D372 I378 | D372-Y374 VanDerWaalsContact C-N 3.27Å; D372-Y374 PolarHBondContact O-N 3.44Å; Y374-I378 HydrophobicContact CD1-CD1 3.82Å; Y374-I378 HydrophobicContact CE1-CD1 3.39Å; Y374-I378 HydrophobicContact CE2-CD1 4.32Å; Y374-I378 HydrophobicContact CG-CD1 4.45Å; Y374-I378 WeakPolarHBondContact O-CG1 2.95Å; Y374-I378 PolarHBondContact O-N 3.47Å |
| 375 | Y | 61.5 | Low | 70.7 | Confident | 149 Ų | 149 | 106.6 Ų | 106.6 | 58% | 0.584 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -77.1 | -32.5 | 176.2 | -71.6 | -78.7 | 0 | 0 | 0 | 112.3 | K371 D372 D373 L379 | K371-Y375 WeakPolarHBondContact O-CD2 3.41Å; D372-Y375 PolarHBondContact O-N 3.19Å; D373-Y375 VanDerWaalsContact C-N 3.28Å; D373-Y375 PolarHBondContact O-N 2.81Å; Y375-L379 VanDerWaalsContact O-CG 3.28Å; Y375-L379 WeakPolarHBondContact O-CG 3.29Å; Y375-L379 PolarHBondContact O-N 3.04Å |
| 376 | A | 66.3 | Low | 70.7 | Confident | 48 Ų | 48 | 106.5 Ų | 106.5 | 40% | 0.397 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.3 | -47.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D373 I378 L379 I380 | D373-A376 PolarHBondContact O-N 2.56Å; D373-A376 VanDerWaalsContact O-N 3.17Å; A376-I378 PolarHBondContact O-N 3.39Å; A376-L379 PolarHBondContact O-N 2.83Å; A376-I380 WeakPolarHBondContact O-CG1 3.35Å; A376-I380 PolarHBondContact O-N 2.8Å |
| 377 | D | 67.6 | Low | 71.3 | Confident | 93 Ų | 93 | 109.3 Ų | 109.3 | 50% | 0.497 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.3 | -44.7 | 176.8 | -80 | -20.2 | 0 | 0 | 0 | 112 | D373 L379 I380 Y381 | D373-D377 PolarHBondContact O-N 3.17Å; D377-L379 VanDerWaalsContact C-N 3.31Å; D377-L379 PolarHBondContact O-N 3.32Å; D377-I380 PolarHBondContact O-N 2.76Å; D377-Y381 WeakPolarHBondContact O-CD2 3.34Å; D377-Y381 PolarHBondContact O-N 2.89Å |
| 378 | I | 74.2 | Confident | 72.1 | Confident | 62 Ų | 62 | 110.3 Ų | 110.3 | 32% | 0.318 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -59.4 | -41.8 | 176.5 | -73 | 171.8 | 0 | 0 | 0 | 111.5 | Y374 A376 Y381 L382 | Y374-I378 HydrophobicContact CD1-CD1 3.82Å; Y374-I378 HydrophobicContact CE1-CD1 3.39Å; Y374-I378 HydrophobicContact CE2-CD1 4.32Å; Y374-I378 HydrophobicContact CG-CD1 4.45Å; Y374-I378 WeakPolarHBondContact O-CG1 2.95Å; Y374-I378 PolarHBondContact O-N 3.47Å; A376-I378 PolarHBondContact O-N 3.39Å; I378-Y381 PolarHBondContact O-N 2.85Å; I378-L382 HydrophobicContact CG2-CD1 3.74Å; I378-L382 HydrophobicContact CG2-CG 4.3Å; I378-L382 WeakPolarHBondContact O-CB 3.38Å; I378-L382 VanDerWaalsContact O-CG 3.29Å; I378-L382 WeakPolarHBondContact O-CG 3.2Å; I378-L382 PolarHBondContact O-N 3.38Å |
| 379 | L | 76.2 | Confident | 73.4 | Confident | 108 Ų | 108 | 106.9 Ų | 106.9 | 57% | 0.565 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.3 | -37.3 | 177.8 | -73 | 168.1 | 0 | 0 | 0 | 112.1 | Y375 A376 D377 T383 | Y375-L379 VanDerWaalsContact O-CG 3.28Å; Y375-L379 WeakPolarHBondContact O-CG 3.29Å; Y375-L379 PolarHBondContact O-N 3.04Å; A376-L379 PolarHBondContact O-N 2.83Å; D377-L379 VanDerWaalsContact C-N 3.31Å; D377-L379 PolarHBondContact O-N 3.32Å; L379-T383 WeakPolarHBondContact O-CB 2.96Å; L379-T383 WeakPolarHBondContact O-CG2 3.47Å; L379-T383 PolarHBondContact O-N 2.58Å; L379-T383 PolarHBondContact O-OG1 3.31Å |
| 380 | I | 81.9 | Confident | 74.9 | Confident | 110 Ų | 110 | 107.8 Ų | 107.8 | 56% | 0.564 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.6 | -45.5 | 174.5 | -67.2 | 164.9 | 0 | 0 | 0 | 110.6 | A376 D377 T383 G384 | A376-I380 WeakPolarHBondContact O-CG1 3.35Å; A376-I380 PolarHBondContact O-N 2.8Å; D377-I380 PolarHBondContact O-N 2.76Å; I380-T383 PolarHBondContact O-OG1 3.38Å; I380-T383 VanDerWaalsContact O-OG1 3.09Å; I380-G384 PolarHBondContact O-N 3.41Å |
| 381 | Y | 82 | Confident | 76.2 | Confident | 175 Ų | 175 | 107.5 Ų | 107.5 | 69% | 0.686 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.4 | -42 | 176.8 | -87.4 | -76.4 | 0 | 0 | 0 | 112.6 | D377 I378 C385 | D377-Y381 WeakPolarHBondContact O-CD2 3.34Å; D377-Y381 PolarHBondContact O-N 2.89Å; I378-Y381 PolarHBondContact O-N 2.85Å; Y381-C385 WeakPolarHBondContact O-CB 3.47Å; Y381-C385 PolarHBondContact O-N 3.06Å; Y381-C385 PolarHBondContact O-SG 2.93Å |
| 382 | L | 83.6 | Confident | 77.7 | Confident | 104 Ų | 104 | 103.4 Ų | 103.4 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.7 | -46 | 177.3 | -75.5 | 171 | 0 | 0 | 0 | 112.1 | I378 C385 V386 | I378-L382 HydrophobicContact CG2-CD1 3.74Å; I378-L382 HydrophobicContact CG2-CG 4.3Å; I378-L382 WeakPolarHBondContact O-CB 3.38Å; I378-L382 VanDerWaalsContact O-CG 3.29Å; I378-L382 WeakPolarHBondContact O-CG 3.2Å; I378-L382 PolarHBondContact O-N 3.38Å; L382-C385 PolarHBondContact O-N 3.43Å; L382-V386 WeakPolarHBondContact O-CG2 3.39Å; L382-V386 PolarHBondContact O-N 3.19Å |
| 383 | T | 84.6 | Confident | 79 | Confident | 83 Ų | 83 | 100.3 Ų | 100.3 | 51% | 0.509 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 177.2 | 49 | 0 | 0 | 0 | 0 | 111.8 | L379 I380 C385 V386 L387 | L379-T383 WeakPolarHBondContact O-CB 2.96Å; L379-T383 WeakPolarHBondContact O-CG2 3.47Å; L379-T383 PolarHBondContact O-N 2.58Å; L379-T383 PolarHBondContact O-OG1 3.31Å; I380-T383 PolarHBondContact O-OG1 3.38Å; I380-T383 VanDerWaalsContact O-OG1 3.09Å; T383-C385 PolarHBondContact O-N 3.39Å; T383-V386 PolarHBondContact O-N 3.04Å; T383-L387 WeakPolarHBondContact O-CG 3.5Å; T383-L387 PolarHBondContact O-N 3.22Å |
| 384 | G | 84.9 | Confident | 80.2 | Confident | 40 Ų | 40 | 98.8 Ų | 98.8 | 41% | 0.412 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59 | -44.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I380 L387 F388 | I380-G384 PolarHBondContact O-N 3.41Å; G384-L387 PolarHBondContact O-N 3.12Å; G384-F388 WeakPolarHBondContact O-CB 3.32Å; G384-F388 PolarHBondContact O-N 2.84Å |
| 385 | C | 86.1 | Confident | 81.2 | Confident | 76 Ų | 76 | 94.5 Ų | 94.5 | 51% | 0.514 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 176.5 | -71.9 | 0 | 0 | 0 | 0 | 112.4 | Y381 L382 T383 F388 V389 | Y381-C385 WeakPolarHBondContact O-CB 3.47Å; Y381-C385 PolarHBondContact O-N 3.06Å; Y381-C385 PolarHBondContact O-SG 2.93Å; L382-C385 PolarHBondContact O-N 3.43Å; T383-C385 PolarHBondContact O-N 3.39Å; C385-F388 PolarHBondContact O-N 2.86Å; C385-V389 WeakPolarHBondContact O-CG2 3.16Å; C385-V389 PolarHBondContact O-N 3.46Å |
| 386 | V | 88.5 | Confident | 82 | Confident | 80 Ų | 80 | 93.7 Ų | 93.7 | 49% | 0.485 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 177.6 | 170 | 0 | 0 | 0 | 0 | 111.1 | L382 T383 F388 V389 F390 | L382-V386 WeakPolarHBondContact O-CG2 3.39Å; L382-V386 PolarHBondContact O-N 3.19Å; T383-V386 PolarHBondContact O-N 3.04Å; V386-F388 VanDerWaalsContact C-N 3.34Å; V386-F388 PolarHBondContact O-N 3.4Å; V386-V389 PolarHBondContact O-N 2.78Å; V386-F390 HydrophobicContact CG1-CD2 3.76Å; V386-F390 HydrophobicContact CG1-CE2 3.74Å; V386-F390 WeakPolarHBondContact O-CD2 3.16Å; V386-F390 PolarHBondContact O-N 2.62Å |
| 387 | L | 88.1 | Confident | 82.6 | Confident | 123 Ų | 123 | 96.3 Ų | 96.3 | 64% | 0.644 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.5 | -39.3 | 176.8 | -70.4 | 172.8 | 0 | 0 | 0 | 112.3 | T383 G384 F390 A391 | T383-L387 WeakPolarHBondContact O-CG 3.5Å; T383-L387 PolarHBondContact O-N 3.22Å; G384-L387 PolarHBondContact O-N 3.12Å; L387-F390 PolarHBondContact O-N 2.96Å; L387-A391 PolarHBondContact O-N 2.76Å |
| 388 | F | 87.4 | Confident | 82.7 | Confident | 146 Ų | 146 | 95.4 Ų | 95.4 | 64% | 0.64 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.4 | -44 | 175 | -176.7 | -99.7 | 0 | 0 | 0 | 112.2 | G384 C385 V386 F390 A391 V392 | G384-F388 WeakPolarHBondContact O-CB 3.32Å; G384-F388 PolarHBondContact O-N 2.84Å; C385-F388 PolarHBondContact O-N 2.86Å; V386-F388 VanDerWaalsContact C-N 3.34Å; V386-F388 PolarHBondContact O-N 3.4Å; F388-F390 PolarHBondContact O-N 2.92Å; F388-A391 PolarHBondContact O-N 3.3Å; F388-V392 HydrophobicContact CD1-CG2 4.29Å; F388-V392 HydrophobicContact CE1-CG2 3.9Å; F388-V392 HydrophobicContact CZ-CG2 4.05Å; F388-V392 WeakPolarHBondContact O-CG2 3.3Å; F388-V392 PolarHBondContact O-N 3.17Å |
| 389 | V | 87.1 | Confident | 82.5 | Confident | 88 Ų | 88 | 101.4 Ų | 101.4 | 53% | 0.533 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 175.5 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | C385 V386 A391 V392 V393 | C385-V389 WeakPolarHBondContact O-CG2 3.16Å; C385-V389 PolarHBondContact O-N 3.46Å; V386-V389 PolarHBondContact O-N 2.78Å; V389-A391 VanDerWaalsContact C-N 3.35Å; V389-A391 PolarHBondContact O-N 2.96Å; V389-V392 PolarHBondContact O-N 2.82Å; V389-V393 HydrophobicContact CG1-CG2 4.45Å; V389-V393 WeakPolarHBondContact O-CG2 3.32Å; V389-V393 PolarHBondContact O-N 2.88Å |
| 390 | F | 88.4 | Confident | 82.1 | Confident | 128 Ų | 128 | 101.4 Ų | 101.4 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.9 | -42.4 | 174.1 | -88.9 | -69.7 | 0 | 0 | 0 | 112.4 | V386 L387 F388 V392 V393 I394 | V386-F390 HydrophobicContact CG1-CD2 3.76Å; V386-F390 HydrophobicContact CG1-CE2 3.74Å; V386-F390 WeakPolarHBondContact O-CD2 3.16Å; V386-F390 PolarHBondContact O-N 2.62Å; L387-F390 PolarHBondContact O-N 2.96Å; F388-F390 PolarHBondContact O-N 2.92Å; F390-V392 PolarHBondContact O-N 3.49Å; F390-V393 PolarHBondContact O-N 2.77Å; F390-I394 WeakPolarHBondContact O-CB 3.5Å; F390-I394 VanDerWaalsContact O-CG1 3.27Å; F390-I394 WeakPolarHBondContact O-CG1 3.42Å; F390-I394 PolarHBondContact O-N 2.76Å |
| 391 | A | 83.8 | Confident | 81.1 | Confident | 49 Ų | 49 | 106.4 Ų | 106.4 | 41% | 0.405 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L387 F388 V389 I394 V395 | L387-A391 PolarHBondContact O-N 2.76Å; F388-A391 PolarHBondContact O-N 3.3Å; V389-A391 VanDerWaalsContact C-N 3.35Å; V389-A391 PolarHBondContact O-N 2.96Å; A391-I394 PolarHBondContact O-N 3.36Å; A391-V395 WeakPolarHBondContact O-CG2 3.33Å; A391-V395 PolarHBondContact O-N 2.82Å |
| 392 | V | 84.2 | Confident | 79.9 | Confident | 78 Ų | 78 | 105.9 Ų | 105.9 | 47% | 0.473 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64 | -42.3 | 175.9 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | F388 V389 F390 V395 F396 | F388-V392 HydrophobicContact CD1-CG2 4.29Å; F388-V392 HydrophobicContact CE1-CG2 3.9Å; F388-V392 HydrophobicContact CZ-CG2 4.05Å; F388-V392 WeakPolarHBondContact O-CG2 3.3Å; F388-V392 PolarHBondContact O-N 3.17Å; V389-V392 PolarHBondContact O-N 2.82Å; F390-V392 PolarHBondContact O-N 3.49Å; V392-V395 PolarHBondContact O-N 3.46Å; V392-F396 WeakPolarHBondContact O-CB 3.47Å; V392-F396 PolarHBondContact O-N 2.84Å |
| 393 | V | 84.3 | Confident | 78.2 | Confident | 69 Ų | 69 | 106.5 Ų | 106.5 | 42% | 0.418 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.3 | -43.5 | 175.6 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | V389 F390 F396 L397 | V389-V393 HydrophobicContact CG1-CG2 4.45Å; V389-V393 WeakPolarHBondContact O-CG2 3.32Å; V389-V393 PolarHBondContact O-N 2.88Å; F390-V393 PolarHBondContact O-N 2.77Å; V393-F396 PolarHBondContact O-N 3.43Å; V393-L397 HydrophobicContact CG1-CD1 3.94Å; V393-L397 HydrophobicContact CG1-CG 4.36Å; V393-L397 VanDerWaalsContact O-CG 3.31Å; V393-L397 WeakPolarHBondContact O-CG 3.31Å; V393-L397 PolarHBondContact O-N 2.85Å |
| 394 | I | 83.6 | Confident | 76.4 | Confident | 99 Ų | 99 | 107.2 Ų | 107.2 | 51% | 0.508 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.6 | -46.1 | 175.7 | -69.4 | 165.4 | 0 | 0 | 0 | 110.5 | F390 A391 F396 L397 C398 | F390-I394 WeakPolarHBondContact O-CB 3.5Å; F390-I394 VanDerWaalsContact O-CG1 3.27Å; F390-I394 WeakPolarHBondContact O-CG1 3.42Å; F390-I394 PolarHBondContact O-N 2.76Å; A391-I394 PolarHBondContact O-N 3.36Å; I394-F396 VanDerWaalsContact C-N 3.29Å; I394-F396 PolarHBondContact O-N 2.79Å; I394-L397 PolarHBondContact O-N 3.12Å; I394-C398 WeakPolarHBondContact O-CB 3.38Å; I394-C398 PolarHBondContact O-N 3.39Å; I394-C398 PolarHBondContact O-SG 2.94Å |
| 395 | V | 81.6 | Confident | 74.2 | Confident | 77 Ų | 77 | 114.3 Ų | 114.3 | 47% | 0.467 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.8 | -38.5 | 176.4 | 168.7 | 0 | 0 | 0 | 0 | 111.7 | A391 V392 R399 | A391-V395 WeakPolarHBondContact O-CG2 3.33Å; A391-V395 PolarHBondContact O-N 2.82Å; V392-V395 PolarHBondContact O-N 3.46Å; V395-R399 WeakPolarHBondContact O-CB 3.3Å; V395-R399 WeakPolarHBondContact O-CG 3.2Å; V395-R399 PolarHBondContact O-N 3.18Å |
| 396 | F | 78.8 | Confident | 71.8 | Confident | 132 Ų | 132 | 120.3 Ų | 120.3 | 58% | 0.579 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.2 | -47.3 | 175.9 | -171.3 | -102.9 | 0 | 0 | 0 | 111.9 | V392 V393 I394 C398 R399 M400 | V392-F396 WeakPolarHBondContact O-CB 3.47Å; V392-F396 PolarHBondContact O-N 2.84Å; V393-F396 PolarHBondContact O-N 3.43Å; I394-F396 VanDerWaalsContact C-N 3.29Å; I394-F396 PolarHBondContact O-N 2.79Å; F396-C398 PolarHBondContact O-N 3.41Å; F396-R399 PolarHBondContact O-N 3.18Å; F396-R399 VanDerWaalsContact O-N 3.15Å; F396-M400 HydrophobicContact CD1-CG 4.3Å; F396-M400 HydrophobicContact CD1-SD 3.85Å; F396-M400 HydrophobicContact CE1-CG 4.06Å; F396-M400 HydrophobicContact CE1-SD 3.34Å; F396-M400 WeakPolarHBondContact CE1-SD 3.43Å; F396-M400 HydrophobicContact CZ-CG 4.35Å; F396-M400 HydrophobicContact CZ-SD 3.99Å; F396-M400 WeakPolarHBondContact O-CG 3.09Å; F396-M400 PolarHBondContact O-N 3.28Å |
| 397 | L | 76.9 | Confident | 69.2 | Low | 103 Ų | 103 | 123 Ų | 123 | 54% | 0.539 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -61.6 | -41.4 | 175.6 | -69.3 | 171.6 | 0 | 0 | 0 | 112.1 | V393 I394 R399 M400 R401 | V393-L397 HydrophobicContact CG1-CD1 3.94Å; V393-L397 HydrophobicContact CG1-CG 4.36Å; V393-L397 VanDerWaalsContact O-CG 3.31Å; V393-L397 WeakPolarHBondContact O-CG 3.31Å; V393-L397 PolarHBondContact O-N 2.85Å; I394-L397 PolarHBondContact O-N 3.12Å; L397-R399 VanDerWaalsContact C-N 3.35Å; L397-R399 PolarHBondContact O-N 2.88Å; L397-M400 PolarHBondContact O-N 2.89Å; L397-R401 WeakPolarHBondContact O-CB 3.37Å; L397-R401 PolarHBondContact O-N 3.09Å |
| 398 | C | 71.4 | Confident | 66.8 | Low | 74 Ų | 74 | 124.3 Ų | 124.3 | 50% | 0.5 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -62.1 | -40.3 | 173.3 | -73.9 | 0 | 0 | 0 | 0 | 112 | I394 F396 R401 M402 | I394-C398 WeakPolarHBondContact O-CB 3.38Å; I394-C398 PolarHBondContact O-N 3.39Å; I394-C398 PolarHBondContact O-SG 2.94Å; F396-C398 PolarHBondContact O-N 3.41Å; C398-R401 PolarHBondContact O-N 2.78Å; C398-M402 VanDerWaalsContact O-CG 3.25Å; C398-M402 WeakPolarHBondContact O-CG 3.31Å; C398-M402 PolarHBondContact O-N 3.34Å; C398-M402 VanDerWaalsContact O-N 3.16Å |
| 399 | R | 68.5 | Low | 64.6 | Low | 188 Ų | 188 | 123.1 Ų | 123.1 | 71% | 0.709 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67.7 | -42.9 | 176 | -80.3 | -179.1 | 166.8 | 171.7 | -2.4 | 112.5 | V395 F396 L397 R401 M402 T403 | V395-R399 WeakPolarHBondContact O-CB 3.3Å; V395-R399 WeakPolarHBondContact O-CG 3.2Å; V395-R399 PolarHBondContact O-N 3.18Å; F396-R399 PolarHBondContact O-N 3.18Å; F396-R399 VanDerWaalsContact O-N 3.15Å; L397-R399 VanDerWaalsContact C-N 3.35Å; L397-R399 PolarHBondContact O-N 2.88Å; R399-R401 VanDerWaalsContact C-N 3.31Å; R399-R401 PolarHBondContact O-N 3.03Å; R399-M402 PolarHBondContact O-N 2.87Å; R399-T403 PolarHBondContact O-N 2.76Å; R399-T403 PolarHBondContact O-OG1 3.06Å |
| 400 | M | 67.9 | Low | 62 | Low | 108 Ų | 108 | 124.7 Ų | 124.7 | 53% | 0.532 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -61.2 | -38.2 | 174.4 | -69.7 | -172.7 | 78.6 | 0 | 0 | 112.5 | F396 L397 M402 T403 | F396-M400 HydrophobicContact CD1-CG 4.3Å; F396-M400 HydrophobicContact CD1-SD 3.85Å; F396-M400 HydrophobicContact CE1-CG 4.06Å; F396-M400 HydrophobicContact CE1-SD 3.34Å; F396-M400 WeakPolarHBondContact CE1-SD 3.43Å; F396-M400 HydrophobicContact CZ-CG 4.35Å; F396-M400 HydrophobicContact CZ-SD 3.99Å; F396-M400 WeakPolarHBondContact O-CG 3.09Å; F396-M400 PolarHBondContact O-N 3.28Å; L397-M400 PolarHBondContact O-N 2.89Å; M400-M402 VanDerWaalsContact C-N 3.32Å; M400-M402 PolarHBondContact O-N 3.01Å; M400-T403 PolarHBondContact O-OG1 3.25Å |
| 401 | R | 60.7 | Low | 60.1 | Low | 214 Ų | 214 | 124.2 Ų | 124.2 | 81% | 0.808 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.5 | -25.3 | 178.2 | -162.6 | 174.9 | -176.4 | -175.2 | 1.2 | 113.2 | L397 C398 R399 | L397-R401 WeakPolarHBondContact O-CB 3.37Å; L397-R401 PolarHBondContact O-N 3.09Å; C398-R401 PolarHBondContact O-N 2.78Å; R399-R401 VanDerWaalsContact C-N 3.31Å; R399-R401 PolarHBondContact O-N 3.03Å |
| 402 | M | 57 | Low | 58.1 | Low | 164 Ų | 164 | 127 Ų | 127 | 81% | 0.808 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -86.7 | -12.3 | 179.5 | -72.8 | -69.8 | 176 | 0 | 0 | 114.1 | C398 R399 M400 T404 | C398-M402 VanDerWaalsContact O-CG 3.25Å; C398-M402 WeakPolarHBondContact O-CG 3.31Å; C398-M402 PolarHBondContact O-N 3.34Å; C398-M402 VanDerWaalsContact O-N 3.16Å; R399-M402 PolarHBondContact O-N 2.87Å; M400-M402 VanDerWaalsContact C-N 3.32Å; M400-M402 PolarHBondContact O-N 3.01Å; M402-T404 VanDerWaalsContact C-N 3.32Å |
| 403 | T | 48.5 | Very low | 55.7 | Low | 117 Ų | 117 | 129.5 Ų | 129.5 | 72% | 0.718 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -7.4 | 175.3 | 36.5 | 0 | 0 | 0 | 0 | 114.6 | R399 M400 | R399-T403 PolarHBondContact O-N 2.76Å; R399-T403 PolarHBondContact O-OG1 3.06Å; M400-T403 PolarHBondContact O-OG1 3.25Å |
| 404 | T | 47.5 | Very low | 53.2 | Low | 98 Ų | 98 | 135.5 Ų | 135.5 | 60% | 0.601 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -123.5 | 69.4 | -175.4 | 56 | 0 | 0 | 0 | 0 | 113.1 | M402 | M402-T404 VanDerWaalsContact C-N 3.32Š|
| 405 | Q | 38.1 | Very low | 50.6 | Low | 189 Ų | 189 | 139.7 Ų | 139.7 | 88% | 0.883 | 72% | 0.722 | S | S | * | * | trans | 172.7 | 119.8 | 145.9 | -98.7 | 164.9 | 29.5 | 0 | 0 | 112.6 | ||||
| 406 | K | 36.5 | Very low | 48 | Very low | 202 Ų | 202 | 143 Ų | 143 | 88% | 0.878 | 74% | 0.736 | S | S | * | * | trans | -154.9 | 122.3 | 156.4 | -79.7 | -164 | 179.9 | 179.5 | 0 | 111.3 | ||||
| 407 | T | 33.1 | Very low | 45.6 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | trans | 168.2 | 102.8 | 140.6 | 37.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 408 | L | 37.8 | Very low | 43.3 | Very low | 151 Ų | 151 | 145.5 Ų | 145.5 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | 79.6 | 136.2 | 92 | -154.1 | 62.1 | 0 | 0 | 0 | 112 | |||||
| 409 | P | 40.1 | Very low | 41.1 | Very low | 122 Ų | 122 | 151.5 Ų | 151.5 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | cis | -144.1 | 175.1 | 41.2 | 40.8 | -18.9 | 0 | 0 | 0 | 120.6 | ||||
| 410 | T | 32.5 | Very low | 40.2 | Very low | 121 Ų | 121 | 147.2 Ų | 147.2 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | -93 | 176.9 | 172.2 | 50.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 411 | P | 48.7 | Very low | 38.3 | Very low | 118 Ų | 118 | 148.5 Ų | 148.5 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | cis | -134.5 | -144.4 | 19.2 | 41.8 | -18.2 | 0 | 0 | 0 | 111.8 | ||||
| 412 | P | 42.5 | Very low | 36.6 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | cis | -138.6 | 152.5 | -10.2 | 37.6 | -17.2 | 0 | 0 | 0 | 119.6 | ||||
| 413 | V | 34.5 | Very low | 35.2 | Very low | 130 Ų | 130 | 147.9 Ų | 147.9 | 79% | 0.788 | 77% | 0.77 | S | S | * | * | trans | 41 | 117.3 | 135.4 | -170.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 414 | Q | 31 | Very low | 34.1 | Very low | 194 Ų | 194 | 149.1 Ų | 149.1 | 91% | 0.907 | 77% | 0.767 | S | S | * | * | -159.8 | 155.9 | 115.6 | -106.6 | 178.6 | 15.7 | 0 | 0 | 113.1 | |||||
| 415 | K | 29.6 | Very low | 32.9 | Very low | 188 Ų | 188 | 150.5 Ų | 150.5 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | trans | -84.5 | 173.7 | -178.3 | -57.1 | 179.4 | 177.5 | 177.9 | 0 | 110.2 | ||||
| 416 | L | 26.6 | Very low | 32.3 | Very low | 145 Ų | 145 | 145.6 Ų | 145.6 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | cis | -169.8 | 139 | 33.1 | -133 | 140.1 | 0 | 0 | 0 | 110.6 | ||||
| 417 | S | 28.9 | Very low | 31.9 | Very low | 88 Ų | 88 | 142.9 Ų | 142.9 | 62% | 0.615 | 76% | 0.756 | S | S | * | * | trans | 29.3 | 148.5 | 150.8 | 77.3 | 0 | 0 | 0 | 0 | 126 | ||||
| 418 | K | 28.6 | Very low | 31.5 | Very low | 200 Ų | 200 | 143.2 Ų | 143.2 | 87% | 0.87 | 75% | 0.753 | S | S | * | * | trans | 106.3 | 123.7 | 145.4 | -70.6 | 178.7 | 178.7 | 178.4 | 0 | 119.8 | ||||
| 419 | F | 25.1 | Very low | 31 | Very low | 200 Ų | 200 | 140.8 Ų | 140.8 | 88% | 0.877 | 75% | 0.748 | S | S | * | * | trans | -46.9 | 175.9 | 150.8 | -78.5 | -83 | 0 | 0 | 0 | 114.5 | ||||
| 420 | P | 49.2 | Very low | 30.3 | Very low | 99 Ų | 99 | 142.6 Ų | 142.6 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | cis | -139.4 | -167.2 | -20.8 | 30.3 | -7.3 | 0 | 0 | 0 | 114.7 | ||||
| 421 | L | 28 | Very low | 29.9 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | trans | 82.9 | 129.5 | 142.9 | -107.3 | 122.4 | 0 | 0 | 0 | 121.5 | ||||
| 422 | K | 25 | Very low | 28.8 | Very low | 173 Ų | 173 | 141 Ų | 141 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | 66.8 | 153.8 | 149.5 | -94.2 | 175.4 | -168 | 170 | 0 | 117.5 | ||||
| 423 | R | 26.6 | Very low | 28.1 | Very low | 193 Ų | 193 | 144.9 Ų | 144.9 | 73% | 0.728 | 76% | 0.759 | S | S | * | * | cis | -166.1 | 153.6 | -9.9 | -154.9 | -179.1 | 174.1 | -178.9 | -2.4 | 108.8 | ||||
| 424 | Q | 25.4 | Very low | 27.8 | Very low | 142 Ų | 142 | 146.5 Ų | 146.5 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | trans | 76.8 | 149.2 | 139.2 | -121.7 | 170.1 | -32.7 | 0 | 0 | 122.5 | ||||
| 425 | V | 24.3 | Very low | 27.7 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | 74.5 | 129.4 | 158.9 | -179.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 426 | S | 24.4 | Very low | 27.8 | Very low | 86 Ų | 86 | 141 Ų | 141 | 60% | 0.601 | 76% | 0.758 | S | S | * | * | cis | -174.7 | 171.4 | -9.2 | 53.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 427 | L | 27.2 | Very low | 28.1 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | 67.7 | 142.8 | 167.9 | -85.8 | 69.2 | 0 | 0 | 0 | 114.7 | ||||
| 428 | D | 26.1 | Very low | 28.4 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | cis | -138.6 | 174.1 | 15.8 | -97.1 | -47.9 | 0 | 0 | 0 | 114.5 | ||||
| 429 | S | 26.3 | Very low | 28.8 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | trans | -86.4 | 169.9 | -170.7 | -55.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 430 | N | 25.6 | Very low | 29.2 | Very low | 161 Ų | 161 | 134.6 Ų | 134.6 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | trans | 74.4 | 136.4 | 162.7 | -62.1 | -15.4 | 0 | 0 | 0 | 116.4 | ||||
| 431 | S | 25.2 | Very low | 28.3 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | cis | -158 | 174.6 | 7.1 | 50.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 432 | S | 24.1 | Very low | 28.5 | Very low | 100 Ų | 100 | 142 Ų | 142 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | 71.5 | 102.9 | 174.4 | 73.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 433 | M | 27.7 | Very low | 28.6 | Very low | 188 Ų | 188 | 137.8 Ų | 137.8 | 93% | 0.926 | 76% | 0.761 | S | S | * | * | trans | -129.6 | 102.1 | 159.8 | -81.4 | -73.9 | 100.5 | 0 | 0 | 107.7 | ||||
| 434 | N | 28.9 | Very low | 28.8 | Very low | 164 Ų | 164 | 139.3 Ų | 139.3 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | trans | -121.7 | 78.8 | -176.5 | -157.1 | 40.7 | 0 | 0 | 0 | 109.3 | ||||
| 435 | S | 29 | Very low | 28.8 | Very low | 102 Ų | 102 | 140.6 Ų | 140.6 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | 177.2 | 105.8 | 161.8 | 55.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 436 | N | 32.8 | Very low | 29 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | trans | -127.9 | 86.3 | 161.6 | -87.7 | -12.4 | 0 | 0 | 0 | 108.8 | ||||
| 437 | T | 32.8 | Very low | 29.1 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | -64.6 | 152 | 157 | 45.4 | 0 | 0 | 0 | 0 | 109.3 | L439 | T437-L439 PolarHBondContact O-N 3.3Š| ||
| 438 | P | 34.3 | Very low | 29.3 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -63 | 126.7 | 177.7 | 26.2 | -33.6 | 0 | 0 | 0 | 110.1 | V440 | P438-V440 PolarHBondContact O-N 3.29Š| ||
| 439 | L | 37.8 | Very low | 29.4 | Very low | 173 Ų | 173 | 140.5 Ų | 140.5 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | trans | -76.1 | 69.2 | 178.8 | -77.7 | 167.9 | 0 | 0 | 0 | 111.3 | T437 | T437-L439 PolarHBondContact O-N 3.3Š| ||
| 440 | V | 33.2 | Very low | 29.6 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 58% | 0.576 | 79% | 0.787 | S | S | * | * | trans | -119.8 | 97.2 | 167.8 | -175.9 | 0 | 0 | 0 | 0 | 108.3 | P438 I442 L459 | P438-V440 PolarHBondContact O-N 3.29Å; V440-I442 PolarHBondContact O-N 2.96Å; V440-L459 HydrophobicContact CG1-CD1 4.2Å | ||
| 441 | R | 30.9 | Very low | 30 | Very low | 244 Ų | 244 | 137.5 Ų | 137.5 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -85 | 107.1 | 170.2 | -91.5 | -173.2 | 178.9 | 154 | 1.6 | 109.3 | A443 | R441-A443 PolarHBondContact O-N 3.34Š| ||
| 442 | I | 31 | Very low | 30.2 | Very low | 143 Ų | 143 | 140.6 Ų | 140.6 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | -73.3 | 94.7 | 166.7 | -57 | 170.3 | 0 | 0 | 0 | 107.9 | V440 | V440-I442 PolarHBondContact O-N 2.96Š| ||
| 443 | A | 27.1 | Very low | 30.7 | Very low | 85 Ų | 85 | 144.1 Ų | 144.1 | 70% | 0.702 | 81% | 0.805 | S | S | * | * | trans | -93.4 | 108 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | R441 | R441-A443 PolarHBondContact O-N 3.34Š| ||
| 444 | R | 29.9 | Very low | 30.9 | Very low | 225 Ų | 225 | 139.1 Ų | 139.1 | 85% | 0.849 | 79% | 0.794 | S | S | * | * | trans | -84.7 | 109.8 | 166.8 | -73.4 | -172.3 | 175.6 | 103.7 | -0.7 | 109.1 | ||||
| 445 | L | 26.2 | Very low | 31 | Very low | 169 Ų | 169 | 139 Ų | 139 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | trans | -132 | 128.2 | 165.6 | -73.1 | 174.6 | 0 | 0 | 0 | 109.4 | ||||
| 446 | S | 29.2 | Very low | 31.6 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -102.6 | 123.2 | -175.9 | -49 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 447 | S | 26.9 | Very low | 32 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -172.2 | 116 | 148.8 | 54.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 448 | S | 30.6 | Very low | 32.6 | Very low | 104 Ų | 104 | 137.9 Ų | 137.9 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | 61.8 | 125 | 138 | -113.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 449 | D | 27.6 | Very low | 33.6 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | trans | 78.9 | 83.1 | 141.2 | -54.6 | -44.9 | 0 | 0 | 0 | 121.1 | ||||
| 450 | G | 30.6 | Very low | 34.7 | Very low | 54 Ų | 54 | 137 Ų | 137 | 56% | 0.557 | 76% | 0.761 | S | S | * | * | trans | -173.2 | 146.3 | 159 | 0 | 0 | 0 | 0 | 0 | 110.8 | M452 | G450-M452 PolarHBondContact O-N 2.79Š| ||
| 451 | P | 33.8 | Very low | 36.7 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 92% | 0.922 | 74% | 0.74 | S | S | * | * | trans | -71.8 | 112.8 | -175 | 28.8 | -33.4 | 0 | 0 | 0 | 111 | ||||
| 452 | M | 29.8 | Very low | 39.1 | Very low | 171 Ų | 171 | 127.4 Ų | 127.4 | 84% | 0.842 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 133.1 | -170.3 | -56.1 | -163.1 | 84.1 | 0 | 0 | 113.5 | G450 | G450-M452 PolarHBondContact O-N 2.79Š|
| 453 | L | 35.7 | Very low | 41.5 | Very low | 175 Ų | 175 | 123.6 Ų | 123.6 | 92% | 0.916 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 132.9 | 145.1 | -83.1 | 161.6 | 0 | 0 | 0 | 108 | ||
| 454 | A | 30.9 | Very low | 44.6 | Very low | 83 Ų | 83 | 121.8 Ų | 121.8 | 69% | 0.686 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 147 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 455 | N | 31.9 | Very low | 47.5 | Very low | 161 Ų | 161 | 116.5 Ų | 116.5 | 86% | 0.861 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 76.9 | 41.3 | 160.3 | -61.6 | -7.7 | 0 | 0 | 0 | 120.1 | ||
| 456 | V | 40.2 | Very low | 50.6 | Low | 89 Ų | 89 | 115.7 Ų | 115.7 | 54% | 0.539 | 68% | 0.68 | S | S | . | * | trans | -127.8 | 137.9 | 148.6 | -175.8 | 0 | 0 | 0 | 0 | 108.5 | E458 | V456-E458 PolarHBondContact O-N 2.92Š| ||
| 457 | S | 42.3 | Very low | 53.7 | Low | 76 Ų | 76 | 111.7 Ų | 111.7 | 53% | 0.531 | 65% | 0.646 | S | S | . | * | trans | -69.7 | 115.3 | 174.2 | -60.2 | 0 | 0 | 0 | 0 | 108.8 | L459 D518 | S457-L459 VanDerWaalsContact C-N 3.31Å; S457-L459 PolarHBondContact O-N 2.94Å; S457-D518 PolarHBondContact N-OD1 3.43Å; S457-D518 PolarHBondContact OG-OD2 2.81Å | ||
| 458 | E | 45.7 | Very low | 57 | Low | 193 Ų | 193 | 108.7 Ų | 108.7 | 90% | 0.902 | 62% | 0.619 | S | S | * | * | trans | -69.4 | 87 | -176 | -160.2 | 164.5 | -140.3 | 0 | 0 | 110.7 | V456 E460 | V456-E458 PolarHBondContact O-N 2.92Å; E458-E460 PolarHBondContact O-N 2.02Å | ||
| 459 | L | 53.6 | Low | 60.1 | Low | 85 Ų | 85 | 104.4 Ų | 104.4 | 45% | 0.445 | 59% | 0.587 | S | S | . | * | trans | -81.5 | 99.1 | -178.6 | -169 | 81.4 | 0 | 0 | 0 | 108.8 | V440 S457 L461 L521 | V440-L459 HydrophobicContact CG1-CD1 4.2Å; S457-L459 VanDerWaalsContact C-N 3.31Å; S457-L459 PolarHBondContact O-N 2.94Å; L459-L461 HydrophobicContact CD2-CD2 4.14Å; L459-L461 PolarHBondContact O-N 3.49Å; L459-L521 HydrophobicContact CB-CD2 4.17Å; L459-L521 HydrophobicContact CD2-CD2 4.47Å | ||
| 460 | E | 61 | Low | 63.3 | Low | 186 Ų | 186 | 99.7 Ų | 99.7 | 87% | 0.869 | 57% | 0.566 | S | S | * | * | trans | -59.6 | 101.8 | 172.4 | -72.6 | -172.6 | 164.4 | 0 | 0 | 110.4 | E458 | E458-E460 PolarHBondContact O-N 2.02Š| ||
| 461 | L | 76.3 | Confident | 66.3 | Low | 25 Ų | 25 | 99.9 Ų | 99.9 | 13% | 0.131 | 55% | 0.549 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 134.6 | 173.5 | -69.7 | 171.8 | 0 | 0 | 0 | 109.5 | L459 S463 V525 Q549 L553 | L459-L461 HydrophobicContact CD2-CD2 4.14Å; L459-L461 PolarHBondContact O-N 3.49Å; L461-S463 PolarHBondContact O-N 2.9Å; L461-V525 HydrophobicContact CD1-CG2 3.93Å; L461-V525 HydrophobicContact CD2-CG1 3.93Å; L461-V525 HydrophobicContact CD2-CG2 3.71Å; L461-V525 HydrophobicContact CG-CG2 4.46Å; L461-Q549 PolarHBondContact O-NE2 3.41Å; L461-L553 HydrophobicContact CD1-CD1 3.94Å; L461-L553 HydrophobicContact CD1-CD2 4.02Å; L461-L553 HydrophobicContact CD1-CG 4.39Å |
| 462 | P | 81.6 | Confident | 69.2 | Low | 112 Ų | 112 | 99.7 Ų | 99.7 | 73% | 0.727 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 127.4 | 178.6 | 27.2 | -33.8 | 0 | 0 | 0 | 110.4 | D464 | P462-D464 PolarHBondContact O-N 3.13Š|
| 463 | S | 81.1 | Confident | 72.3 | Confident | 64 Ų | 64 | 95.7 Ų | 95.7 | 45% | 0.448 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 130.8 | 176 | -172.6 | 0 | 0 | 0 | 0 | 111.4 | L461 P465 | L461-S463 PolarHBondContact O-N 2.9Å; S463-P465 WeakPolarHBondContact O-CD 3.48Å |
| 464 | D | 91 | Very high | 75.2 | Confident | 46 Ų | 46 | 88.3 Ų | 88.3 | 25% | 0.246 | 48% | 0.482 | C | S | . | . | trans | -118.2 | 91.4 | 175.1 | -174.9 | -18.2 | 0 | 0 | 0 | 109.9 | P462 K466 W467 E468 K532 | P462-D464 PolarHBondContact O-N 3.13Å; D464-K466 PolarHBondContact O-N 3.45Å; D464-K466 WeakPolarHBondContact OD1-CB 3.42Å; D464-K466 PolarHBondContact OD1-N 3.4Å; D464-W467 PolarHBondContact O-N 3.32Å; D464-W467 VanDerWaalsContact OD2-CD1 3.29Å; D464-E468 PolarHBondContact O-N 2.81Å; D464-K532 WeakPolarHBondContact OD2-CE 3.34Å; D464-K532 IonicContact OD2-NZ 3.98Å; D464-K532 PolarHBondContact OD2-NZ 3.5Å | ||
| 465 | P | 91.5 | Very high | 78.4 | Confident | 115 Ų | 115 | 88.8 Ų | 88.8 | 75% | 0.747 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -10.5 | -173.5 | -25.6 | 35 | 0 | 0 | 0 | 115.6 | S463 | S463-P465 WeakPolarHBondContact O-CD 3.48Š|
| 466 | K | 91.9 | Very high | 81.4 | Confident | 152 Ų | 152 | 84.5 Ų | 84.5 | 66% | 0.661 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -32.8 | 173.9 | -179.8 | -175.9 | 169.2 | -170.1 | 0 | 111.6 | D464 | D464-K466 PolarHBondContact O-N 3.45Å; D464-K466 WeakPolarHBondContact OD1-CB 3.42Å; D464-K466 PolarHBondContact OD1-N 3.4Å |
| 467 | W | 94.4 | Very high | 83.9 | Confident | 37 Ų | 37 | 82.5 Ų | 82.5 | 14% | 0.14 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | -18.7 | -173 | -66.2 | 105.3 | 0 | 0 | 0 | 113.6 | D464 F469 K532 L543 G545 A546 | D464-W467 PolarHBondContact O-N 3.32Å; D464-W467 VanDerWaalsContact OD2-CD1 3.29Å; W467-F469 PolarHBondContact O-N 2.82Å; W467-K532 HydrophobicContact CD2-CG 4.29Å; W467-K532 HydrophobicContact CG-CD 4.34Å; W467-K532 HydrophobicContact CG-CG 4.33Å; W467-K532 HydrophobicContact CZ2-CB 4.37Å; W467-K532 HydrophobicContact CZ2-CG 4.23Å; W467-L543 HydrophobicContact CD2-CD2 3.93Å; W467-L543 HydrophobicContact CE3-CD2 3.66Å; W467-L543 HydrophobicContact CE3-CG 3.85Å; W467-L543 HydrophobicContact CH2-CB 4.17Å; W467-L543 HydrophobicContact CH2-CD2 4.03Å; W467-L543 HydrophobicContact CH2-CG 4.3Å; W467-L543 HydrophobicContact CZ2-CD2 4.3Å; W467-L543 HydrophobicContact CZ3-CB 3.87Å; W467-L543 HydrophobicContact CZ3-CD2 3.72Å; W467-L543 HydrophobicContact CZ3-CG 3.69Å; W467-L543 WeakPolarHBondContact CZ3-O 3.4Å; W467-G545 CarbonylContact O-C 3.53Å; W467-G545 WeakPolarHBondContact O-CA 3.43Å; W467-A546 PolarHBondContact O-N 3.14Å |
| 468 | E | 95.3 | Very high | 86.2 | Confident | 54 Ų | 54 | 84.9 Ų | 84.9 | 25% | 0.252 | 45% | 0.452 | S | S | . | . | B | Isolated β-bridge | trans | -59.9 | 128.5 | 178.9 | -162.3 | 65.5 | -158.7 | 0 | 0 | 111.8 | D464 A546 T548 Q549 | D464-E468 PolarHBondContact O-N 2.81Å; E468-A546 CarbonylContact C-O 3.6Å; E468-A546 VanDerWaalsContact CA-O 3.3Å; E468-A546 WeakPolarHBondContact CA-O 3.25Å; E468-T548 PolarHBondContact OE1-N 2.85Å; E468-T548 WeakPolarHBondContact OE2-CB 3.46Å; E468-T548 PolarHBondContact OE2-N 2.85Å; E468-T548 PolarHBondContact OE2-OG1 2.94Å; E468-Q549 PolarHBondContact OE1-N 3.19Å; E468-Q549 VanDerWaalsContact OE1-N 3.14Å |
| 469 | F | 95.6 | Very high | 88.3 | Confident | 13 Ų | 13 | 79.8 Ų | 79.8 | 6% | 0.057 | 44% | 0.436 | C | S | . | . | trans | -116.6 | 131.3 | 179.5 | -171.5 | -98.6 | 0 | 0 | 0 | 110.5 | W467 R471 R473 L474 A493 I496 A546 C547 L556 | W467-F469 PolarHBondContact O-N 2.82Å; F469-R471 PolarHBondContact O-N 3.34Å; F469-R473 HydrophobicContact CE1-CB 4.05Å; F469-R473 HydrophobicContact CZ-CB 3.88Å; F469-L474 HydrophobicContact CD1-CB 4.3Å; F469-L474 HydrophobicContact CE1-CB 3.97Å; F469-A493 HydrophobicContact CE1-CB 4.09Å; F469-A493 HydrophobicContact CZ-CB 3.93Å; F469-I496 HydrophobicContact CD2-CB 4.16Å; F469-I496 HydrophobicContact CD2-CD1 4.25Å; F469-I496 HydrophobicContact CD2-CG1 3.99Å; F469-I496 HydrophobicContact CE2-CB 3.61Å; F469-I496 HydrophobicContact CE2-CD1 4.39Å; F469-I496 HydrophobicContact CE2-CG1 3.98Å; F469-I496 HydrophobicContact CZ-CB 4.19Å; F469-A546 PolarHBondContact N-O 3.16Å; F469-C547 PolarHBondContact O-SG 3.33Å; F469-L556 HydrophobicContact CB-CD2 4.27Å; F469-L556 HydrophobicContact CD1-CD2 3.68Å; F469-L556 HydrophobicContact CE1-CD2 4.25Å; F469-L556 HydrophobicContact CG-CD2 3.97Å | ||
| 470 | P | 94.4 | Very high | 89.8 | Confident | 61 Ų | 61 | 79.2 Ų | 79.2 | 40% | 0.396 | 43% | 0.432 | S | S | . | . | trans | -68.3 | 118.7 | -177.1 | 26.7 | -34.6 | 0 | 0 | 0 | 112 | T472 R473 | P470-T472 PolarHBondContact O-N 2.82Å; P470-T472 VanDerWaalsContact O-N 3.08Å; P470-R473 HydrophobicContact CB-CG 4.39Å; P470-R473 HydrophobicContact CG-CB 4.17Å; P470-R473 HydrophobicContact CG-CG 3.86Å; P470-R473 PolarHBondContact O-N 3.39Å | ||
| 471 | R | 94.8 | Very high | 90.6 | Very high | 58 Ų | 58 | 72.1 Ų | 72.1 | 22% | 0.219 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -50.1 | -35.9 | 178.4 | -64.1 | -179.9 | -176 | -79.3 | -4 | 113.4 | F469 R473 L474 C547 Q549 D550 G551 P552 | F469-R471 PolarHBondContact O-N 3.34Å; R471-R473 PolarHBondContact O-N 2.88Å; R471-R473 VanDerWaalsContact O-N 3.13Å; R471-L474 PolarHBondContact O-N 2.78Å; R471-L474 VanDerWaalsContact O-N 3.08Å; R471-C547 HydrophobicContact CG-CB 3.83Å; R471-C547 PolarHBondContact NH2-O 2.69Å; R471-Q549 VanDerWaalsContact CZ-O 3.23Å; R471-Q549 PolarHBondContact NE-O 3.38Å; R471-Q549 PolarHBondContact NH2-O 3.29Å; R471-D550 PolarHBondContact NE-O 3.03Å; R471-G551 PolarHBondContact NH2-O 3.36Å; R471-P552 VanDerWaalsContact CZ-O 3.25Å; R471-P552 PolarHBondContact NH1-O 2.71Å; R471-P552 PolarHBondContact NH2-O 3.4Å |
| 472 | T | 94.8 | Very high | 90.3 | Very high | 138 Ų | 138 | 77.3 Ų | 77.3 | 85% | 0.847 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -65.3 | -11.3 | 178.3 | 53.7 | 0 | 0 | 0 | 0 | 114.8 | P470 | P470-T472 PolarHBondContact O-N 2.82Å; P470-T472 VanDerWaalsContact O-N 3.08Å |
| 473 | R | 95.3 | Very high | 89.3 | Confident | 87 Ų | 87 | 73.9 Ų | 73.9 | 33% | 0.328 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -109.8 | 9.1 | 175.8 | -53.4 | -170.9 | 74.8 | -163.5 | 1.2 | 112.9 | F469 P470 R471 V494 P501 | F469-R473 HydrophobicContact CE1-CB 4.05Å; F469-R473 HydrophobicContact CZ-CB 3.88Å; P470-R473 HydrophobicContact CB-CG 4.39Å; P470-R473 HydrophobicContact CG-CB 4.17Å; P470-R473 HydrophobicContact CG-CG 3.86Å; P470-R473 PolarHBondContact O-N 3.39Å; R471-R473 PolarHBondContact O-N 2.88Å; R471-R473 VanDerWaalsContact O-N 3.13Å; R473-V494 HydrophobicContact CB-CB 4.44Å; R473-V494 PolarHBondContact NE-O 3.32Å; R473-V494 VanDerWaalsContact NE-O 3.16Å; R473-V494 PolarHBondContact NH1-O 3.42Å; R473-V494 PolarHBondContact NH2-O 2.9Å; R473-V494 PolarHBondContact O-N 2.74Å; R473-P501 PolarHBondContact NH2-O 2.88Å |
| 474 | L | 96.8 | Very high | 87.9 | Confident | 19 Ų | 19 | 76.1 Ų | 76.1 | 10% | 0.099 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 120.8 | 177.1 | -173.8 | 63.9 | 0 | 0 | 0 | 109.8 | F469 R471 L476 A491 A493 V507 V509 Y554 L556 | F469-L474 HydrophobicContact CD1-CB 4.3Å; F469-L474 HydrophobicContact CE1-CB 3.97Å; R471-L474 PolarHBondContact O-N 2.78Å; R471-L474 VanDerWaalsContact O-N 3.08Å; L474-L476 HydrophobicContact CD2-CD2 3.99Å; L474-L476 HydrophobicContact CG-CD2 4.11Å; L474-A491 HydrophobicContact CD1-CB 3.7Å; L474-A491 HydrophobicContact CG-CB 4.4Å; L474-A493 HydrophobicContact CD1-CB 3.95Å; L474-V507 HydrophobicContact CD1-CG2 4.31Å; L474-V509 HydrophobicContact CD1-CG2 4.26Å; L474-V509 HydrophobicContact CD2-CG2 4.39Å; L474-Y554 HydrophobicContact CD2-CD2 3.84Å; L474-Y554 HydrophobicContact CD2-CE2 4.46Å; L474-L556 HydrophobicContact CD1-CD2 3.83Å; L474-L556 HydrophobicContact CD1-CG 4.47Å; L474-L556 HydrophobicContact CD2-CD1 4.31Å; L474-L556 HydrophobicContact CD2-CD2 4.24Å; L474-L556 HydrophobicContact CD2-CG 4.42Å |
| 475 | T | 96.3 | Very high | 86.1 | Confident | 94 Ų | 94 | 77.8 Ų | 77.8 | 58% | 0.577 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 108.8 | 174.6 | -55.5 | 0 | 0 | 0 | 0 | 108.9 | A491 E492 | T475-A491 CarbonylContact O-C 3Å; T475-A491 WeakPolarHBondContact O-CA 3.38Å; T475-A491 VanDerWaalsContact O-CB 3.3Å; T475-A491 WeakPolarHBondContact O-CB 3.26Å; T475-E492 PolarHBondContact N-O 2.8Å; T475-E492 PolarHBondContact O-N 2.67Å |
| 476 | L | 95.3 | Very high | 85.2 | Confident | 71 Ų | 71 | 72.6 Ų | 72.6 | 37% | 0.372 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 144.7 | 176.2 | -56.3 | -178.1 | 0 | 0 | 0 | 110.9 | L474 V489 A491 V509 M511 Y554 | L474-L476 HydrophobicContact CD2-CD2 3.99Å; L474-L476 HydrophobicContact CG-CD2 4.11Å; L476-V489 HydrophobicContact CB-CG2 4.49Å; L476-V489 HydrophobicContact CD2-CG2 3.99Å; L476-A491 HydrophobicContact CD2-CB 3.93Å; L476-V509 HydrophobicContact CD2-CB 4.35Å; L476-V509 HydrophobicContact CD2-CG1 4.4Å; L476-V509 HydrophobicContact CD2-CG2 4.1Å; L476-M511 HydrophobicContact CD1-CE 3.92Å; L476-M511 HydrophobicContact CD2-CE 3.96Å; L476-Y554 HydrophobicContact CD1-CE2 4.15Å |
| 477 | G | 92.9 | Very high | 84.8 | Confident | 46 Ų | 46 | 68.1 Ų | 68.1 | 47% | 0.474 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | -145.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M490 | G477-M490 CarbonylContact C-O 3.56Å; G477-M490 VanDerWaalsContact CA-O 3.3Å; G477-M490 WeakPolarHBondContact CA-O 3.37Å; G477-M490 PolarHBondContact N-O 2.85Å |
| 478 | K | 91.6 | Very high | 84.7 | Confident | 126 Ų | 126 | 68.4 Ų | 68.4 | 55% | 0.548 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 146 | -173.7 | 66.5 | -179.5 | -179.3 | 179.8 | 0 | 113 | M490 | K478-M490 HydrophobicContact CD-SD 4.49Å; K478-M490 HydrophobicContact CG-CB 4.14Å; K478-M490 HydrophobicContact CG-SD 4.18Å; K478-M490 PolarHBondContact O-N 3.26Å |
| 479 | P | 89.6 | Confident | 84.6 | Confident | 87 Ų | 87 | 66.3 Ų | 66.3 | 57% | 0.565 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 139.4 | 167.6 | 27.7 | -34.1 | 0 | 0 | 0 | 110.7 | ||
| 480 | L | 85.4 | Confident | 84.6 | Confident | 72 Ų | 72 | 67.3 Ų | 67.3 | 38% | 0.377 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | -32.4 | 177 | -68 | 174.4 | 0 | 0 | 0 | 112 | V488 M490 A508 Y559 | L480-V488 HydrophobicContact CB-CG1 4.39Å; L480-V488 HydrophobicContact CD1-CG1 4.35Å; L480-V488 PolarHBondContact N-O 3.47Å; L480-M490 HydrophobicContact CD1-CB 4.03Å; L480-M490 HydrophobicContact CD2-CB 4.12Å; L480-M490 HydrophobicContact CD2-CE 4.3Å; L480-M490 HydrophobicContact CG-CB 4Å; L480-A508 HydrophobicContact CD1-CB 4.16Å; L480-Y559 HydrophobicContact CD1-CD2 3.82Å; L480-Y559 HydrophobicContact CD1-CE2 3.64Å; L480-Y559 HydrophobicContact CD2-CE2 3.85Å; L480-Y559 HydrophobicContact CG-CE2 4.42Å |
| 481 | G | 75.9 | Confident | 84.7 | Confident | 38 Ų | 38 | 64.5 Ų | 64.5 | 39% | 0.392 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.6 | 155 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V488 | G481-V488 PolarHBondContact N-O 3.25Å; G481-V488 PolarHBondContact O-N 2.86Å |
| 482 | E | 70.9 | Confident | 84.8 | Confident | 133 Ų | 133 | 64.8 Ų | 64.8 | 62% | 0.621 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127 | 116.3 | -179.5 | -160 | -169.2 | 138.8 | 0 | 0 | 109 | K513 | E482-K513 HydrophobicContact CG-CD 4.42Å; E482-K513 WeakPolarHBondContact OE1-CE 3.46Å; E482-K513 IonicContact OE1-NZ 3.42Å; E482-K513 PolarHBondContact OE1-NZ 3.21Å |
| 483 | G | 61.3 | Low | 84.9 | Confident | 40 Ų | 40 | 58.2 Ų | 58.2 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | trans | -96.5 | -177.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G486 K513 | G483-G486 PolarHBondContact N-O 3.06Å; G483-K513 WeakPolarHBondContact O-CE 3.49Å; G483-K513 PolarHBondContact O-NZ 2.87Å | ||
| 484 | C | 51.4 | Low | 84.9 | Confident | 111 Ų | 111 | 56.1 Ų | 56.1 | 75% | 0.75 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -73.7 | -15.3 | 168.8 | -68.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 485 | F | 52.8 | Low | 84.7 | Confident | 81 Ų | 81 | 55.9 Ų | 55.9 | 36% | 0.355 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -125.1 | 9.4 | -168.7 | -49.8 | -69.2 | 0 | 0 | 0 | 113.4 | ||
| 486 | G | 71.8 | Confident | 84.4 | Confident | 6 Ų | 6 | 52.6 Ų | 52.6 | 6% | 0.062 | 31% | 0.311 | C | S | . | . | trans | 156.9 | 179.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | G483 M511 | G483-G486 PolarHBondContact N-O 3.06Å; G486-M511 CarbonylContact C-O 3.54Å; G486-M511 WeakPolarHBondContact CA-O 3.31Å | ||
| 487 | Q | 85.1 | Confident | 84.2 | Confident | 59 Ų | 59 | 51.3 Ų | 51.3 | 28% | 0.276 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 145.2 | 175.1 | -167.8 | 179.9 | 43.5 | 0 | 0 | 110 | V489 M511 K513 | Q487-V489 HydrophobicContact CG-CG1 4.15Å; Q487-M511 HydrophobicContact CB-CG 4.36Å; Q487-M511 PolarHBondContact N-O 3.36Å; Q487-M511 PolarHBondContact O-N 3.32Å; Q487-K513 HydrophobicContact CB-CG 4.45Å |
| 488 | V | 90.9 | Very high | 83.9 | Confident | 43 Ų | 43 | 57.7 Ų | 57.7 | 26% | 0.261 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124.8 | 170.5 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | L480 G481 A508 V509 K510 | L480-V488 HydrophobicContact CB-CG1 4.39Å; L480-V488 HydrophobicContact CD1-CG1 4.35Å; L480-V488 PolarHBondContact N-O 3.47Å; G481-V488 PolarHBondContact N-O 3.25Å; G481-V488 PolarHBondContact O-N 2.86Å; V488-A508 HydrophobicContact CG1-CB 4.08Å; V488-V509 WeakPolarHBondContact CA-O 3.37Å; V488-K510 HydrophobicContact CG2-CB 4.4Å; V488-K510 HydrophobicContact CG2-CG 4.05Å |
| 489 | V | 93.6 | Very high | 83.8 | Confident | 9 Ų | 9 | 59.6 Ų | 59.6 | 6% | 0.055 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 152.2 | 176.6 | -50.9 | 0 | 0 | 0 | 0 | 111 | L476 Q487 A508 V509 M511 | L476-V489 HydrophobicContact CB-CG2 4.49Å; L476-V489 HydrophobicContact CD2-CG2 3.99Å; Q487-V489 HydrophobicContact CG-CG1 4.15Å; V489-A508 WeakPolarHBondContact O-CA 3.45Å; V489-V509 HydrophobicContact CG2-CB 4.02Å; V489-V509 PolarHBondContact N-O 2.87Å; V489-V509 PolarHBondContact O-N 3.39Å; V489-M511 HydrophobicContact CG1-SD 4.43Å; V489-M511 HydrophobicContact CG2-CE 3.5Å; V489-M511 VanDerWaalsContact CG2-CE 3.5Å; V489-M511 HydrophobicContact CG2-SD 4.41Å |
| 490 | M | 95.3 | Very high | 83.9 | Confident | 35 Ų | 35 | 60.3 Ų | 60.3 | 17% | 0.172 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 144.2 | 164.7 | 177.1 | 179.7 | -85.3 | 0 | 0 | 108.6 | G477 K478 L480 T506 Y559 | G477-M490 CarbonylContact C-O 3.56Å; G477-M490 VanDerWaalsContact CA-O 3.3Å; G477-M490 WeakPolarHBondContact CA-O 3.37Å; G477-M490 PolarHBondContact N-O 2.85Å; K478-M490 HydrophobicContact CD-SD 4.49Å; K478-M490 HydrophobicContact CG-CB 4.14Å; K478-M490 HydrophobicContact CG-SD 4.18Å; K478-M490 PolarHBondContact O-N 3.26Å; L480-M490 HydrophobicContact CD1-CB 4.03Å; L480-M490 HydrophobicContact CD2-CB 4.12Å; L480-M490 HydrophobicContact CD2-CE 4.3Å; L480-M490 HydrophobicContact CG-CB 4Å; M490-T506 HydrophobicContact CE-CG2 4.13Å; M490-T506 HydrophobicContact CG-CG2 3.92Å; M490-T506 HydrophobicContact SD-CG2 4.28Å; M490-Y559 HydrophobicContact CE-CD2 4.47Å; M490-Y559 HydrophobicContact CE-CE1 3.8Å; M490-Y559 HydrophobicContact CE-CE2 3.68Å; M490-Y559 WeakPolarHBondContact CE-OH 3.4Å |
| 491 | A | 96.6 | Very high | 83.9 | Confident | 2 Ų | 2 | 60 Ų | 60 | 2% | 0.017 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 158.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L474 T475 L476 T506 V507 V509 | L474-A491 HydrophobicContact CD1-CB 3.7Å; L474-A491 HydrophobicContact CG-CB 4.4Å; T475-A491 CarbonylContact O-C 3Å; T475-A491 WeakPolarHBondContact O-CA 3.38Å; T475-A491 VanDerWaalsContact O-CB 3.3Å; T475-A491 WeakPolarHBondContact O-CB 3.26Å; L476-A491 HydrophobicContact CD2-CB 3.93Å; A491-T506 WeakPolarHBondContact O-CA 3.32Å; A491-V507 HydrophobicContact CB-CG2 4.04Å; A491-V507 PolarHBondContact N-O 2.94Å; A491-V507 PolarHBondContact O-N 2.92Å; A491-V509 HydrophobicContact CB-CG2 3.46Å; A491-V509 VanDerWaalsContact CB-CG2 3.46Å |
| 492 | E | 97.1 | Very high | 84.5 | Confident | 63 Ų | 63 | 65 Ų | 65 | 29% | 0.294 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 120.2 | 168.7 | -70.3 | -59.2 | 144.5 | 0 | 0 | 109.7 | T475 P504 L505 T506 | T475-E492 PolarHBondContact N-O 2.8Å; T475-E492 PolarHBondContact O-N 2.67Å; E492-P504 HydrophobicContact CB-CB 4.47Å; E492-L505 VanDerWaalsContact OE2-C 3.24Å; E492-T506 WeakPolarHBondContact OE1-CA 3.32Å; E492-T506 VanDerWaalsContact OE1-CB 3.28Å; E492-T506 WeakPolarHBondContact OE1-CB 3.46Å; E492-T506 WeakPolarHBondContact OE1-CG2 3.12Å; E492-T506 PolarHBondContact OE1-OG1 2.89Å; E492-T506 PolarHBondContact OE2-N 2.98Å |
| 493 | A | 96.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 109.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | F469 L474 G495 I496 L505 V507 L556 | F469-A493 HydrophobicContact CE1-CB 4.09Å; F469-A493 HydrophobicContact CZ-CB 3.93Å; L474-A493 HydrophobicContact CD1-CB 3.95Å; A493-G495 PolarHBondContact O-N 3.32Å; A493-I496 HydrophobicContact CB-CB 3.98Å; A493-I496 HydrophobicContact CB-CD1 4.06Å; A493-I496 HydrophobicContact CB-CG2 3.81Å; A493-L505 PolarHBondContact N-O 3.04Å; A493-L505 PolarHBondContact O-N 2.84Å; A493-L505 VanDerWaalsContact O-N 3.07Å; A493-V507 HydrophobicContact CB-CG1 4.1Å; A493-V507 HydrophobicContact CB-CG2 3.86Å; A493-L556 HydrophobicContact CB-CD2 4.38Å |
| 494 | V | 95.9 | Very high | 86.9 | Confident | 44 Ų | 44 | 66.6 Ų | 66.6 | 27% | 0.267 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 120.2 | -176.7 | -164.4 | 0 | 0 | 0 | 0 | 110.2 | R473 I496 P504 | R473-V494 HydrophobicContact CB-CB 4.44Å; R473-V494 PolarHBondContact NE-O 3.32Å; R473-V494 VanDerWaalsContact NE-O 3.16Å; R473-V494 PolarHBondContact NH1-O 3.42Å; R473-V494 PolarHBondContact NH2-O 2.9Å; R473-V494 PolarHBondContact O-N 2.74Å; V494-I496 VanDerWaalsContact C-N 3.35Å; V494-I496 PolarHBondContact O-N 3.47Å; V494-P504 HydrophobicContact CG2-CB 4.37Å |
| 495 | G | 91.3 | Very high | 88.9 | Confident | 14 Ų | 14 | 64.8 Ų | 64.8 | 14% | 0.144 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 24.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | A493 D497 P501 K503 | A493-G495 PolarHBondContact O-N 3.32Å; G495-D497 VanDerWaalsContact C-N 3.33Å; G495-P501 WeakPolarHBondContact CA-O 3.21Å; G495-K503 PolarHBondContact N-O 3.22Å |
| 496 | I | 92 | Very high | 91 | Very high | 24 Ų | 24 | 63.4 Ų | 63.4 | 12% | 0.123 | 33% | 0.326 | C | S | . | . | trans | -69.6 | -33.7 | 164.7 | -162.1 | 166.4 | 0 | 0 | 0 | 111.2 | F469 A493 V494 K498 L505 V507 L544 L556 | F469-I496 HydrophobicContact CD2-CB 4.16Å; F469-I496 HydrophobicContact CD2-CD1 4.25Å; F469-I496 HydrophobicContact CD2-CG1 3.99Å; F469-I496 HydrophobicContact CE2-CB 3.61Å; F469-I496 HydrophobicContact CE2-CD1 4.39Å; F469-I496 HydrophobicContact CE2-CG1 3.98Å; F469-I496 HydrophobicContact CZ-CB 4.19Å; A493-I496 HydrophobicContact CB-CB 3.98Å; A493-I496 HydrophobicContact CB-CD1 4.06Å; A493-I496 HydrophobicContact CB-CG2 3.81Å; V494-I496 VanDerWaalsContact C-N 3.35Å; V494-I496 PolarHBondContact O-N 3.47Å; I496-K498 PolarHBondContact O-N 3.41Å; I496-L505 HydrophobicContact CG2-CB 3.84Å; I496-L505 HydrophobicContact CG2-CD2 3.71Å; I496-L505 HydrophobicContact CG2-CG 4.35Å; I496-V507 HydrophobicContact CD1-CG1 4.38Å; I496-V507 HydrophobicContact CG2-CG1 4.4Å; I496-L544 HydrophobicContact CD1-CB 3.5Å; I496-L544 HydrophobicContact CD1-CD1 4.35Å; I496-L544 HydrophobicContact CG1-CB 4.06Å; I496-L556 HydrophobicContact CD1-CB 4.19Å; I496-L556 HydrophobicContact CD1-CD2 3.67Å | ||
| 497 | D | 90.2 | Very high | 92.2 | Very high | 45 Ų | 45 | 63.1 Ų | 63.1 | 24% | 0.241 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -75.5 | 112 | 163.9 | -178.1 | -0.7 | 0 | 0 | 0 | 109.2 | G495 E499 K500 | G495-D497 VanDerWaalsContact C-N 3.33Å; D497-E499 PolarHBondContact O-N 3.06Å; D497-E499 WeakPolarHBondContact OD1-CB 3.32Å; D497-E499 PolarHBondContact OD1-N 2.81Å; D497-K500 HydrophobicContact CB-CB 4.34Å; D497-K500 CarbonylContact O-C 3.28Å; D497-K500 VanDerWaalsContact O-C 3.26Å; D497-K500 PolarHBondContact O-N 3.23Å; D497-K500 WeakPolarHBondContact OD2-CG 3.37Å; D497-K500 IonicContact OD2-NZ 3.56Å; D497-K500 PolarHBondContact OD2-NZ 3.44Å |
| 498 | K | 86.6 | Confident | 92.7 | Very high | 180 Ų | 180 | 60.7 Ų | 60.7 | 78% | 0.783 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -20.8 | 179.7 | -64.5 | -175.7 | -179.3 | 179.6 | 0 | 112.9 | I496 | I496-K498 PolarHBondContact O-N 3.41Š|
| 499 | E | 89.9 | Confident | 93 | Very high | 165 Ų | 165 | 58.7 Ų | 58.7 | 77% | 0.771 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -24.6 | 174.2 | -57.3 | -174 | 169 | 0 | 0 | 111.8 | D497 P501 | D497-E499 PolarHBondContact O-N 3.06Å; D497-E499 WeakPolarHBondContact OD1-CB 3.32Å; D497-E499 PolarHBondContact OD1-N 2.81Å; E499-P501 VanDerWaalsContact C-CD 3.47Å |
| 500 | K | 90.3 | Very high | 92.9 | Very high | 103 Ų | 103 | 59.7 Ų | 59.7 | 45% | 0.448 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -128.9 | 60.7 | -176.2 | -59.6 | -179.5 | -165.1 | 98.1 | 0 | 111.3 | D497 N502 K503 | D497-K500 HydrophobicContact CB-CB 4.34Å; D497-K500 CarbonylContact O-C 3.28Å; D497-K500 VanDerWaalsContact O-C 3.26Å; D497-K500 PolarHBondContact O-N 3.23Å; D497-K500 WeakPolarHBondContact OD2-CG 3.37Å; D497-K500 IonicContact OD2-NZ 3.56Å; D497-K500 PolarHBondContact OD2-NZ 3.44Å; K500-N502 PolarHBondContact O-N 3.03Å; K500-K503 HydrophobicContact CB-CB 4.1Å; K500-K503 PolarHBondContact O-N 2.95Å |
| 501 | P | 86.6 | Confident | 92.7 | Very high | 64 Ų | 64 | 58.8 Ų | 58.8 | 42% | 0.416 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -17.3 | -166.5 | 24.8 | -36.3 | 0 | 0 | 0 | 115.6 | R473 G495 E499 | R473-P501 PolarHBondContact NH2-O 2.88Å; G495-P501 WeakPolarHBondContact CA-O 3.21Å; E499-P501 VanDerWaalsContact C-CD 3.47Å |
| 502 | N | 87.8 | Confident | 92.3 | Very high | 143 Ų | 143 | 60.9 Ų | 60.9 | 77% | 0.765 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -6.1 | -179.7 | -64.9 | -15.6 | 0 | 0 | 0 | 113.6 | K500 | K500-N502 PolarHBondContact O-N 3.03Š|
| 503 | K | 90.4 | Very high | 91.7 | Very high | 140 Ų | 140 | 60.3 Ų | 60.3 | 61% | 0.609 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -88.9 | 133 | 177.5 | -161.9 | -177.6 | 175.2 | -178 | 0 | 109 | G495 K500 | G495-K503 PolarHBondContact N-O 3.22Å; K500-K503 HydrophobicContact CB-CB 4.1Å; K500-K503 PolarHBondContact O-N 2.95Å |
| 504 | P | 92 | Very high | 91.1 | Very high | 67 Ų | 67 | 69.1 Ų | 69.1 | 44% | 0.435 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 140.2 | 165.4 | 30.6 | -34.7 | 0 | 0 | 0 | 109.5 | E492 V494 | E492-P504 HydrophobicContact CB-CB 4.47Å; V494-P504 HydrophobicContact CG2-CB 4.37Å |
| 505 | L | 95.1 | Very high | 90.4 | Very high | 73 Ų | 73 | 73.1 Ų | 73.1 | 38% | 0.382 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 127.2 | 170.9 | -177.9 | 68 | 0 | 0 | 0 | 108.7 | E492 A493 I496 V507 L544 | E492-L505 VanDerWaalsContact OE2-C 3.24Å; A493-L505 PolarHBondContact N-O 3.04Å; A493-L505 PolarHBondContact O-N 2.84Å; A493-L505 VanDerWaalsContact O-N 3.07Å; I496-L505 HydrophobicContact CG2-CB 3.84Å; I496-L505 HydrophobicContact CG2-CD2 3.71Å; I496-L505 HydrophobicContact CG2-CG 4.35Å; L505-V507 HydrophobicContact CD2-CG1 4.22Å; L505-V507 HydrophobicContact CG-CG1 4.21Å; L505-V507 PolarHBondContact O-N 3.14Å; L505-L544 HydrophobicContact CD2-CD1 4.33Å |
| 506 | T | 96.4 | Very high | 89.9 | Confident | 52 Ų | 52 | 73.5 Ų | 73.5 | 32% | 0.319 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 121.5 | 170.4 | -44.5 | 0 | 0 | 0 | 0 | 109.6 | M490 A491 E492 Y559 | M490-T506 HydrophobicContact CE-CG2 4.13Å; M490-T506 HydrophobicContact CG-CG2 3.92Å; M490-T506 HydrophobicContact SD-CG2 4.28Å; A491-T506 WeakPolarHBondContact O-CA 3.32Å; E492-T506 WeakPolarHBondContact OE1-CA 3.32Å; E492-T506 VanDerWaalsContact OE1-CB 3.28Å; E492-T506 WeakPolarHBondContact OE1-CB 3.46Å; E492-T506 WeakPolarHBondContact OE1-CG2 3.12Å; E492-T506 PolarHBondContact OE1-OG1 2.89Å; E492-T506 PolarHBondContact OE2-N 2.98Å; T506-Y559 HydrophobicContact CG2-CD1 3.78Å; T506-Y559 HydrophobicContact CG2-CE1 4.24Å; T506-Y559 HydrophobicContact CG2-CG 4.05Å; T506-Y559 WeakPolarHBondContact O-CB 3.23Å |
| 507 | V | 96.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 163 | -179.8 | -60.2 | 0 | 0 | 0 | 0 | 110.4 | L474 A491 A493 I496 L505 V509 L544 | L474-V507 HydrophobicContact CD1-CG2 4.31Å; A491-V507 HydrophobicContact CB-CG2 4.04Å; A491-V507 PolarHBondContact N-O 2.94Å; A491-V507 PolarHBondContact O-N 2.92Å; A493-V507 HydrophobicContact CB-CG1 4.1Å; A493-V507 HydrophobicContact CB-CG2 3.86Å; I496-V507 HydrophobicContact CD1-CG1 4.38Å; I496-V507 HydrophobicContact CG2-CG1 4.4Å; L505-V507 HydrophobicContact CD2-CG1 4.22Å; L505-V507 HydrophobicContact CG-CG1 4.21Å; L505-V507 PolarHBondContact O-N 3.14Å; V507-V509 HydrophobicContact CG2-CG2 4.17Å; V507-L544 HydrophobicContact CB-CD1 4.31Å; V507-L544 HydrophobicContact CG1-CD1 3.5Å |
| 508 | A | 96.1 | Very high | 89 | Confident | 9 Ų | 9 | 77.8 Ų | 77.8 | 7% | 0.074 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 139.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | L480 V488 V489 V557 | L480-A508 HydrophobicContact CD1-CB 4.16Å; V488-A508 HydrophobicContact CG1-CB 4.08Å; V489-A508 WeakPolarHBondContact O-CA 3.45Å; A508-V557 HydrophobicContact CB-CG2 3.89Å; A508-V557 PolarHBondContact N-O 2.67Å; A508-V557 PolarHBondContact O-N 2.82Å |
| 509 | V | 95.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 116.3 | 179.5 | -171.2 | 0 | 0 | 0 | 0 | 108.7 | L474 L476 V488 V489 A491 V507 M511 Y554 V555 L556 | L474-V509 HydrophobicContact CD1-CG2 4.26Å; L474-V509 HydrophobicContact CD2-CG2 4.39Å; L476-V509 HydrophobicContact CD2-CB 4.35Å; L476-V509 HydrophobicContact CD2-CG1 4.4Å; L476-V509 HydrophobicContact CD2-CG2 4.1Å; V488-V509 WeakPolarHBondContact CA-O 3.37Å; V489-V509 HydrophobicContact CG2-CB 4.02Å; V489-V509 PolarHBondContact N-O 2.87Å; V489-V509 PolarHBondContact O-N 3.39Å; A491-V509 HydrophobicContact CB-CG2 3.46Å; A491-V509 VanDerWaalsContact CB-CG2 3.46Å; V507-V509 HydrophobicContact CG2-CG2 4.17Å; V509-M511 HydrophobicContact CB-CE 3.95Å; V509-M511 HydrophobicContact CG1-CE 3.53Å; V509-Y554 HydrophobicContact CG1-CD1 4.28Å; V509-Y554 HydrophobicContact CG1-CG 3.97Å; V509-V555 WeakPolarHBondContact CA-O 3.26Å; V509-L556 HydrophobicContact CG2-CG 4.27Å |
| 510 | K | 92.7 | Very high | 88.2 | Confident | 31 Ų | 31 | 64.6 Ų | 64.6 | 14% | 0.135 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 130 | 171.8 | -160.9 | 173.4 | -161.3 | -179.8 | 0 | 108.5 | V488 L524 E527 V555 D637 | V488-K510 HydrophobicContact CG2-CB 4.4Å; V488-K510 HydrophobicContact CG2-CG 4.05Å; K510-L524 HydrophobicContact CB-CD1 4.16Å; K510-L524 HydrophobicContact CD-CD1 3.8Å; K510-L524 HydrophobicContact CG-CD1 3.76Å; K510-E527 WeakPolarHBondContact CE-OE2 3.15Å; K510-E527 IonicContact NZ-OE1 2.7Å; K510-E527 PolarHBondContact NZ-OE1 3.42Å; K510-E527 IonicContact NZ-OE2 2.68Å; K510-E527 PolarHBondContact NZ-OE2 3.14Å; K510-V555 HydrophobicContact CB-CB 4.38Å; K510-V555 PolarHBondContact N-O 3.26Å; K510-V555 PolarHBondContact O-N 3.26Å; K510-D637 IonicContact NZ-OD1 3.77Å; K510-D637 PolarHBondContact NZ-OD1 2.63Å |
| 511 | M | 90.1 | Very high | 87.9 | Confident | 16 Ų | 16 | 60.7 Ų | 60.7 | 8% | 0.079 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 165.3 | -177 | 63.5 | -172.1 | 62.4 | 0 | 0 | 111 | L476 G486 Q487 V489 V509 Y554 | L476-M511 HydrophobicContact CD1-CE 3.92Å; L476-M511 HydrophobicContact CD2-CE 3.96Å; G486-M511 CarbonylContact C-O 3.54Å; G486-M511 WeakPolarHBondContact CA-O 3.31Å; Q487-M511 HydrophobicContact CB-CG 4.36Å; Q487-M511 PolarHBondContact N-O 3.36Å; Q487-M511 PolarHBondContact O-N 3.32Å; V489-M511 HydrophobicContact CG1-SD 4.43Å; V489-M511 HydrophobicContact CG2-CE 3.5Å; V489-M511 VanDerWaalsContact CG2-CE 3.5Å; V489-M511 HydrophobicContact CG2-SD 4.41Å; V509-M511 HydrophobicContact CB-CE 3.95Å; V509-M511 HydrophobicContact CG1-CE 3.53Å; M511-Y554 HydrophobicContact CB-CD1 3.75Å; M511-Y554 HydrophobicContact CB-CE1 4.02Å; M511-Y554 HydrophobicContact CE-CD1 3.73Å; M511-Y554 HydrophobicContact CE-CE1 3.64Å; M511-Y554 HydrophobicContact CE-CG 4.44Å; M511-Y554 HydrophobicContact SD-CD1 4.36Å; M511-Y554 HydrophobicContact SD-CE1 3.88Å |
| 512 | L | 88.6 | Confident | 87.7 | Confident | 46 Ų | 46 | 60.9 Ų | 60.9 | 24% | 0.241 | 33% | 0.33 | C | S | . | . | trans | -73.8 | 159.2 | 173.7 | -60.8 | -179.6 | 0 | 0 | 0 | 111.3 | A516 D520 L521 L524 | L512-A516 HydrophobicContact CB-CB 3.77Å; L512-A516 HydrophobicContact CD1-CB 4.35Å; L512-A516 HydrophobicContact CD2-CB 4.19Å; L512-A516 HydrophobicContact CG-CB 4.32Å; L512-D520 HydrophobicContact CD2-CB 4.03Å; L512-L521 HydrophobicContact CD1-CB 3.79Å; L512-L521 HydrophobicContact CD1-CD1 3.86Å; L512-L521 HydrophobicContact CD1-CG 4.36Å; L512-L524 HydrophobicContact CD2-CB 4.3Å; L512-L524 HydrophobicContact CD2-CD2 3.83Å; L512-L524 HydrophobicContact CG-CD2 4.02Å | ||
| 513 | K | 85.3 | Confident | 87.3 | Confident | 50 Ų | 50 | 55.1 Ų | 55.1 | 22% | 0.217 | 30% | 0.299 | C | S | . | . | trans | -88.5 | 167.3 | 169.4 | -56.7 | -172.5 | -168.8 | -173.2 | 0 | 110.8 | E482 G483 Q487 D515 A516 | E482-K513 HydrophobicContact CG-CD 4.42Å; E482-K513 WeakPolarHBondContact OE1-CE 3.46Å; E482-K513 IonicContact OE1-NZ 3.42Å; E482-K513 PolarHBondContact OE1-NZ 3.21Å; G483-K513 WeakPolarHBondContact O-CE 3.49Å; G483-K513 PolarHBondContact O-NZ 2.87Å; Q487-K513 HydrophobicContact CB-CG 4.45Å; K513-D515 WeakPolarHBondContact CB-OD1 3.2Å; K513-D515 WeakPolarHBondContact CD-OD1 3.21Å; K513-D515 PolarHBondContact O-N 3.43Å; K513-A516 WeakPolarHBondContact O-CB 3.08Å; K513-A516 PolarHBondContact O-N 2.89Å | ||
| 514 | D | 82.9 | Confident | 87.1 | Confident | 185 Ų | 185 | 48.7 Ų | 48.7 | 99% | 0.989 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -26 | 173.4 | -57.5 | -27.4 | 0 | 0 | 0 | 113.3 | ||
| 515 | D | 81.9 | Confident | 86.9 | Confident | 128 Ų | 128 | 46.8 Ų | 46.8 | 68% | 0.684 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 13.4 | 178.7 | 70.5 | -29.7 | 0 | 0 | 0 | 114.1 | K513 | K513-D515 WeakPolarHBondContact CB-OD1 3.2Å; K513-D515 WeakPolarHBondContact CD-OD1 3.21Å; K513-D515 PolarHBondContact O-N 3.43Å |
| 516 | A | 80.6 | Confident | 86.3 | Confident | 22 Ų | 22 | 44.8 Ų | 44.8 | 18% | 0.182 | 25% | 0.25 | C | S | . | . | trans | -66.6 | 145.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L512 K513 D520 | L512-A516 HydrophobicContact CB-CB 3.77Å; L512-A516 HydrophobicContact CD1-CB 4.35Å; L512-A516 HydrophobicContact CD2-CB 4.19Å; L512-A516 HydrophobicContact CG-CB 4.32Å; K513-A516 WeakPolarHBondContact O-CB 3.08Å; K513-A516 PolarHBondContact O-N 2.89Å; A516-D520 HydrophobicContact CB-CB 4.28Å | ||
| 517 | T | 82.8 | Confident | 85.8 | Confident | 74 Ų | 74 | 43 Ų | 43 | 45% | 0.454 | 24% | 0.238 | S | C | . | . | trans | -93.1 | 161.8 | 177.3 | 71.4 | 0 | 0 | 0 | 0 | 112.2 | K519 D520 L521 | T517-K519 PolarHBondContact O-N 2.87Å; T517-K519 PolarHBondContact OG1-N 2.98Å; T517-D520 WeakPolarHBondContact CB-OD2 3.28Å; T517-D520 PolarHBondContact N-OD2 2.91Å; T517-D520 PolarHBondContact O-N 3.32Å; T517-D520 PolarHBondContact OG1-N 3.06Å; T517-D520 PolarHBondContact OG1-OD2 3.3Å; T517-L521 PolarHBondContact O-N 3.4Å | ||
| 518 | D | 80.1 | Confident | 85.5 | Confident | 85 Ų | 85 | 43.1 Ų | 43.1 | 46% | 0.455 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -52.2 | -26.7 | 169.7 | -72.6 | -20.7 | 0 | 0 | 0 | 112.3 | S457 S522 | S457-D518 PolarHBondContact N-OD1 3.43Å; S457-D518 PolarHBondContact OG-OD2 2.81Å; D518-S522 PolarHBondContact O-N 2.96Å; D518-S522 VanDerWaalsContact O-N 3.12Å |
| 519 | K | 78.6 | Confident | 85.1 | Confident | 45 Ų | 45 | 46.6 Ų | 46.6 | 20% | 0.196 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.8 | -42.2 | 174.1 | -176.7 | 174.1 | -177.7 | 161.3 | 0 | 112.3 | T517 L521 S522 D523 T654 | T517-K519 PolarHBondContact O-N 2.87Å; T517-K519 PolarHBondContact OG1-N 2.98Å; K519-L521 VanDerWaalsContact C-N 3.25Å; K519-L521 PolarHBondContact O-N 2.75Å; K519-S522 CarbonylContact O-C 3.56Å; K519-S522 WeakPolarHBondContact O-CA 3.32Å; K519-S522 WeakPolarHBondContact O-CB 3.44Å; K519-S522 PolarHBondContact O-N 3.33Å; K519-D523 WeakPolarHBondContact CE-OD2 3.38Å; K519-D523 WeakPolarHBondContact O-CB 3.36Å; K519-D523 PolarHBondContact O-N 3.38Å; K519-T654 HydrophobicContact CD-CG2 3.49Å; K519-T654 VanDerWaalsContact CD-CG2 3.49Å; K519-T654 PolarHBondContact NZ-OG1 2.92Å |
| 520 | D | 81.4 | Confident | 84.5 | Confident | 23 Ų | 23 | 48 Ų | 48 | 12% | 0.123 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.4 | -36.3 | 179.7 | -55.7 | -62.5 | 0 | 0 | 0 | 110.3 | L512 A516 T517 D523 L524 | L512-D520 HydrophobicContact CD2-CB 4.03Å; A516-D520 HydrophobicContact CB-CB 4.28Å; T517-D520 WeakPolarHBondContact CB-OD2 3.28Å; T517-D520 PolarHBondContact N-OD2 2.91Å; T517-D520 PolarHBondContact O-N 3.32Å; T517-D520 PolarHBondContact OG1-N 3.06Å; T517-D520 PolarHBondContact OG1-OD2 3.3Å; D520-D523 PolarHBondContact O-N 3.44Å; D520-L524 WeakPolarHBondContact O-CB 3.32Å; D520-L524 PolarHBondContact O-N 2.92Å |
| 521 | L | 84.5 | Confident | 84.4 | Confident | 21 Ų | 21 | 46.9 Ų | 46.9 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.1 | -51.3 | 167.3 | 177.6 | 59.3 | 0 | 0 | 0 | 111.5 | L459 L512 T517 K519 D523 L524 V525 L553 | L459-L521 HydrophobicContact CB-CD2 4.17Å; L459-L521 HydrophobicContact CD2-CD2 4.47Å; L512-L521 HydrophobicContact CD1-CB 3.79Å; L512-L521 HydrophobicContact CD1-CD1 3.86Å; L512-L521 HydrophobicContact CD1-CG 4.36Å; T517-L521 PolarHBondContact O-N 3.4Å; K519-L521 VanDerWaalsContact C-N 3.25Å; K519-L521 PolarHBondContact O-N 2.75Å; L521-D523 VanDerWaalsContact C-N 3.34Å; L521-D523 PolarHBondContact O-N 3.02Å; L521-L524 PolarHBondContact O-N 2.82Å; L521-V525 HydrophobicContact CD1-CG2 4.06Å; L521-V525 WeakPolarHBondContact O-CB 3.4Å; L521-V525 WeakPolarHBondContact O-CG2 3.39Å; L521-V525 PolarHBondContact O-N 2.72Å; L521-L553 HydrophobicContact CD1-CD2 4.11Å |
| 522 | S | 82.1 | Confident | 84.4 | Confident | 69 Ų | 69 | 47.6 Ų | 47.6 | 48% | 0.483 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.6 | -39 | 178.8 | -176.3 | 0 | 0 | 0 | 0 | 113.2 | D518 K519 S526 | D518-S522 PolarHBondContact O-N 2.96Å; D518-S522 VanDerWaalsContact O-N 3.12Å; K519-S522 CarbonylContact O-C 3.56Å; K519-S522 WeakPolarHBondContact O-CA 3.32Å; K519-S522 WeakPolarHBondContact O-CB 3.44Å; K519-S522 PolarHBondContact O-N 3.33Å; S522-S526 WeakPolarHBondContact O-CB 3.43Å; S522-S526 PolarHBondContact O-N 3.46Å |
| 523 | D | 80.1 | Confident | 84.3 | Confident | 22 Ų | 22 | 52.2 Ų | 52.2 | 12% | 0.118 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70 | -43.1 | -179.8 | -76.1 | -20.4 | 0 | 0 | 0 | 109.5 | K519 D520 L521 S526 E527 | K519-D523 WeakPolarHBondContact CE-OD2 3.38Å; K519-D523 WeakPolarHBondContact O-CB 3.36Å; K519-D523 PolarHBondContact O-N 3.38Å; D520-D523 PolarHBondContact O-N 3.44Å; L521-D523 VanDerWaalsContact C-N 3.34Å; L521-D523 PolarHBondContact O-N 3.02Å; D523-S526 PolarHBondContact O-N 2.83Å; D523-S526 PolarHBondContact O-OG 3.2Å; D523-E527 PolarHBondContact O-N 2.87Å |
| 524 | L | 85.9 | Confident | 84.5 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 174.5 | -178.4 | 60.4 | 0 | 0 | 0 | 113.3 | K510 L512 D520 L521 E527 M528 L553 V555 | K510-L524 HydrophobicContact CB-CD1 4.16Å; K510-L524 HydrophobicContact CD-CD1 3.8Å; K510-L524 HydrophobicContact CG-CD1 3.76Å; L512-L524 HydrophobicContact CD2-CB 4.3Å; L512-L524 HydrophobicContact CD2-CD2 3.83Å; L512-L524 HydrophobicContact CG-CD2 4.02Å; D520-L524 WeakPolarHBondContact O-CB 3.32Å; D520-L524 PolarHBondContact O-N 2.92Å; L521-L524 PolarHBondContact O-N 2.82Å; L524-E527 PolarHBondContact O-N 2.96Å; L524-M528 PolarHBondContact O-N 2.78Å; L524-L553 HydrophobicContact CB-CD2 4.49Å; L524-L553 HydrophobicContact CD2-CD2 3.91Å; L524-L553 HydrophobicContact CD2-CG 4.18Å; L524-L553 HydrophobicContact CG-CD2 3.9Å; L524-V555 HydrophobicContact CD1-CB 4.45Å; L524-V555 HydrophobicContact CD1-CG2 3.79Å; L524-V555 HydrophobicContact CG-CG2 4.08Å |
| 525 | V | 87.3 | Confident | 84.8 | Confident | 26 Ų | 26 | 42.8 Ų | 42.8 | 16% | 0.158 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.8 | -42.8 | 173.2 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | L461 L521 E527 M528 E529 L553 | L461-V525 HydrophobicContact CD1-CG2 3.93Å; L461-V525 HydrophobicContact CD2-CG1 3.93Å; L461-V525 HydrophobicContact CD2-CG2 3.71Å; L461-V525 HydrophobicContact CG-CG2 4.46Å; L521-V525 HydrophobicContact CD1-CG2 4.06Å; L521-V525 WeakPolarHBondContact O-CB 3.4Å; L521-V525 WeakPolarHBondContact O-CG2 3.39Å; L521-V525 PolarHBondContact O-N 2.72Å; V525-E527 VanDerWaalsContact C-N 3.29Å; V525-E527 PolarHBondContact O-N 3.45Å; V525-M528 PolarHBondContact O-N 3.2Å; V525-E529 PolarHBondContact O-N 2.86Å; V525-L553 HydrophobicContact CG2-CD2 3.54Å |
| 526 | S | 82.9 | Confident | 85.4 | Confident | 31 Ų | 31 | 43.4 Ų | 43.4 | 22% | 0.217 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64 | -35.8 | 178.3 | 81.5 | 0 | 0 | 0 | 0 | 112.5 | S522 D523 M530 | S522-S526 WeakPolarHBondContact O-CB 3.43Å; S522-S526 PolarHBondContact O-N 3.46Å; D523-S526 PolarHBondContact O-N 2.83Å; D523-S526 PolarHBondContact O-OG 3.2Å; S526-M530 WeakPolarHBondContact O-CB 3.35Å; S526-M530 PolarHBondContact O-N 2.87Å |
| 527 | E | 85.7 | Confident | 86.2 | Confident | 14 Ų | 14 | 44 Ų | 44 | 7% | 0.065 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.7 | -46.3 | 175.1 | -171.9 | 176 | 179.3 | 0 | 0 | 111.7 | K510 D523 L524 V525 E529 M530 M531 F638 | K510-E527 WeakPolarHBondContact CE-OE2 3.15Å; K510-E527 IonicContact NZ-OE1 2.7Å; K510-E527 PolarHBondContact NZ-OE1 3.42Å; K510-E527 IonicContact NZ-OE2 2.68Å; K510-E527 PolarHBondContact NZ-OE2 3.14Å; D523-E527 PolarHBondContact O-N 2.87Å; L524-E527 PolarHBondContact O-N 2.96Å; V525-E527 VanDerWaalsContact C-N 3.29Å; V525-E527 PolarHBondContact O-N 3.45Å; E527-E529 PolarHBondContact O-N 2.62Å; E527-M530 WeakPolarHBondContact O-CB 3.4Å; E527-M530 PolarHBondContact O-N 2.83Å; E527-M531 HydrophobicContact CG-SD 4.45Å; E527-M531 VanDerWaalsContact O-CG 3.32Å; E527-M531 WeakPolarHBondContact O-CG 3.44Å; E527-M531 PolarHBondContact O-N 3.5Å; E527-F638 HydrophobicContact CG-CB 3.95Å; E527-F638 PolarHBondContact OE1-N 3.12Å |
| 528 | M | 89.1 | Confident | 86.8 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.02 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.4 | -51.2 | 175.5 | 179 | -177.3 | 63.9 | 0 | 0 | 111.5 | L524 V525 M530 M531 K532 A546 T548 L553 V555 | L524-M528 PolarHBondContact O-N 2.78Å; V525-M528 PolarHBondContact O-N 3.2Å; M528-M530 VanDerWaalsContact C-N 3.32Å; M528-M530 PolarHBondContact O-N 3.37Å; M528-M531 PolarHBondContact O-N 2.83Å; M528-K532 WeakPolarHBondContact O-CG 3.38Å; M528-K532 PolarHBondContact O-N 2.98Å; M528-A546 HydrophobicContact SD-CB 3.5Å; M528-A546 VanDerWaalsContact SD-CB 3.5Å; M528-T548 HydrophobicContact CE-CG2 4.18Å; M528-T548 HydrophobicContact SD-CG2 4.04Å; M528-L553 HydrophobicContact CE-CD1 4.47Å; M528-L553 HydrophobicContact SD-CD1 4.21Å; M528-V555 HydrophobicContact CB-CG1 4.29Å; M528-V555 HydrophobicContact CB-CG2 4.01Å; M528-V555 HydrophobicContact CG-CG1 4.38Å; M528-V555 HydrophobicContact CG-CG2 4.35Å; M528-V555 HydrophobicContact SD-CG2 4.35Å |
| 529 | E | 87.8 | Confident | 87.7 | Confident | 81 Ų | 81 | 42.6 Ų | 42.6 | 38% | 0.379 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.2 | -36.2 | 179.2 | -68.8 | -55.9 | 131.1 | 0 | 0 | 112.1 | V525 E527 M531 K532 M533 | V525-E529 PolarHBondContact O-N 2.86Å; E527-E529 PolarHBondContact O-N 2.62Å; E529-M531 PolarHBondContact O-N 2.87Å; E529-K532 WeakPolarHBondContact O-CB 3.37Å; E529-K532 PolarHBondContact O-N 2.92Å; E529-K532 VanDerWaalsContact OE1-CE 3.25Å; E529-K532 WeakPolarHBondContact OE1-CE 3.43Å; E529-K532 IonicContact OE1-NZ 3.56Å; E529-K532 PolarHBondContact OE1-NZ 3.49Å; E529-K532 IonicContact OE2-NZ 3.3Å; E529-M533 WeakPolarHBondContact O-CG 3.09Å; E529-M533 PolarHBondContact O-N 3.29Å; E529-M533 VanDerWaalsContact O-N 3.15Å |
| 530 | M | 84.9 | Confident | 88.6 | Confident | 29 Ų | 29 | 40.6 Ų | 40.6 | 14% | 0.143 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.9 | -45.5 | 173.2 | -170.3 | 131.5 | -64.6 | 0 | 0 | 112.1 | S526 E527 M528 K532 M533 I534 F638 A641 | S526-M530 WeakPolarHBondContact O-CB 3.35Å; S526-M530 PolarHBondContact O-N 2.87Å; E527-M530 WeakPolarHBondContact O-CB 3.4Å; E527-M530 PolarHBondContact O-N 2.83Å; M528-M530 VanDerWaalsContact C-N 3.32Å; M528-M530 PolarHBondContact O-N 3.37Å; M530-K532 VanDerWaalsContact C-N 3.3Å; M530-K532 PolarHBondContact O-N 2.91Å; M530-M533 PolarHBondContact O-N 2.78Å; M530-M533 VanDerWaalsContact O-N 3.11Å; M530-I534 HydrophobicContact CG-CD1 3.65Å; M530-I534 HydrophobicContact CG-CG1 4.27Å; M530-I534 WeakPolarHBondContact O-CG1 3.49Å; M530-I534 PolarHBondContact O-N 2.86Å; M530-F638 HydrophobicContact CG-CB 4.46Å; M530-A641 HydrophobicContact SD-CB 3.46Å; M530-A641 WeakPolarHBondContact SD-CB 3.2Å |
| 531 | M | 89.4 | Confident | 89.3 | Confident | 8 Ų | 8 | 39.8 Ų | 39.8 | 4% | 0.039 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.4 | -31.2 | 178.5 | -64.4 | 179.4 | 77.6 | 0 | 0 | 112.5 | E527 M528 E529 M533 I541 L543 V557 F638 | E527-M531 HydrophobicContact CG-SD 4.45Å; E527-M531 VanDerWaalsContact O-CG 3.32Å; E527-M531 WeakPolarHBondContact O-CG 3.44Å; E527-M531 PolarHBondContact O-N 3.5Å; M528-M531 PolarHBondContact O-N 2.83Å; E529-M531 PolarHBondContact O-N 2.87Å; M531-M533 VanDerWaalsContact C-N 3.32Å; M531-I541 HydrophobicContact CE-CG2 3.85Å; M531-I541 WeakPolarHBondContact CE-O 3.47Å; M531-L543 HydrophobicContact CB-CB 3.98Å; M531-L543 HydrophobicContact CB-CD2 4.37Å; M531-L543 HydrophobicContact CE-CB 4.23Å; M531-V557 HydrophobicContact CE-CB 4.44Å; M531-V557 HydrophobicContact CE-CG1 3.69Å; M531-V557 HydrophobicContact SD-CG1 4.11Å; M531-F638 HydrophobicContact CG-CD2 3.84Å; M531-F638 HydrophobicContact CG-CG 4.45Å; M531-F638 HydrophobicContact SD-CD2 4.33Å |
| 532 | K | 90.5 | Very high | 89.8 | Confident | 31 Ų | 31 | 39.3 Ų | 39.3 | 14% | 0.135 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.9 | -38.8 | 170.6 | -66.9 | -178 | -175.6 | 176.5 | 0 | 112.2 | D464 W467 M528 E529 M530 L543 | D464-K532 WeakPolarHBondContact OD2-CE 3.34Å; D464-K532 IonicContact OD2-NZ 3.98Å; D464-K532 PolarHBondContact OD2-NZ 3.5Å; W467-K532 HydrophobicContact CD2-CG 4.29Å; W467-K532 HydrophobicContact CG-CD 4.34Å; W467-K532 HydrophobicContact CG-CG 4.33Å; W467-K532 HydrophobicContact CZ2-CB 4.37Å; W467-K532 HydrophobicContact CZ2-CG 4.23Å; M528-K532 WeakPolarHBondContact O-CG 3.38Å; M528-K532 PolarHBondContact O-N 2.98Å; E529-K532 WeakPolarHBondContact O-CB 3.37Å; E529-K532 PolarHBondContact O-N 2.92Å; E529-K532 VanDerWaalsContact OE1-CE 3.25Å; E529-K532 WeakPolarHBondContact OE1-CE 3.43Å; E529-K532 IonicContact OE1-NZ 3.56Å; E529-K532 PolarHBondContact OE1-NZ 3.49Å; E529-K532 IonicContact OE2-NZ 3.3Å; M530-K532 VanDerWaalsContact C-N 3.3Å; M530-K532 PolarHBondContact O-N 2.91Å; K532-L543 HydrophobicContact CG-CD2 3.62Å |
| 533 | M | 87.1 | Confident | 90.4 | Very high | 144 Ų | 144 | 36.2 Ų | 36.2 | 71% | 0.709 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -77.9 | -38.5 | -177.6 | -70.7 | -63.9 | -66.7 | 0 | 0 | 113.4 | E529 M530 M531 G535 | E529-M533 WeakPolarHBondContact O-CG 3.09Å; E529-M533 PolarHBondContact O-N 3.29Å; E529-M533 VanDerWaalsContact O-N 3.15Å; M530-M533 PolarHBondContact O-N 2.78Å; M530-M533 VanDerWaalsContact O-N 3.11Å; M531-M533 VanDerWaalsContact C-N 3.32Å; M533-G535 VanDerWaalsContact C-N 3.27Å; M533-G535 PolarHBondContact O-N 3.1Å |
| 534 | I | 89.4 | Confident | 91.1 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.3 | -34.6 | 179 | -71.6 | 161 | 0 | 0 | 0 | 111.8 | M530 I540 Y609 L610 C615 F638 | M530-I534 HydrophobicContact CG-CD1 3.65Å; M530-I534 HydrophobicContact CG-CG1 4.27Å; M530-I534 WeakPolarHBondContact O-CG1 3.49Å; M530-I534 PolarHBondContact O-N 2.86Å; I534-I540 HydrophobicContact CG2-CD1 4.03Å; I534-Y609 HydrophobicContact CG2-CD1 4.46Å; I534-Y609 HydrophobicContact CG2-CE1 4Å; I534-Y609 VanDerWaalsContact O-CE1 3.27Å; I534-Y609 WeakPolarHBondContact O-CE1 3.26Å; I534-Y609 PolarHBondContact O-OH 3.29Å; I534-Y609 VanDerWaalsContact O-OH 3.13Å; I534-L610 HydrophobicContact CD1-CD2 3.74Å; I534-L610 HydrophobicContact CG1-CD2 3.91Å; I534-L610 HydrophobicContact CG2-CD2 3.74Å; I534-C615 HydrophobicContact CG1-CB 4.29Å; I534-F638 HydrophobicContact CD1-CD1 3.71Å; I534-F638 HydrophobicContact CD1-CE1 3.69Å; I534-F638 HydrophobicContact CD1-CG 4.16Å; I534-F638 HydrophobicContact CD1-CZ 4.12Å |
| 535 | G | 89.4 | Confident | 91.6 | Very high | 31 Ų | 31 | 36.9 Ų | 36.9 | 32% | 0.32 | 19% | 0.186 | S | C | . | . | trans | 82.1 | -155.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | M533 | M533-G535 VanDerWaalsContact C-N 3.27Å; M533-G535 PolarHBondContact O-N 3.1Å | ||
| 536 | K | 93.6 | Very high | 92 | Very high | 141 Ų | 141 | 35.7 Ų | 35.7 | 61% | 0.613 | 18% | 0.178 | S | C | * | . | trans | -113.2 | 130.9 | -172.9 | -69 | -166.2 | 176 | -166.1 | 0 | 112.6 | N542 Y609 | K536-N542 VanDerWaalsContact CA-OD1 3.26Å; K536-N542 WeakPolarHBondContact CA-OD1 3.41Å; K536-N542 HydrophobicContact CG-CB 4.47Å; K536-Y609 PolarHBondContact O-OH 2.96Å | ||
| 537 | H | 97.3 | Very high | 92.6 | Very high | 34 Ų | 34 | 34.2 Ų | 34.2 | 16% | 0.157 | 17% | 0.168 | C | C | . | . | trans | -141 | 155.7 | 173 | -172.2 | -114.5 | 0 | 0 | 0 | 111.7 | N539 I540 N542 R605 Y609 | H537-N539 VanDerWaalsContact C-N 3.34Å; H537-N539 PolarHBondContact ND1-N 3.08Å; H537-N539 PolarHBondContact O-N 2.86Å; H537-I540 HydrophobicContact CB-CB 4.19Å; H537-I540 HydrophobicContact CB-CD1 3.87Å; H537-I540 HydrophobicContact CB-CG1 4.1Å; H537-N542 PolarHBondContact N-OD1 2.79Å; H537-N542 PolarHBondContact O-ND2 3.33Å; H537-N542 PolarHBondContact O-OD1 3Å; H537-R605 PolarHBondContact CE1-O 2.63Å; H537-Y609 HydrophobicContact CB-CD1 3.68Å; H537-Y609 HydrophobicContact CB-CD2 4.31Å; H537-Y609 HydrophobicContact CB-CE1 3.83Å; H537-Y609 HydrophobicContact CB-CE2 4.46Å; H537-Y609 HydrophobicContact CB-CG 3.9Å; H537-Y609 AromaticContact CD2-CD2 3.88Å; H537-Y609 AromaticContact CD2-CG 3.9Å; H537-Y609 AromaticContact CG-CG 3.78Å | ||
| 538 | K | 96.7 | Very high | 93 | Very high | 129 Ų | 129 | 34.4 Ų | 34.4 | 56% | 0.561 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -44.9 | 179.3 | -175.2 | 175.8 | -179.6 | -178.2 | 0 | 110.9 | I540 V632 K634 | K538-I540 PolarHBondContact O-N 3.19Å; K538-V632 HydrophobicContact CG-CG1 3.98Å; K538-K634 PolarHBondContact O-NZ 2.86Å |
| 539 | N | 98.3 | Very high | 93 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.011 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 24.7 | -172.8 | -58.7 | 103.4 | 0 | 0 | 0 | 114.7 | H537 Q602 M633 I635 | H537-N539 VanDerWaalsContact C-N 3.34Å; H537-N539 PolarHBondContact ND1-N 3.08Å; H537-N539 PolarHBondContact O-N 2.86Å; N539-Q602 WeakPolarHBondContact CB-O 3.43Å; N539-Q602 WeakPolarHBondContact ND2-CB 3.41Å; N539-Q602 PolarHBondContact ND2-OE1 3.4Å; N539-M633 WeakPolarHBondContact CA-O 3.42Å; N539-M633 WeakPolarHBondContact CB-O 3.28Å; N539-M633 PolarHBondContact ND2-O 3.01Å; N539-I635 PolarHBondContact O-N 2.94Å |
| 540 | I | 96.8 | Very high | 93 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -126.2 | 147.6 | 172 | -65.6 | 175.1 | 0 | 0 | 0 | 107.5 | I534 H537 K538 N542 Y609 L610 K634 F638 | I534-I540 HydrophobicContact CG2-CD1 4.03Å; H537-I540 HydrophobicContact CB-CB 4.19Å; H537-I540 HydrophobicContact CB-CD1 3.87Å; H537-I540 HydrophobicContact CB-CG1 4.1Å; K538-I540 PolarHBondContact O-N 3.19Å; I540-N542 PolarHBondContact O-N 3.39Å; I540-N542 PolarHBondContact O-ND2 2.8Å; I540-Y609 HydrophobicContact CD1-CD1 3.52Å; I540-Y609 HydrophobicContact CD1-CE1 4.15Å; I540-Y609 HydrophobicContact CD1-CG 4.45Å; I540-L610 HydrophobicContact CD1-CD1 4.33Å; I540-L610 HydrophobicContact CD1-CD2 3.84Å; I540-L610 HydrophobicContact CD1-CG 3.71Å; I540-K634 PolarHBondContact O-NZ 3.15Å; I540-F638 HydrophobicContact CG2-CE2 3.85Å; I540-F638 HydrophobicContact CG2-CZ 3.68Å |
| 541 | I | 95.6 | Very high | 93.1 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 4% | 0.036 | 22% | 0.221 | C | C | . | . | trans | -72.1 | 112.5 | 170.1 | -153.5 | 71.5 | 0 | 0 | 0 | 107.9 | M531 V557 E558 L626 K634 I635 A636 F638 | M531-I541 HydrophobicContact CE-CG2 3.85Å; M531-I541 WeakPolarHBondContact CE-O 3.47Å; I541-V557 HydrophobicContact CG1-CB 4.42Å; I541-V557 HydrophobicContact CG1-CG2 4.36Å; I541-E558 HydrophobicContact CD1-CB 3.84Å; I541-E558 WeakPolarHBondContact CD1-O 3.1Å; I541-E558 HydrophobicContact CG1-CB 4.28Å; I541-L626 HydrophobicContact CD1-CD1 3.91Å; I541-L626 HydrophobicContact CG1-CD1 4.21Å; I541-K634 HydrophobicContact CB-CB 4.49Å; I541-K634 HydrophobicContact CD1-CB 4.18Å; I541-K634 HydrophobicContact CD1-CD 3.8Å; I541-I635 PolarHBondContact N-O 3.35Å; I541-A636 HydrophobicContact CB-CB 4.1Å; I541-A636 HydrophobicContact CG2-CB 3.68Å; I541-F638 HydrophobicContact CG2-CE2 4.26Å | ||
| 542 | N | 94.9 | Very high | 93.2 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 5% | 0.053 | 24% | 0.244 | C | C | . | . | trans | -85.1 | 140.8 | -173.1 | -59.7 | -65.5 | 0 | 0 | 0 | 111 | K536 H537 I540 V557 E558 | K536-N542 VanDerWaalsContact CA-OD1 3.26Å; K536-N542 WeakPolarHBondContact CA-OD1 3.41Å; K536-N542 HydrophobicContact CG-CB 4.47Å; H537-N542 PolarHBondContact N-OD1 2.79Å; H537-N542 PolarHBondContact O-ND2 3.33Å; H537-N542 PolarHBondContact O-OD1 3Å; I540-N542 PolarHBondContact O-N 3.39Å; I540-N542 PolarHBondContact O-ND2 2.8Å; N542-V557 WeakPolarHBondContact O-CA 3.3Å; N542-E558 HydrophobicContact CB-CG 4.14Å; N542-E558 PolarHBondContact N-OE2 3.5Å; N542-E558 VanDerWaalsContact ND2-CD 3.28Å; N542-E558 PolarHBondContact ND2-OE1 3.29Å; N542-E558 PolarHBondContact ND2-OE2 3.35Å; N542-E558 VanDerWaalsContact ND2-OE2 3.14Å; N542-E558 PolarHBondContact O-N 3.11Å | ||
| 543 | L | 95.3 | Very high | 93.2 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 134.8 | 166 | -173.8 | 67.5 | 0 | 0 | 0 | 109 | W467 M531 K532 G545 V555 V557 | W467-L543 HydrophobicContact CD2-CD2 3.93Å; W467-L543 HydrophobicContact CE3-CD2 3.66Å; W467-L543 HydrophobicContact CE3-CG 3.85Å; W467-L543 HydrophobicContact CH2-CB 4.17Å; W467-L543 HydrophobicContact CH2-CD2 4.03Å; W467-L543 HydrophobicContact CH2-CG 4.3Å; W467-L543 HydrophobicContact CZ2-CD2 4.3Å; W467-L543 HydrophobicContact CZ3-CB 3.87Å; W467-L543 HydrophobicContact CZ3-CD2 3.72Å; W467-L543 HydrophobicContact CZ3-CG 3.69Å; W467-L543 WeakPolarHBondContact CZ3-O 3.4Å; M531-L543 HydrophobicContact CB-CB 3.98Å; M531-L543 HydrophobicContact CB-CD2 4.37Å; M531-L543 HydrophobicContact CE-CB 4.23Å; K532-L543 HydrophobicContact CG-CD2 3.62Å; L543-G545 WeakPolarHBondContact CD1-O 3.41Å; L543-V555 HydrophobicContact CD1-CG1 3.57Å; L543-V557 HydrophobicContact CD1-CG1 4.32Å |
| 544 | L | 95.5 | Very high | 93.6 | Very high | 41 Ų | 41 | 39.5 Ų | 39.5 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -35.7 | 176.8 | -58.7 | -179.4 | 0 | 0 | 0 | 111.6 | I496 L505 V507 L556 E558 | I496-L544 HydrophobicContact CD1-CB 3.5Å; I496-L544 HydrophobicContact CD1-CD1 4.35Å; I496-L544 HydrophobicContact CG1-CB 4.06Å; L505-L544 HydrophobicContact CD2-CD1 4.33Å; V507-L544 HydrophobicContact CB-CD1 4.31Å; V507-L544 HydrophobicContact CG1-CD1 3.5Å; L544-L556 WeakPolarHBondContact CB-O 3.43Å; L544-L556 PolarHBondContact N-O 3.25Å; L544-E558 HydrophobicContact CD1-CG 4.34Å; L544-E558 HydrophobicContact CD2-CG 3.98Å; L544-E558 HydrophobicContact CG-CG 4.27Å |
| 545 | G | 95.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.9 | -175.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | W467 L543 L556 | W467-G545 CarbonylContact O-C 3.53Å; W467-G545 WeakPolarHBondContact O-CA 3.43Å; L543-G545 WeakPolarHBondContact CD1-O 3.41Å; G545-L556 PolarHBondContact N-O 3.15Å; G545-L556 WeakPolarHBondContact O-CA 3.39Å; G545-L556 WeakPolarHBondContact O-CB 3.28Å; G545-L556 PolarHBondContact O-N 2.97Å |
| 546 | A | 96.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 152.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | W467 E468 F469 M528 T548 Y554 | W467-A546 PolarHBondContact O-N 3.14Å; E468-A546 CarbonylContact C-O 3.6Å; E468-A546 VanDerWaalsContact CA-O 3.3Å; E468-A546 WeakPolarHBondContact CA-O 3.25Å; F469-A546 PolarHBondContact N-O 3.16Å; M528-A546 HydrophobicContact SD-CB 3.5Å; M528-A546 VanDerWaalsContact SD-CB 3.5Å; A546-T548 HydrophobicContact CB-CG2 3.84Å; A546-Y554 CarbonylContact C-O 3.57Å; A546-Y554 WeakPolarHBondContact CA-O 3.46Å; A546-Y554 WeakPolarHBondContact CB-O 3.33Å |
| 547 | C | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 104.6 | 162.2 | -51.1 | 0 | 0 | 0 | 0 | 106.9 | F469 R471 Y554 | F469-C547 PolarHBondContact O-SG 3.33Å; R471-C547 HydrophobicContact CG-CB 3.83Å; R471-C547 PolarHBondContact NH2-O 2.69Å; C547-Y554 HydrophobicContact CB-CD2 4.19Å; C547-Y554 HydrophobicContact CB-CG 4.47Å; C547-Y554 PolarHBondContact N-O 3.19Å; C547-Y554 PolarHBondContact O-N 3.45Å |
| 548 | T | 93.8 | Very high | 94.2 | Very high | 17 Ų | 17 | 32.8 Ų | 32.8 | 10% | 0.104 | 18% | 0.18 | C | C | . | . | trans | -107.1 | -25.6 | -176 | 70.7 | 0 | 0 | 0 | 0 | 112.6 | E468 M528 A546 L553 | E468-T548 PolarHBondContact OE1-N 2.85Å; E468-T548 WeakPolarHBondContact OE2-CB 3.46Å; E468-T548 PolarHBondContact OE2-N 2.85Å; E468-T548 PolarHBondContact OE2-OG1 2.94Å; M528-T548 HydrophobicContact CE-CG2 4.18Å; M528-T548 HydrophobicContact SD-CG2 4.04Å; A546-T548 HydrophobicContact CB-CG2 3.84Å; T548-L553 HydrophobicContact CG2-CD1 3.99Å | ||
| 549 | Q | 90.3 | Very high | 94.1 | Very high | 59 Ų | 59 | 29.7 Ų | 29.7 | 28% | 0.276 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -97.9 | 158 | -177.4 | -51.6 | -57.5 | -77.4 | 0 | 0 | 111.8 | L461 E468 R471 G551 | L461-Q549 PolarHBondContact O-NE2 3.41Å; E468-Q549 PolarHBondContact OE1-N 3.19Å; E468-Q549 VanDerWaalsContact OE1-N 3.14Å; R471-Q549 VanDerWaalsContact CZ-O 3.23Å; R471-Q549 PolarHBondContact NE-O 3.38Å; R471-Q549 PolarHBondContact NH2-O 3.29Å; Q549-G551 PolarHBondContact O-N 3.17Å |
| 550 | D | 86.6 | Confident | 94 | Very high | 163 Ų | 163 | 30.2 Ų | 30.2 | 87% | 0.872 | 17% | 0.169 | S | C | * | . | S | Bend | trans | 49.3 | 46.3 | 168.1 | -52.6 | -44.5 | 0 | 0 | 0 | 114.9 | R471 | R471-D550 PolarHBondContact NE-O 3.03Š|
| 551 | G | 87.8 | Confident | 93.9 | Very high | 46 Ų | 46 | 32 Ų | 32 | 47% | 0.474 | 18% | 0.182 | S | C | . | . | S | Bend | trans | 147.9 | -171 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R471 Q549 | R471-G551 PolarHBondContact NH2-O 3.36Å; Q549-G551 PolarHBondContact O-N 3.17Å |
| 552 | P | 90.8 | Very high | 93.8 | Very high | 80 Ų | 80 | 33.9 Ų | 33.9 | 52% | 0.519 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -63.3 | 146.9 | -177.2 | 26.5 | -36 | 0 | 0 | 0 | 112.7 | R471 Y554 | R471-P552 VanDerWaalsContact CZ-O 3.25Å; R471-P552 PolarHBondContact NH1-O 2.71Å; R471-P552 PolarHBondContact NH2-O 3.4Å; P552-Y554 HydrophobicContact CB-CE1 4.07Å; P552-Y554 HydrophobicContact CG-CE1 3.71Å; P552-Y554 HydrophobicContact CG-CE2 4.48Å; P552-Y554 PolarHBondContact O-N 3.05Å |
| 553 | L | 92.1 | Very high | 93.6 | Very high | 12 Ų | 12 | 35 Ų | 35 | 6% | 0.063 | 20% | 0.203 | C | C | . | . | trans | -65.9 | 118.5 | 178.4 | 176.9 | 60.4 | 0 | 0 | 0 | 111.1 | L461 L521 L524 V525 M528 T548 V555 | L461-L553 HydrophobicContact CD1-CD1 3.94Å; L461-L553 HydrophobicContact CD1-CD2 4.02Å; L461-L553 HydrophobicContact CD1-CG 4.39Å; L521-L553 HydrophobicContact CD1-CD2 4.11Å; L524-L553 HydrophobicContact CB-CD2 4.49Å; L524-L553 HydrophobicContact CD2-CD2 3.91Å; L524-L553 HydrophobicContact CD2-CG 4.18Å; L524-L553 HydrophobicContact CG-CD2 3.9Å; V525-L553 HydrophobicContact CG2-CD2 3.54Å; M528-L553 HydrophobicContact CE-CD1 4.47Å; M528-L553 HydrophobicContact SD-CD1 4.21Å; T548-L553 HydrophobicContact CG2-CD1 3.99Å; L553-V555 HydrophobicContact CD1-CG2 4.39Å; L553-V555 HydrophobicContact CG-CG2 4.31Å | ||
| 554 | Y | 95 | Very high | 93.5 | Very high | 45 Ų | 45 | 37 Ų | 37 | 18% | 0.176 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 124 | 172.4 | -64.4 | -21.8 | 0 | 0 | 0 | 109.9 | L474 L476 V509 M511 A546 C547 P552 | L474-Y554 HydrophobicContact CD2-CD2 3.84Å; L474-Y554 HydrophobicContact CD2-CE2 4.46Å; L476-Y554 HydrophobicContact CD1-CE2 4.15Å; V509-Y554 HydrophobicContact CG1-CD1 4.28Å; V509-Y554 HydrophobicContact CG1-CG 3.97Å; M511-Y554 HydrophobicContact CB-CD1 3.75Å; M511-Y554 HydrophobicContact CB-CE1 4.02Å; M511-Y554 HydrophobicContact CE-CD1 3.73Å; M511-Y554 HydrophobicContact CE-CE1 3.64Å; M511-Y554 HydrophobicContact CE-CG 4.44Å; M511-Y554 HydrophobicContact SD-CD1 4.36Å; M511-Y554 HydrophobicContact SD-CE1 3.88Å; A546-Y554 CarbonylContact C-O 3.57Å; A546-Y554 WeakPolarHBondContact CA-O 3.46Å; A546-Y554 WeakPolarHBondContact CB-O 3.33Å; C547-Y554 HydrophobicContact CB-CD2 4.19Å; C547-Y554 HydrophobicContact CB-CG 4.47Å; C547-Y554 PolarHBondContact N-O 3.19Å; C547-Y554 PolarHBondContact O-N 3.45Å; P552-Y554 HydrophobicContact CB-CE1 4.07Å; P552-Y554 HydrophobicContact CG-CE1 3.71Å; P552-Y554 HydrophobicContact CG-CE2 4.48Å; P552-Y554 PolarHBondContact O-N 3.05Å |
| 555 | V | 94.7 | Very high | 93.6 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 113.3 | 174.7 | -174.4 | 0 | 0 | 0 | 0 | 108.3 | V509 K510 L524 M528 L543 L553 V557 | V509-V555 WeakPolarHBondContact CA-O 3.26Å; K510-V555 HydrophobicContact CB-CB 4.38Å; K510-V555 PolarHBondContact N-O 3.26Å; K510-V555 PolarHBondContact O-N 3.26Å; L524-V555 HydrophobicContact CD1-CB 4.45Å; L524-V555 HydrophobicContact CD1-CG2 3.79Å; L524-V555 HydrophobicContact CG-CG2 4.08Å; M528-V555 HydrophobicContact CB-CG1 4.29Å; M528-V555 HydrophobicContact CB-CG2 4.01Å; M528-V555 HydrophobicContact CG-CG1 4.38Å; M528-V555 HydrophobicContact CG-CG2 4.35Å; M528-V555 HydrophobicContact SD-CG2 4.35Å; L543-V555 HydrophobicContact CD1-CG1 3.57Å; L553-V555 HydrophobicContact CD1-CG2 4.39Å; L553-V555 HydrophobicContact CG-CG2 4.31Å; V555-V557 HydrophobicContact CG1-CG1 4.2Å |
| 556 | L | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 117.6 | -174 | -67.6 | 72 | 0 | 0 | 0 | 109.5 | F469 L474 A493 I496 V509 L544 G545 | F469-L556 HydrophobicContact CB-CD2 4.27Å; F469-L556 HydrophobicContact CD1-CD2 3.68Å; F469-L556 HydrophobicContact CE1-CD2 4.25Å; F469-L556 HydrophobicContact CG-CD2 3.97Å; L474-L556 HydrophobicContact CD1-CD2 3.83Å; L474-L556 HydrophobicContact CD1-CG 4.47Å; L474-L556 HydrophobicContact CD2-CD1 4.31Å; L474-L556 HydrophobicContact CD2-CD2 4.24Å; L474-L556 HydrophobicContact CD2-CG 4.42Å; A493-L556 HydrophobicContact CB-CD2 4.38Å; I496-L556 HydrophobicContact CD1-CB 4.19Å; I496-L556 HydrophobicContact CD1-CD2 3.67Å; V509-L556 HydrophobicContact CG2-CG 4.27Å; L544-L556 WeakPolarHBondContact CB-O 3.43Å; L544-L556 PolarHBondContact N-O 3.25Å; G545-L556 PolarHBondContact N-O 3.15Å; G545-L556 WeakPolarHBondContact O-CA 3.39Å; G545-L556 WeakPolarHBondContact O-CB 3.28Å; G545-L556 PolarHBondContact O-N 2.97Å |
| 557 | V | 95.7 | Very high | 93.3 | Very high | 21 Ų | 21 | 41.8 Ų | 41.8 | 13% | 0.127 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 164.5 | -178 | -54 | 0 | 0 | 0 | 0 | 111 | A508 M531 I541 N542 L543 V555 | A508-V557 HydrophobicContact CB-CG2 3.89Å; A508-V557 PolarHBondContact N-O 2.67Å; A508-V557 PolarHBondContact O-N 2.82Å; M531-V557 HydrophobicContact CE-CB 4.44Å; M531-V557 HydrophobicContact CE-CG1 3.69Å; M531-V557 HydrophobicContact SD-CG1 4.11Å; I541-V557 HydrophobicContact CG1-CB 4.42Å; I541-V557 HydrophobicContact CG1-CG2 4.36Å; N542-V557 WeakPolarHBondContact O-CA 3.3Å; L543-V557 HydrophobicContact CD1-CG1 4.32Å; V555-V557 HydrophobicContact CG1-CG1 4.2Å |
| 558 | E | 95.4 | Very high | 93.2 | Very high | 46 Ų | 46 | 42.2 Ų | 42.2 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.8 | 139.8 | 173.8 | -70.5 | 171.4 | 152.2 | 0 | 0 | 112.2 | I541 N542 L544 K634 | I541-E558 HydrophobicContact CD1-CB 3.84Å; I541-E558 WeakPolarHBondContact CD1-O 3.1Å; I541-E558 HydrophobicContact CG1-CB 4.28Å; N542-E558 HydrophobicContact CB-CG 4.14Å; N542-E558 PolarHBondContact N-OE2 3.5Å; N542-E558 VanDerWaalsContact ND2-CD 3.28Å; N542-E558 PolarHBondContact ND2-OE1 3.29Å; N542-E558 PolarHBondContact ND2-OE2 3.35Å; N542-E558 VanDerWaalsContact ND2-OE2 3.14Å; N542-E558 PolarHBondContact O-N 3.11Å; L544-E558 HydrophobicContact CD1-CG 4.34Å; L544-E558 HydrophobicContact CD2-CG 3.98Å; L544-E558 HydrophobicContact CG-CG 4.27Å; E558-K634 IonicContact OE1-NZ 2.75Å; E558-K634 PolarHBondContact OE1-NZ 3.41Å; E558-K634 WeakPolarHBondContact OE2-CE 3.4Å; E558-K634 IonicContact OE2-NZ 3.26Å; E558-K634 PolarHBondContact OE2-NZ 2.87Å |
| 559 | Y | 95.6 | Very high | 93.2 | Very high | 64 Ų | 64 | 41.4 Ų | 41.4 | 25% | 0.251 | 23% | 0.229 | S | C | . | . | trans | -84.7 | 137.2 | 172.2 | 178 | -116.9 | 0 | 0 | 0 | 111.1 | L480 M490 T506 | L480-Y559 HydrophobicContact CD1-CD2 3.82Å; L480-Y559 HydrophobicContact CD1-CE2 3.64Å; L480-Y559 HydrophobicContact CD2-CE2 3.85Å; L480-Y559 HydrophobicContact CG-CE2 4.42Å; M490-Y559 HydrophobicContact CE-CD2 4.47Å; M490-Y559 HydrophobicContact CE-CE1 3.8Å; M490-Y559 HydrophobicContact CE-CE2 3.68Å; M490-Y559 WeakPolarHBondContact CE-OH 3.4Å; T506-Y559 HydrophobicContact CG2-CD1 3.78Å; T506-Y559 HydrophobicContact CG2-CE1 4.24Å; T506-Y559 HydrophobicContact CG2-CG 4.05Å; T506-Y559 WeakPolarHBondContact O-CB 3.23Å | ||
| 560 | A | 95.3 | Very high | 93.2 | Very high | 12 Ų | 12 | 42 Ų | 42 | 10% | 0.099 | 23% | 0.229 | C | C | . | . | trans | -121.1 | 101.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | K562 G563 L626 V627 T628 | A560-K562 PolarHBondContact O-N 2.97Å; A560-G563 PolarHBondContact O-N 3.03Å; A560-L626 HydrophobicContact CB-CB 3.65Å; A560-L626 HydrophobicContact CB-CD1 4.22Å; A560-L626 HydrophobicContact CB-CG 4.46Å; A560-V627 CarbonylContact C-O 3.53Å; A560-T628 HydrophobicContact CB-CG2 4.44Å | ||
| 561 | S | 93.8 | Very high | 93.3 | Very high | 40 Ų | 40 | 37.1 Ų | 37.1 | 28% | 0.28 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -28.7 | -166.4 | 51.4 | 0 | 0 | 0 | 0 | 115.3 | G563 E629 | S561-G563 VanDerWaalsContact C-N 3.32Å; S561-E629 WeakPolarHBondContact CB-OE2 3.42Å; S561-E629 WeakPolarHBondContact OG-CA 3.36Å; S561-E629 WeakPolarHBondContact OG-CB 3.43Å; S561-E629 PolarHBondContact OG-N 3.3Å; S561-E629 VanDerWaalsContact OG-N 3.11Å; S561-E629 PolarHBondContact OG-OE2 3.46Å |
| 562 | K | 93.4 | Very high | 93.3 | Very high | 47 Ų | 47 | 36.9 Ų | 36.9 | 20% | 0.204 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 9.8 | -177.8 | -56.2 | -170.1 | -177.5 | 174.8 | 0 | 113.2 | A560 Y568 V627 E629 N631 | A560-K562 PolarHBondContact O-N 2.97Å; K562-Y568 HydrophobicContact CB-CD2 3.95Å; K562-Y568 HydrophobicContact CB-CE2 4.32Å; K562-Y568 HydrophobicContact CD-CD2 4.34Å; K562-Y568 HydrophobicContact CD-CE2 3.85Å; K562-V627 HydrophobicContact CB-CB 4.03Å; K562-V627 HydrophobicContact CB-CG1 4.05Å; K562-V627 HydrophobicContact CD-CG1 4.45Å; K562-V627 PolarHBondContact N-O 2.93Å; K562-E629 WeakPolarHBondContact CE-O 3.32Å; K562-E629 WeakPolarHBondContact CE-OE1 3.43Å; K562-E629 PolarHBondContact NZ-O 2.93Å; K562-N631 PolarHBondContact NZ-OD1 3.19Å |
| 563 | G | 91.8 | Very high | 93.1 | Very high | 32 Ų | 32 | 33.9 Ų | 33.9 | 33% | 0.33 | 17% | 0.174 | S | C | . | . | trans | 74.9 | -149.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A560 S561 L626 V627 | A560-G563 PolarHBondContact O-N 3.03Å; S561-G563 VanDerWaalsContact C-N 3.32Å; G563-L626 CarbonylContact O-C 3.59Å; G563-L626 WeakPolarHBondContact O-CA 3.49Å; G563-V627 PolarHBondContact O-N 2.98Å | ||
| 564 | N | 94.1 | Very high | 92.3 | Very high | 48 Ų | 48 | 35 Ų | 35 | 26% | 0.257 | 18% | 0.182 | S | C | . | . | B | Isolated β-bridge | trans | -86.2 | 149.9 | 178.8 | 72.7 | 80.1 | 0 | 0 | 0 | 112.3 | R566 E567 Y568 R623 V625 L626 | N564-R566 VanDerWaalsContact C-N 3.29Å; N564-R566 PolarHBondContact O-N 3.28Å; N564-R566 WeakPolarHBondContact OD1-CB 3.22Å; N564-R566 PolarHBondContact OD1-N 2.95Å; N564-E567 PolarHBondContact O-N 3.01Å; N564-E567 PolarHBondContact OD1-N 2.81Å; N564-Y568 WeakPolarHBondContact O-CB 3.34Å; N564-Y568 PolarHBondContact O-N 3.45Å; N564-R623 WeakPolarHBondContact CB-O 2.96Å; N564-V625 CarbonylContact C-O 3.59Å; N564-V625 VanDerWaalsContact CA-O 3.29Å; N564-V625 WeakPolarHBondContact CA-O 3.47Å; N564-L626 HydrophobicContact CB-CD2 4.19Å |
| 565 | L | 95.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.2 | -36.2 | -174.8 | 177.9 | 59.6 | 0 | 0 | 0 | 112.3 | E567 Y568 L569 A622 V625 V627 M633 L685 I689 | L565-E567 PolarHBondContact O-N 2.94Å; L565-Y568 HydrophobicContact CD1-CD1 3.99Å; L565-Y568 PolarHBondContact O-N 2.94Å; L565-L569 HydrophobicContact CD1-CD1 3.98Å; L565-L569 HydrophobicContact CD1-CD2 4.19Å; L565-L569 HydrophobicContact CD1-CG 3.77Å; L565-L569 HydrophobicContact CG-CD1 3.86Å; L565-L569 HydrophobicContact CG-CG 4.17Å; L565-L569 WeakPolarHBondContact O-CB 3.29Å; L565-L569 WeakPolarHBondContact O-CD1 3.36Å; L565-L569 WeakPolarHBondContact O-CG 3.44Å; L565-L569 PolarHBondContact O-N 2.78Å; L565-A622 WeakPolarHBondContact CB-O 3.33Å; L565-A622 PolarHBondContact N-O 3.27Å; L565-V625 HydrophobicContact CB-CB 3.89Å; L565-V625 HydrophobicContact CB-CG1 4.09Å; L565-V625 HydrophobicContact CD2-CB 4Å; L565-V625 HydrophobicContact CD2-CG1 3.89Å; L565-V625 PolarHBondContact N-O 3.32Å; L565-V627 HydrophobicContact CB-CG2 4.15Å; L565-V627 HydrophobicContact CD1-CG2 4.07Å; L565-M633 HydrophobicContact CD1-SD 3.71Å; L565-M633 HydrophobicContact CD2-SD 4.25Å; L565-M633 HydrophobicContact CG-SD 4.49Å; L565-L685 HydrophobicContact CD2-CD1 4.4Å; L565-I689 HydrophobicContact CD2-CD1 4.26Å; L565-I689 HydrophobicContact CD2-CG1 4.11Å |
| 566 | R | 93.9 | Very high | 89.2 | Confident | 56 Ų | 56 | 39.7 Ų | 39.7 | 21% | 0.211 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.2 | -50.6 | 178.5 | -169.4 | -171.1 | -166.8 | -173 | 6.5 | 112 | N564 R570 A622 | N564-R566 VanDerWaalsContact C-N 3.29Å; N564-R566 PolarHBondContact O-N 3.28Å; N564-R566 WeakPolarHBondContact OD1-CB 3.22Å; N564-R566 PolarHBondContact OD1-N 2.95Å; R566-R570 WeakPolarHBondContact O-CB 3.18Å; R566-R570 WeakPolarHBondContact O-CD 3.47Å; R566-R570 WeakPolarHBondContact O-CG 3.15Å; R566-R570 PolarHBondContact O-N 3.26Å; R566-R570 VanDerWaalsContact O-N 3.13Å; R566-A622 HydrophobicContact CB-CB 3.94Å; R566-A622 PolarHBondContact N-O 2.9Å |
| 567 | E | 91.6 | Very high | 87.2 | Confident | 87 Ų | 87 | 43.8 Ų | 43.8 | 41% | 0.407 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -76.2 | -31.6 | 179.9 | -58.6 | -49.6 | 135.4 | 0 | 0 | 112 | N564 L565 L569 R570 A571 | N564-E567 PolarHBondContact O-N 3.01Å; N564-E567 PolarHBondContact OD1-N 2.81Å; L565-E567 PolarHBondContact O-N 2.94Å; E567-L569 PolarHBondContact O-N 3.47Å; E567-R570 PolarHBondContact O-N 3.48Å; E567-R570 WeakPolarHBondContact OE1-CD 3.35Å; E567-R570 IonicContact OE1-CZ 2.72Å; E567-R570 IonicContact OE1-NE 3.76Å; E567-R570 IonicContact OE1-NH1 3.1Å; E567-R570 PolarHBondContact OE1-NH1 3.07Å; E567-R570 VanDerWaalsContact OE2-CD 3.27Å; E567-R570 WeakPolarHBondContact OE2-CD 3.33Å; E567-R570 IonicContact OE2-NH1 3.35Å; E567-A571 WeakPolarHBondContact O-CB 3.36Å; E567-A571 PolarHBondContact O-N 3.24Å |
| 568 | Y | 93.7 | Very high | 84.8 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 4% | 0.035 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.8 | -45.6 | 170.2 | 173.3 | -89.8 | 0 | 0 | 0 | 112.9 | K562 N564 L565 R572 L591 V627 N631 | K562-Y568 HydrophobicContact CB-CD2 3.95Å; K562-Y568 HydrophobicContact CB-CE2 4.32Å; K562-Y568 HydrophobicContact CD-CD2 4.34Å; K562-Y568 HydrophobicContact CD-CE2 3.85Å; N564-Y568 WeakPolarHBondContact O-CB 3.34Å; N564-Y568 PolarHBondContact O-N 3.45Å; L565-Y568 HydrophobicContact CD1-CD1 3.99Å; L565-Y568 PolarHBondContact O-N 2.94Å; Y568-R572 PolarHBondContact O-NH1 2.89Å; Y568-L591 HydrophobicContact CE1-CD1 4.07Å; Y568-L591 HydrophobicContact CE1-CD2 3.96Å; Y568-V627 HydrophobicContact CD1-CG2 4.24Å; Y568-V627 HydrophobicContact CD2-CB 4.17Å; Y568-V627 HydrophobicContact CD2-CG1 3.87Å; Y568-V627 HydrophobicContact CD2-CG2 4.25Å; Y568-V627 HydrophobicContact CE2-CG1 3.8Å; Y568-V627 HydrophobicContact CG-CB 4.35Å; Y568-V627 HydrophobicContact CG-CG1 4.31Å; Y568-V627 HydrophobicContact CG-CG2 3.93Å; Y568-N631 PolarHBondContact OH-OD1 2.94Å |
| 569 | L | 93.3 | Very high | 82.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.9 | -44.4 | 176.3 | -69.8 | 165.7 | 0 | 0 | 0 | 111.2 | L565 E567 A571 R572 R573 L591 L596 I689 L692 | L565-L569 HydrophobicContact CD1-CD1 3.98Å; L565-L569 HydrophobicContact CD1-CD2 4.19Å; L565-L569 HydrophobicContact CD1-CG 3.77Å; L565-L569 HydrophobicContact CG-CD1 3.86Å; L565-L569 HydrophobicContact CG-CG 4.17Å; L565-L569 WeakPolarHBondContact O-CB 3.29Å; L565-L569 WeakPolarHBondContact O-CD1 3.36Å; L565-L569 WeakPolarHBondContact O-CG 3.44Å; L565-L569 PolarHBondContact O-N 2.78Å; E567-L569 PolarHBondContact O-N 3.47Å; L569-A571 VanDerWaalsContact C-N 3.34Å; L569-A571 PolarHBondContact O-N 3.3Å; L569-R572 CarbonylContact O-C 3.53Å; L569-R572 PolarHBondContact O-N 2.95Å; L569-R572 VanDerWaalsContact O-N 3.09Å; L569-R573 PolarHBondContact O-N 2.89Å; L569-L591 HydrophobicContact CD2-CD1 3.63Å; L569-L596 HydrophobicContact CD2-CD2 3.74Å; L569-I689 HydrophobicContact CD1-CG1 4.35Å; L569-L692 CarbonylContact C-O 3.43Å; L569-L692 VanDerWaalsContact CB-C 3.44Å; L569-L692 HydrophobicContact CB-CB 4.47Å; L569-L692 HydrophobicContact CD2-CD2 4.27Å |
| 570 | R | 90.8 | Very high | 79.3 | Confident | 71 Ų | 71 | 52.1 Ų | 52.1 | 27% | 0.268 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.8 | -38.9 | -178.8 | -76.5 | 165.8 | 165.2 | -154.5 | -19.3 | 113.1 | R566 E567 R572 R573 L692 G693 | R566-R570 WeakPolarHBondContact O-CB 3.18Å; R566-R570 WeakPolarHBondContact O-CD 3.47Å; R566-R570 WeakPolarHBondContact O-CG 3.15Å; R566-R570 PolarHBondContact O-N 3.26Å; R566-R570 VanDerWaalsContact O-N 3.13Å; E567-R570 PolarHBondContact O-N 3.48Å; E567-R570 WeakPolarHBondContact OE1-CD 3.35Å; E567-R570 IonicContact OE1-CZ 2.72Å; E567-R570 IonicContact OE1-NE 3.76Å; E567-R570 IonicContact OE1-NH1 3.1Å; E567-R570 PolarHBondContact OE1-NH1 3.07Å; E567-R570 VanDerWaalsContact OE2-CD 3.27Å; E567-R570 WeakPolarHBondContact OE2-CD 3.33Å; E567-R570 IonicContact OE2-NH1 3.35Å; R570-R572 PolarHBondContact O-N 2.87Å; R570-R573 WeakPolarHBondContact O-CB 3.47Å; R570-R573 PolarHBondContact O-N 3.28Å; R570-L692 PolarHBondContact N-O 2.73Å; R570-G693 PolarHBondContact NE-O 3.31Å; R570-G693 PolarHBondContact NH2-O 3.37Å |
| 571 | A | 88.6 | Confident | 76.6 | Confident | 61 Ų | 61 | 55.8 Ų | 55.8 | 50% | 0.504 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -20 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E567 L569 | E567-A571 WeakPolarHBondContact O-CB 3.36Å; E567-A571 PolarHBondContact O-N 3.24Å; L569-A571 VanDerWaalsContact C-N 3.34Å; L569-A571 PolarHBondContact O-N 3.3Å |
| 572 | R | 89 | Confident | 74.1 | Confident | 40 Ų | 40 | 60.5 Ų | 60.5 | 15% | 0.151 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 19.2 | -178.3 | -61.6 | -179.1 | 170.3 | 60.2 | 5.2 | 113.3 | Y568 L569 R570 E589 L591 | Y568-R572 PolarHBondContact O-NH1 2.89Å; L569-R572 CarbonylContact O-C 3.53Å; L569-R572 PolarHBondContact O-N 2.95Å; L569-R572 VanDerWaalsContact O-N 3.09Å; R570-R572 PolarHBondContact O-N 2.87Å; R572-E589 WeakPolarHBondContact CG-O 3.44Å; R572-E589 IonicContact CZ-OE2 2.69Å; R572-E589 IonicContact NE-OE2 3.05Å; R572-E589 PolarHBondContact NE-OE2 3.37Å; R572-E589 IonicContact NH2-OE2 3.45Å; R572-E589 PolarHBondContact NH2-OE2 2.83Å; R572-L591 HydrophobicContact CB-CD1 4.01Å; R572-L591 HydrophobicContact CB-CG 3.87Å; R572-L591 HydrophobicContact CG-CG 4.39Å |
| 573 | R | 85 | Confident | 71.6 | Confident | 17 Ų | 17 | 60.1 Ų | 60.1 | 6% | 0.064 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 140.2 | 175 | -78.9 | 171 | 169.2 | -159.6 | -31 | 111.2 | L569 R570 D578 T691 L692 | L569-R573 PolarHBondContact O-N 2.89Å; R570-R573 WeakPolarHBondContact O-CB 3.47Å; R570-R573 PolarHBondContact O-N 3.28Å; R573-D578 VanDerWaalsContact CD-OD2 3.31Å; R573-D578 WeakPolarHBondContact CD-OD2 3.35Å; R573-D578 VanDerWaalsContact CZ-CG 3.42Å; R573-D578 IonicContact CZ-OD1 2.78Å; R573-D578 IonicContact CZ-OD2 3.27Å; R573-D578 IonicContact NE-OD2 3.94Å; R573-D578 PolarHBondContact NE-OD2 3.21Å; R573-D578 IonicContact NH1-OD1 2.76Å; R573-D578 PolarHBondContact NH1-OD1 3.17Å; R573-D578 IonicContact NH1-OD2 3.85Å; R573-D578 PolarHBondContact NH1-OD2 2.76Å; R573-D578 IonicContact NH2-OD1 3.66Å; R573-D578 IonicContact NH2-OD2 3.65Å; R573-D578 PolarHBondContact NH2-OD2 2.9Å; R573-T691 PolarHBondContact NH2-O 3.33Å; R573-L692 HydrophobicContact CG-CB 3.65Å; R573-L692 HydrophobicContact CG-CD1 3.96Å; R573-L692 HydrophobicContact CG-CG 4.47Å; R573-L692 VanDerWaalsContact CZ-O 3.27Å; R573-L692 PolarHBondContact NE-O 3.21Å; R573-L692 PolarHBondContact NH2-O 3.05Å |
| 574 | P | 76.7 | Confident | 69.1 | Low | 36 Ų | 36 | 63.6 Ų | 63.6 | 23% | 0.234 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 141.4 | 171.2 | -24.5 | 33.2 | 0 | 0 | 0 | 111.5 | G576 M577 | P574-G576 PolarHBondContact O-N 2.83Å; P574-M577 HydrophobicContact CG-SD 4.21Å; P574-M577 PolarHBondContact O-N 3.46Å |
| 575 | P | 64.5 | Low | 66.8 | Low | 88 Ų | 88 | 69.5 Ų | 69.5 | 57% | 0.571 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 122.8 | 174.8 | -26.3 | 35 | 0 | 0 | 0 | 111.5 | ||
| 576 | G | 59.3 | Low | 64.5 | Low | 58 Ų | 58 | 76.1 Ų | 76.1 | 60% | 0.598 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.9 | -8.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | P574 D578 | P574-G576 PolarHBondContact O-N 2.83Å; G576-D578 PolarHBondContact O-N 2.85Å |
| 577 | M | 53.1 | Low | 62.8 | Low | 87 Ų | 87 | 74.6 Ų | 74.6 | 43% | 0.429 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -73.1 | -25.1 | -178.3 | -136.4 | 174.8 | -161.8 | 0 | 0 | 114.1 | P574 L692 A719 | P574-M577 HydrophobicContact CG-SD 4.21Å; P574-M577 PolarHBondContact O-N 3.46Å; M577-L692 HydrophobicContact SD-CD1 4.32Å; M577-A719 HydrophobicContact CE-CB 4.37Å |
| 578 | D | 46 | Very low | 61.3 | Low | 62 Ų | 62 | 78.6 Ų | 78.6 | 33% | 0.332 | 43% | 0.425 | S | S | . | . | trans | -143.6 | 149.8 | -179 | -78.1 | -105.6 | 0 | 0 | 0 | 113.8 | R573 G576 S580 | R573-D578 VanDerWaalsContact CD-OD2 3.31Å; R573-D578 WeakPolarHBondContact CD-OD2 3.35Å; R573-D578 VanDerWaalsContact CZ-CG 3.42Å; R573-D578 IonicContact CZ-OD1 2.78Å; R573-D578 IonicContact CZ-OD2 3.27Å; R573-D578 IonicContact NE-OD2 3.94Å; R573-D578 PolarHBondContact NE-OD2 3.21Å; R573-D578 IonicContact NH1-OD1 2.76Å; R573-D578 PolarHBondContact NH1-OD1 3.17Å; R573-D578 IonicContact NH1-OD2 3.85Å; R573-D578 PolarHBondContact NH1-OD2 2.76Å; R573-D578 IonicContact NH2-OD1 3.66Å; R573-D578 IonicContact NH2-OD2 3.65Å; R573-D578 PolarHBondContact NH2-OD2 2.9Å; G576-D578 PolarHBondContact O-N 2.85Å; D578-S580 PolarHBondContact O-N 3.48Å; D578-S580 VanDerWaalsContact O-N 3.16Å | ||
| 579 | Y | 40.1 | Very low | 60.2 | Low | 186 Ų | 186 | 82.6 Ų | 82.6 | 73% | 0.729 | 44% | 0.444 | S | S | * | . | trans | -81 | 22.5 | 178.5 | -74.8 | -98 | 0 | 0 | 0 | 114.3 | R182 | R182-Y579 PolarHBondContact NH2-O 2.82Š| ||
| 580 | S | 36.4 | Very low | 59.6 | Low | 58 Ų | 58 | 88.7 Ų | 88.7 | 41% | 0.406 | 47% | 0.473 | S | S | . | . | trans | -63.4 | 162.5 | 169 | 60.9 | 0 | 0 | 0 | 0 | 110.8 | D578 | D578-S580 PolarHBondContact O-N 3.48Å; D578-S580 VanDerWaalsContact O-N 3.16Å | ||
| 581 | F | 38.6 | Very low | 59.6 | Low | 88 Ų | 88 | 86.3 Ų | 86.3 | 39% | 0.386 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -90.1 | -10.7 | -167.4 | -99.3 | -121.1 | 0 | 0 | 0 | 115 | K180 V221 | K180-F581 HydrophobicContact CD-CE1 4.12Å; K180-F581 HydrophobicContact CD-CE2 3.68Å; K180-F581 HydrophobicContact CD-CZ 3.34Å; K180-F581 HydrophobicContact CG-CZ 4.49Å; V221-F581 HydrophobicContact CG2-CZ 4.11Å |
| 582 | D | 41.1 | Very low | 59.7 | Low | 140 Ų | 140 | 86.5 Ų | 86.5 | 75% | 0.749 | 46% | 0.46 | S | S | * | . | trans | -100.1 | -7.8 | -161.5 | -63.1 | -44.7 | 0 | 0 | 0 | 115.9 | C584 | D582-C584 PolarHBondContact O-N 3.08Š| ||
| 583 | T | 39.4 | Very low | 59.8 | Low | 38 Ų | 38 | 87.8 Ų | 87.8 | 23% | 0.233 | 47% | 0.467 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 72.5 | -175.7 | 46.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 584 | C | 40.9 | Very low | 60.3 | Low | 105 Ų | 105 | 89.6 Ų | 89.6 | 71% | 0.709 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -3.4 | 140.7 | -81.9 | 0 | 0 | 0 | 0 | 112.1 | K162 D582 | K162-C584 PolarHBondContact NZ-SG 3Å; K162-C584 VanDerWaalsContact NZ-SG 3.4Å; D582-C584 PolarHBondContact O-N 3.08Å |
| 585 | K | 44.7 | Very low | 61.1 | Low | 173 Ų | 173 | 90.8 Ų | 90.8 | 75% | 0.752 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -84 | 130.4 | 164.5 | -63.8 | -171.3 | 175.7 | -169.6 | 0 | 109.1 | ||
| 586 | I | 48.9 | Very low | 62.6 | Low | 138 Ų | 138 | 86.8 Ų | 86.8 | 71% | 0.708 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 132.2 | 159.7 | -59.1 | 170.3 | 0 | 0 | 0 | 105.6 | D588 | I586-D588 PolarHBondContact O-N 3.16Š|
| 587 | P | 57.7 | Low | 64.4 | Low | 24 Ų | 24 | 84 Ų | 84 | 16% | 0.156 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 127.9 | 174.5 | -20.2 | 32.1 | 0 | 0 | 0 | 109.9 | E589 | P587-E589 PolarHBondContact O-N 3.42Å; P587-E589 VanDerWaalsContact O-N 3.16Å |
| 588 | D | 58.5 | Low | 66.5 | Low | 171 Ų | 171 | 81.5 Ų | 81.5 | 91% | 0.914 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -60.9 | -23.7 | 176.7 | -56.6 | -58.1 | 0 | 0 | 0 | 111.9 | I586 | I586-D588 PolarHBondContact O-N 3.16Š|
| 589 | E | 71.1 | Confident | 68.9 | Low | 94 Ų | 94 | 78.8 Ų | 78.8 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -134.1 | 118.6 | 172.9 | -62.4 | 173.9 | 152.3 | 0 | 0 | 109.5 | R572 P587 | R572-E589 WeakPolarHBondContact CG-O 3.44Å; R572-E589 IonicContact CZ-OE2 2.69Å; R572-E589 IonicContact NE-OE2 3.05Å; R572-E589 PolarHBondContact NE-OE2 3.37Å; R572-E589 IonicContact NH2-OE2 3.45Å; R572-E589 PolarHBondContact NH2-OE2 2.83Å; P587-E589 PolarHBondContact O-N 3.42Å; P587-E589 VanDerWaalsContact O-N 3.16Å |
| 590 | Q | 82 | Confident | 71.7 | Confident | 127 Ų | 127 | 69.9 Ų | 69.9 | 59% | 0.593 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -93 | 137.4 | 168.3 | -175.6 | 173.8 | -15.4 | 0 | 0 | 109.9 | ||
| 591 | L | 89.1 | Confident | 74.7 | Confident | 22 Ų | 22 | 68.9 Ų | 68.9 | 12% | 0.115 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 127.7 | 176.9 | -64.1 | 172.1 | 0 | 0 | 0 | 110.9 | Y568 L569 R572 D595 L596 L692 | Y568-L591 HydrophobicContact CE1-CD1 4.07Å; Y568-L591 HydrophobicContact CE1-CD2 3.96Å; L569-L591 HydrophobicContact CD2-CD1 3.63Å; R572-L591 HydrophobicContact CB-CD1 4.01Å; R572-L591 HydrophobicContact CB-CG 3.87Å; R572-L591 HydrophobicContact CG-CG 4.39Å; L591-D595 HydrophobicContact CB-CB 4.41Å; L591-D595 HydrophobicContact CD2-CB 4.05Å; L591-L596 HydrophobicContact CB-CD2 4.27Å; L591-L596 HydrophobicContact CD1-CD2 4.03Å; L591-L692 HydrophobicContact CD1-CD2 4.41Å |
| 592 | T | 92.1 | Very high | 77.5 | Confident | 65 Ų | 65 | 65.9 Ų | 65.9 | 40% | 0.399 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 165.1 | 170.7 | 69.5 | 0 | 0 | 0 | 0 | 110.9 | K594 D595 L596 | T592-K594 PolarHBondContact O-N 3.21Å; T592-K594 PolarHBondContact OG1-N 3.48Å; T592-D595 WeakPolarHBondContact CB-OD2 3.3Å; T592-D595 PolarHBondContact N-OD2 2.92Å; T592-D595 PolarHBondContact O-N 2.95Å; T592-D595 PolarHBondContact OG1-N 3.5Å; T592-D595 PolarHBondContact OG1-OD2 2.84Å; T592-L596 PolarHBondContact O-N 2.75Å |
| 593 | F | 91.6 | Very high | 80.3 | Confident | 66 Ų | 66 | 59.2 Ų | 59.2 | 29% | 0.289 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.8 | -39 | 170.6 | 176.2 | -101.5 | 0 | 0 | 0 | 112 | D595 L596 V597 F690 T722 L725 T757 | F593-D595 VanDerWaalsContact C-N 3.33Å; F593-D595 PolarHBondContact O-N 3.47Å; F593-L596 PolarHBondContact O-N 2.62Å; F593-L596 VanDerWaalsContact O-N 3.16Å; F593-V597 HydrophobicContact CD1-CG2 4.2Å; F593-V597 HydrophobicContact CE1-CG2 3.73Å; F593-V597 HydrophobicContact CE2-CG2 4.28Å; F593-V597 HydrophobicContact CZ-CG2 3.77Å; F593-V597 WeakPolarHBondContact O-CG2 3.47Å; F593-V597 PolarHBondContact O-N 2.82Å; F593-F690 HydrophobicContact CD2-CE1 4.1Å; F593-F690 HydrophobicContact CE2-CD1 4.42Å; F593-F690 AromaticContact CE2-CE1 3.8Å; F593-F690 HydrophobicContact CE2-CE1 3.8Å; F593-T722 HydrophobicContact CE1-CG2 4.27Å; F593-T722 HydrophobicContact CE2-CG2 3.88Å; F593-T722 HydrophobicContact CZ-CG2 3.49Å; F593-T722 VanDerWaalsContact CZ-CG2 3.49Å; F593-L725 HydrophobicContact CE2-CD1 3.57Å; F593-L725 HydrophobicContact CZ-CD1 3.41Å; F593-L725 VanDerWaalsContact CZ-CD1 3.41Å; F593-T757 HydrophobicContact CD1-CG2 4.13Å |
| 594 | K | 93.6 | Very high | 83.1 | Confident | 55 Ų | 55 | 57.4 Ų | 57.4 | 24% | 0.239 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.2 | -39.4 | 175.9 | -170.9 | -179.8 | -176.7 | -180 | 0 | 112.3 | T592 V597 S598 L754 T757 S758 E761 | T592-K594 PolarHBondContact O-N 3.21Å; T592-K594 PolarHBondContact OG1-N 3.48Å; K594-V597 PolarHBondContact O-N 2.84Å; K594-S598 VanDerWaalsContact O-CB 3.3Å; K594-S598 WeakPolarHBondContact O-CB 3.22Å; K594-S598 PolarHBondContact O-N 3.1Å; K594-L754 HydrophobicContact CG-CD1 4.02Å; K594-T757 HydrophobicContact CB-CG2 3.88Å; K594-T757 HydrophobicContact CG-CG2 4.1Å; K594-S758 VanDerWaalsContact CE-OG 3.26Å; K594-S758 WeakPolarHBondContact CE-OG 3.48Å; K594-E761 WeakPolarHBondContact CD-OE1 3.44Å; K594-E761 IonicContact NZ-OE1 2.76Å; K594-E761 IonicContact NZ-OE2 2.77Å; K594-E761 PolarHBondContact NZ-OE2 3.3Å |
| 595 | D | 94.5 | Very high | 85.8 | Confident | 61 Ų | 61 | 56.5 Ų | 56.5 | 33% | 0.326 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 175 | -61.5 | -52.8 | 0 | 0 | 0 | 111.9 | L591 T592 F593 S598 C599 | L591-D595 HydrophobicContact CB-CB 4.41Å; L591-D595 HydrophobicContact CD2-CB 4.05Å; T592-D595 WeakPolarHBondContact CB-OD2 3.3Å; T592-D595 PolarHBondContact N-OD2 2.92Å; T592-D595 PolarHBondContact O-N 2.95Å; T592-D595 PolarHBondContact OG1-N 3.5Å; T592-D595 PolarHBondContact OG1-OD2 2.84Å; F593-D595 VanDerWaalsContact C-N 3.33Å; F593-D595 PolarHBondContact O-N 3.47Å; D595-S598 WeakPolarHBondContact O-CB 3.35Å; D595-S598 PolarHBondContact O-N 3.22Å; D595-C599 PolarHBondContact O-N 3.45Å; D595-C599 PolarHBondContact O-SG 2.94Å |
| 596 | L | 96.1 | Very high | 88.4 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.2 | -41.9 | 177.4 | -59.1 | -179.8 | 0 | 0 | 0 | 111.9 | L569 L591 T592 F593 C599 A600 I689 F690 L692 | L569-L596 HydrophobicContact CD2-CD2 3.74Å; L591-L596 HydrophobicContact CB-CD2 4.27Å; L591-L596 HydrophobicContact CD1-CD2 4.03Å; T592-L596 PolarHBondContact O-N 2.75Å; F593-L596 PolarHBondContact O-N 2.62Å; F593-L596 VanDerWaalsContact O-N 3.16Å; L596-C599 WeakPolarHBondContact O-CB 3.32Å; L596-C599 PolarHBondContact O-N 3.11Å; L596-A600 PolarHBondContact O-N 3.35Å; L596-I689 HydrophobicContact CB-CG2 3.97Å; L596-I689 HydrophobicContact CD2-CG2 4.04Å; L596-F690 HydrophobicContact CB-CD1 4.04Å; L596-F690 HydrophobicContact CB-CE1 3.53Å; L596-F690 HydrophobicContact CB-CZ 3.98Å; L596-F690 HydrophobicContact CD1-CD1 3.96Å; L596-F690 HydrophobicContact CD1-CE1 4.22Å; L596-L692 HydrophobicContact CD1-CD2 3.88Å; L596-L692 HydrophobicContact CD2-CD2 3.64Å; L596-L692 HydrophobicContact CG-CD2 4.38Å |
| 597 | V | 96.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.4 | -42.1 | 172.5 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | F593 K594 C599 A600 Y601 F690 L725 I753 L754 | F593-V597 HydrophobicContact CD1-CG2 4.2Å; F593-V597 HydrophobicContact CE1-CG2 3.73Å; F593-V597 HydrophobicContact CE2-CG2 4.28Å; F593-V597 HydrophobicContact CZ-CG2 3.77Å; F593-V597 WeakPolarHBondContact O-CG2 3.47Å; F593-V597 PolarHBondContact O-N 2.82Å; K594-V597 PolarHBondContact O-N 2.84Å; V597-C599 PolarHBondContact O-N 2.91Å; V597-A600 WeakPolarHBondContact O-CB 3Å; V597-A600 PolarHBondContact O-N 3.22Å; V597-Y601 VanDerWaalsContact O-CB 3.32Å; V597-Y601 WeakPolarHBondContact O-CB 3.5Å; V597-Y601 PolarHBondContact O-N 2.87Å; V597-F690 HydrophobicContact CG2-CE1 4.34Å; V597-F690 HydrophobicContact CG2-CZ 4Å; V597-L725 HydrophobicContact CG2-CD1 4.08Å; V597-I753 HydrophobicContact CG1-CB 4.44Å; V597-I753 HydrophobicContact CG1-CG2 4.02Å; V597-I753 HydrophobicContact CG2-CG2 4.2Å; V597-L754 HydrophobicContact CB-CD1 4.29Å; V597-L754 HydrophobicContact CG1-CB 3.97Å; V597-L754 HydrophobicContact CG1-CD1 4.04Å |
| 598 | S | 97.2 | Very high | 92.7 | Very high | 34 Ų | 34 | 43.6 Ų | 43.6 | 24% | 0.238 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.7 | -42.3 | 174.1 | 177.9 | 0 | 0 | 0 | 0 | 112.2 | K594 D595 Y601 Q602 | K594-S598 VanDerWaalsContact O-CB 3.3Å; K594-S598 WeakPolarHBondContact O-CB 3.22Å; K594-S598 PolarHBondContact O-N 3.1Å; D595-S598 WeakPolarHBondContact O-CB 3.35Å; D595-S598 PolarHBondContact O-N 3.22Å; S598-Y601 PolarHBondContact O-N 3.23Å; S598-Q602 VanDerWaalsContact O-CB 3.3Å; S598-Q602 WeakPolarHBondContact O-CB 3.47Å; S598-Q602 VanDerWaalsContact O-CG 3.22Å; S598-Q602 WeakPolarHBondContact O-CG 3.41Å; S598-Q602 PolarHBondContact O-N 2.81Å; S598-Q602 PolarHBondContact OG-NE2 3Å |
| 599 | C | 97.8 | Very high | 94.5 | Very high | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.034 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.8 | -48.3 | 174.4 | -68.4 | 0 | 0 | 0 | 0 | 111.2 | D595 L596 V597 Q602 V603 M633 I689 | D595-C599 PolarHBondContact O-N 3.45Å; D595-C599 PolarHBondContact O-SG 2.94Å; L596-C599 WeakPolarHBondContact O-CB 3.32Å; L596-C599 PolarHBondContact O-N 3.11Å; V597-C599 PolarHBondContact O-N 2.91Å; C599-Q602 PolarHBondContact O-N 3.2Å; C599-V603 WeakPolarHBondContact O-CG2 3.5Å; C599-V603 PolarHBondContact O-N 3.27Å; C599-V603 VanDerWaalsContact O-N 3.16Å; C599-M633 HydrophobicContact CB-CG 4.2Å; C599-M633 HydrophobicContact CB-SD 4.21Å; C599-M633 VanDerWaalsContact SG-CE 3.59Å; C599-I689 HydrophobicContact CB-CD1 4.47Å; C599-I689 HydrophobicContact CB-CG2 4.43Å |
| 600 | A | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59 | -52.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L596 V597 Q602 V603 A604 Y682 L686 I689 F690 L750 | L596-A600 PolarHBondContact O-N 3.35Å; V597-A600 WeakPolarHBondContact O-CB 3Å; V597-A600 PolarHBondContact O-N 3.22Å; A600-Q602 PolarHBondContact O-N 3.42Å; A600-V603 PolarHBondContact O-N 3.32Å; A600-A604 PolarHBondContact O-N 3.02Å; A600-Y682 VanDerWaalsContact C-OH 3.28Å; A600-Y682 PolarHBondContact O-OH 3.12Å; A600-L686 HydrophobicContact CB-CD2 3.45Å; A600-L686 VanDerWaalsContact CB-CD2 3.45Å; A600-I689 HydrophobicContact CB-CD1 4.38Å; A600-F690 HydrophobicContact CB-CE2 4.49Å; A600-L750 HydrophobicContact CB-CD1 4.24Å; A600-L750 HydrophobicContact CB-CD2 4.31Å |
| 601 | Y | 98.6 | Very high | 96.2 | Very high | 36 Ų | 36 | 28.7 Ų | 28.7 | 14% | 0.141 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56.8 | -45.7 | 178.5 | 169.8 | -103.1 | 0 | 0 | 0 | 112.5 | V597 S598 V603 A604 R605 V747 L750 D751 L754 | V597-Y601 VanDerWaalsContact O-CB 3.32Å; V597-Y601 WeakPolarHBondContact O-CB 3.5Å; V597-Y601 PolarHBondContact O-N 2.87Å; S598-Y601 PolarHBondContact O-N 3.23Å; Y601-V603 VanDerWaalsContact C-N 3.34Å; Y601-V603 PolarHBondContact O-N 3.48Å; Y601-A604 WeakPolarHBondContact O-CB 3.44Å; Y601-A604 PolarHBondContact O-N 3.44Å; Y601-R605 HydrophobicContact CE2-CG 4.33Å; Y601-R605 VanDerWaalsContact CZ-CD 3.44Å; Y601-R605 PolarHBondContact O-N 3.34Å; Y601-V747 HydrophobicContact CE2-CG1 4.04Å; Y601-L750 HydrophobicContact CD2-CB 4.08Å; Y601-D751 HydrophobicContact CD2-CB 4.33Å; Y601-D751 HydrophobicContact CE2-CB 3.72Å; Y601-D751 WeakPolarHBondContact CE2-OD1 3.43Å; Y601-D751 PolarHBondContact OH-OD1 3.34Å; Y601-L754 HydrophobicContact CD1-CD2 4.2Å; Y601-L754 HydrophobicContact CG-CD2 4.41Å |
| 602 | Q | 98.6 | Very high | 96.5 | Very high | 25 Ų | 25 | 31.1 Ų | 31.1 | 12% | 0.117 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.1 | -41.1 | 177.9 | -78.8 | -172.7 | 73.2 | 0 | 0 | 112.4 | N539 S598 C599 A600 G606 N631 M633 | N539-Q602 WeakPolarHBondContact CB-O 3.43Å; N539-Q602 WeakPolarHBondContact ND2-CB 3.41Å; N539-Q602 PolarHBondContact ND2-OE1 3.4Å; S598-Q602 VanDerWaalsContact O-CB 3.3Å; S598-Q602 WeakPolarHBondContact O-CB 3.47Å; S598-Q602 VanDerWaalsContact O-CG 3.22Å; S598-Q602 WeakPolarHBondContact O-CG 3.41Å; S598-Q602 PolarHBondContact O-N 2.81Å; S598-Q602 PolarHBondContact OG-NE2 3Å; C599-Q602 PolarHBondContact O-N 3.2Å; A600-Q602 PolarHBondContact O-N 3.42Å; Q602-G606 PolarHBondContact O-N 3.14Å; Q602-N631 PolarHBondContact NE2-O 2.79Å; Q602-M633 HydrophobicContact CB-CB 3.89Å; Q602-M633 HydrophobicContact CB-CG 3.95Å |
| 603 | V | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -72 | -37.9 | 175.6 | -179.4 | 0 | 0 | 0 | 0 | 111.7 | C599 A600 Y601 R605 G606 M607 L620 V625 M633 I635 Y682 L685 | C599-V603 WeakPolarHBondContact O-CG2 3.5Å; C599-V603 PolarHBondContact O-N 3.27Å; C599-V603 VanDerWaalsContact O-N 3.16Å; A600-V603 PolarHBondContact O-N 3.32Å; Y601-V603 VanDerWaalsContact C-N 3.34Å; Y601-V603 PolarHBondContact O-N 3.48Å; V603-R605 VanDerWaalsContact C-N 3.29Å; V603-R605 PolarHBondContact O-N 2.83Å; V603-G606 PolarHBondContact O-N 2.85Å; V603-G606 VanDerWaalsContact O-N 3.09Å; V603-M607 HydrophobicContact CG1-CG 4.32Å; V603-M607 PolarHBondContact O-N 3.43Å; V603-L620 HydrophobicContact CG1-CD1 4.3Å; V603-V625 HydrophobicContact CG1-CG2 4.46Å; V603-V625 HydrophobicContact CG2-CG1 3.9Å; V603-V625 HydrophobicContact CG2-CG2 4.16Å; V603-M633 HydrophobicContact CG2-CB 3.9Å; V603-M633 HydrophobicContact CG2-CG 4.39Å; V603-I635 HydrophobicContact CG1-CD1 4.08Å; V603-I635 HydrophobicContact CG1-CG1 3.98Å; V603-Y682 HydrophobicContact CB-CE2 4.18Å; V603-Y682 HydrophobicContact CG1-CD2 4.25Å; V603-Y682 HydrophobicContact CG1-CE2 4.05Å; V603-L685 HydrophobicContact CB-CD2 4.25Å; V603-L685 HydrophobicContact CG1-CD2 3.57Å; V603-L685 HydrophobicContact CG2-CD2 4.43Å |
| 604 | A | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55.7 | -45.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A600 Y601 G606 M607 E608 Y682 L746 V747 L750 | A600-A604 PolarHBondContact O-N 3.02Å; Y601-A604 WeakPolarHBondContact O-CB 3.44Å; Y601-A604 PolarHBondContact O-N 3.44Å; A604-G606 VanDerWaalsContact C-N 3.35Å; A604-G606 PolarHBondContact O-N 3.16Å; A604-M607 PolarHBondContact O-N 3.19Å; A604-E608 WeakPolarHBondContact O-CB 3.47Å; A604-E608 PolarHBondContact O-N 3.07Å; A604-Y682 HydrophobicContact CB-CE2 4.23Å; A604-L746 HydrophobicContact CB-CB 4.48Å; A604-V747 HydrophobicContact CB-CG2 3.69Å; A604-L750 HydrophobicContact CB-CD1 3.97Å |
| 605 | R | 98.6 | Very high | 96.1 | Very high | 86 Ų | 86 | 31.5 Ų | 31.5 | 33% | 0.325 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.9 | -37.3 | 175.5 | -73.7 | -176.7 | 55.7 | 178.5 | -2.5 | 113.5 | H537 Y601 V603 Y609 V747 | H537-R605 PolarHBondContact CE1-O 2.63Å; Y601-R605 HydrophobicContact CE2-CG 4.33Å; Y601-R605 VanDerWaalsContact CZ-CD 3.44Å; Y601-R605 PolarHBondContact O-N 3.34Å; V603-R605 VanDerWaalsContact C-N 3.29Å; V603-R605 PolarHBondContact O-N 2.83Å; R605-Y609 PolarHBondContact O-N 2.6Å; R605-Y609 VanDerWaalsContact O-N 3.1Å; R605-V747 HydrophobicContact CB-CG2 4.33Å; R605-V747 HydrophobicContact CG-CB 4.43Å; R605-V747 HydrophobicContact CG-CG1 3.8Å; R605-V747 HydrophobicContact CG-CG2 3.66Å |
| 606 | G | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.8 | -41.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q602 V603 A604 Y609 L610 I635 | Q602-G606 PolarHBondContact O-N 3.14Å; V603-G606 PolarHBondContact O-N 2.85Å; V603-G606 VanDerWaalsContact O-N 3.09Å; A604-G606 VanDerWaalsContact C-N 3.35Å; A604-G606 PolarHBondContact O-N 3.16Å; G606-Y609 PolarHBondContact O-N 3.26Å; G606-L610 WeakPolarHBondContact O-CG 3.41Å; G606-L610 PolarHBondContact O-N 3.33Å; G606-I635 VanDerWaalsContact C-CD1 3.44Å |
| 607 | M | 98.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -74.5 | -34.3 | 177.8 | -69.2 | -57.3 | -53.3 | 0 | 0 | 113.5 | V603 A604 Y609 L610 A611 H617 L620 I635 D678 F743 | V603-M607 HydrophobicContact CG1-CG 4.32Å; V603-M607 PolarHBondContact O-N 3.43Å; A604-M607 PolarHBondContact O-N 3.19Å; M607-Y609 VanDerWaalsContact C-N 3.32Å; M607-L610 HydrophobicContact CE-CD1 4.34Å; M607-L610 PolarHBondContact O-N 3.17Å; M607-L610 HydrophobicContact SD-CD1 3.72Å; M607-A611 WeakPolarHBondContact O-CB 3.49Å; M607-A611 PolarHBondContact O-N 3.36Å; M607-H617 HydrophobicContact CE-CB 4.05Å; M607-H617 HydrophobicContact SD-CB 4.38Å; M607-L620 HydrophobicContact CE-CD2 4.11Å; M607-L620 HydrophobicContact CG-CD1 4.42Å; M607-L620 HydrophobicContact CG-CD2 3.78Å; M607-L620 HydrophobicContact SD-CD1 3.88Å; M607-L620 HydrophobicContact SD-CD2 3.72Å; M607-L620 HydrophobicContact SD-CG 4.34Å; M607-I635 HydrophobicContact CG-CD1 3.81Å; M607-I635 HydrophobicContact SD-CD1 3.74Å; M607-D678 HydrophobicContact CE-CB 3.71Å; M607-F743 HydrophobicContact CB-CD1 3.39Å; M607-F743 HydrophobicContact CB-CD2 3.9Å; M607-F743 HydrophobicContact CB-CE1 3.34Å; M607-F743 HydrophobicContact CB-CE2 3.85Å; M607-F743 HydrophobicContact CB-CG 3.68Å; M607-F743 HydrophobicContact CB-CZ 3.59Å; M607-F743 HydrophobicContact CE-CE2 3.75Å; M607-F743 HydrophobicContact CE-CZ 3.7Å; M607-F743 HydrophobicContact CG-CD1 4.32Å; M607-F743 HydrophobicContact CG-CE1 3.8Å; M607-F743 HydrophobicContact CG-CZ 3.92Å |
| 608 | E | 98.3 | Very high | 95.2 | Very high | 63 Ų | 63 | 29.9 Ų | 29.9 | 29% | 0.294 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -58.7 | -46.5 | 169.7 | -176.5 | -170.2 | -152.1 | 0 | 0 | 110.3 | A604 A611 S612 F743 R744 V747 | A604-E608 WeakPolarHBondContact O-CB 3.47Å; A604-E608 PolarHBondContact O-N 3.07Å; E608-A611 PolarHBondContact O-N 3.19Å; E608-S612 PolarHBondContact O-N 3.15Å; E608-F743 HydrophobicContact CB-CB 3.96Å; E608-R744 HydrophobicContact CG-CB 4.39Å; E608-R744 WeakPolarHBondContact OE1-CA 3.49Å; E608-R744 WeakPolarHBondContact OE1-CB 3.47Å; E608-R744 WeakPolarHBondContact OE1-CG 3.3Å; E608-V747 HydrophobicContact CB-CG2 4.2Å |
| 609 | Y | 97.8 | Very high | 94.8 | Very high | 53 Ų | 53 | 29 Ų | 29 | 21% | 0.208 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.5 | -48.6 | 174.9 | -176.7 | -94.2 | 0 | 0 | 0 | 111.5 | I534 K536 H537 I540 R605 G606 M607 A611 S612 Q613 | I534-Y609 HydrophobicContact CG2-CD1 4.46Å; I534-Y609 HydrophobicContact CG2-CE1 4Å; I534-Y609 VanDerWaalsContact O-CE1 3.27Å; I534-Y609 WeakPolarHBondContact O-CE1 3.26Å; I534-Y609 PolarHBondContact O-OH 3.29Å; I534-Y609 VanDerWaalsContact O-OH 3.13Å; K536-Y609 PolarHBondContact O-OH 2.96Å; H537-Y609 HydrophobicContact CB-CD1 3.68Å; H537-Y609 HydrophobicContact CB-CD2 4.31Å; H537-Y609 HydrophobicContact CB-CE1 3.83Å; H537-Y609 HydrophobicContact CB-CE2 4.46Å; H537-Y609 HydrophobicContact CB-CG 3.9Å; H537-Y609 AromaticContact CD2-CD2 3.88Å; H537-Y609 AromaticContact CD2-CG 3.9Å; H537-Y609 AromaticContact CG-CG 3.78Å; I540-Y609 HydrophobicContact CD1-CD1 3.52Å; I540-Y609 HydrophobicContact CD1-CE1 4.15Å; I540-Y609 HydrophobicContact CD1-CG 4.45Å; R605-Y609 PolarHBondContact O-N 2.6Å; R605-Y609 VanDerWaalsContact O-N 3.1Å; G606-Y609 PolarHBondContact O-N 3.26Å; M607-Y609 VanDerWaalsContact C-N 3.32Å; Y609-A611 VanDerWaalsContact C-N 3.31Å; Y609-A611 PolarHBondContact O-N 2.95Å; Y609-S612 WeakPolarHBondContact O-CB 3.41Å; Y609-S612 PolarHBondContact O-N 2.93Å; Y609-S612 VanDerWaalsContact O-N 3.07Å; Y609-S612 PolarHBondContact O-OG 3.15Å; Y609-Q613 HydrophobicContact CD1-CG 4.09Å; Y609-Q613 HydrophobicContact CE1-CG 3.73Å; Y609-Q613 HydrophobicContact CE2-CG 4.45Å; Y609-Q613 WeakPolarHBondContact O-CG 3.31Å; Y609-Q613 PolarHBondContact O-N 3.38Å |
| 610 | L | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56.8 | -43.1 | 176.3 | -74.4 | 168.6 | 0 | 0 | 0 | 112.5 | I534 I540 G606 M607 S612 Q613 K614 C615 I635 F638 | I534-L610 HydrophobicContact CD1-CD2 3.74Å; I534-L610 HydrophobicContact CG1-CD2 3.91Å; I534-L610 HydrophobicContact CG2-CD2 3.74Å; I540-L610 HydrophobicContact CD1-CD1 4.33Å; I540-L610 HydrophobicContact CD1-CD2 3.84Å; I540-L610 HydrophobicContact CD1-CG 3.71Å; G606-L610 WeakPolarHBondContact O-CG 3.41Å; G606-L610 PolarHBondContact O-N 3.33Å; M607-L610 HydrophobicContact CE-CD1 4.34Å; M607-L610 PolarHBondContact O-N 3.17Å; M607-L610 HydrophobicContact SD-CD1 3.72Å; L610-S612 PolarHBondContact O-N 2.9Å; L610-Q613 CarbonylContact O-C 3.37Å; L610-Q613 PolarHBondContact O-N 2.68Å; L610-Q613 VanDerWaalsContact O-N 3.17Å; L610-K614 PolarHBondContact O-N 3.31Å; L610-C615 HydrophobicContact CB-CB 4.39Å; L610-C615 HydrophobicContact CD2-CB 4.03Å; L610-C615 PolarHBondContact O-N 3.43Å; L610-I635 HydrophobicContact CD1-CD1 4.19Å; L610-I635 HydrophobicContact CD1-CG2 4.27Å; L610-F638 HydrophobicContact CD1-CE1 3.91Å; L610-F638 HydrophobicContact CD1-CZ 4.37Å; L610-F638 HydrophobicContact CD2-CE1 3.73Å; L610-F638 HydrophobicContact CD2-CZ 4.21Å; L610-F638 HydrophobicContact CG-CE1 4.49Å |
| 611 | A | 93.6 | Very high | 94.6 | Very high | 26 Ų | 26 | 28.8 Ų | 28.8 | 22% | 0.215 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.3 | -39.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M607 E608 Y609 Q613 K614 F743 | M607-A611 WeakPolarHBondContact O-CB 3.49Å; M607-A611 PolarHBondContact O-N 3.36Å; E608-A611 PolarHBondContact O-N 3.19Å; Y609-A611 VanDerWaalsContact C-N 3.31Å; Y609-A611 PolarHBondContact O-N 2.95Å; A611-Q613 VanDerWaalsContact C-N 3.26Å; A611-Q613 PolarHBondContact O-N 3.27Å; A611-K614 WeakPolarHBondContact O-CA 3.2Å; A611-K614 PolarHBondContact O-N 2.88Å; A611-F743 HydrophobicContact CB-CD2 4.35Å |
| 612 | S | 94.5 | Very high | 94.5 | Very high | 74 Ų | 74 | 27 Ų | 27 | 52% | 0.517 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -62.5 | -32.3 | 173.9 | 81.9 | 0 | 0 | 0 | 0 | 113 | E608 Y609 L610 K614 | E608-S612 PolarHBondContact O-N 3.15Å; Y609-S612 WeakPolarHBondContact O-CB 3.41Å; Y609-S612 PolarHBondContact O-N 2.93Å; Y609-S612 VanDerWaalsContact O-N 3.07Å; Y609-S612 PolarHBondContact O-OG 3.15Å; L610-S612 PolarHBondContact O-N 2.9Å; S612-K614 PolarHBondContact O-N 2.86Å |
| 613 | Q | 92.1 | Very high | 94.2 | Very high | 83 Ų | 83 | 29.6 Ų | 29.6 | 39% | 0.388 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 8.8 | 174 | -56.2 | -47.2 | -63.9 | 0 | 0 | 112.9 | Y609 L610 A611 C615 | Y609-Q613 HydrophobicContact CD1-CG 4.09Å; Y609-Q613 HydrophobicContact CE1-CG 3.73Å; Y609-Q613 HydrophobicContact CE2-CG 4.45Å; Y609-Q613 WeakPolarHBondContact O-CG 3.31Å; Y609-Q613 PolarHBondContact O-N 3.38Å; L610-Q613 CarbonylContact O-C 3.37Å; L610-Q613 PolarHBondContact O-N 2.68Å; L610-Q613 VanDerWaalsContact O-N 3.17Å; A611-Q613 VanDerWaalsContact C-N 3.26Å; A611-Q613 PolarHBondContact O-N 3.27Å; Q613-C615 PolarHBondContact O-N 3.17Å |
| 614 | K | 88.4 | Confident | 94 | Very high | 103 Ų | 103 | 30.2 Ų | 30.2 | 45% | 0.448 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 33.7 | -178.3 | -49.8 | -176.3 | -176.7 | 176.2 | 0 | 113.5 | L610 A611 S612 D643 V644 | L610-K614 PolarHBondContact O-N 3.31Å; A611-K614 WeakPolarHBondContact O-CA 3.2Å; A611-K614 PolarHBondContact O-N 2.88Å; S612-K614 PolarHBondContact O-N 2.86Å; K614-D643 WeakPolarHBondContact O-CA 3.44Å; K614-V644 HydrophobicContact CB-CB 4.22Å; K614-V644 HydrophobicContact CB-CG2 4.12Å; K614-V644 WeakPolarHBondContact O-CG2 3.29Å; K614-V644 PolarHBondContact O-N 3.25Å |
| 615 | C | 87.9 | Confident | 93.9 | Very high | 7 Ų | 7 | 30.2 Ų | 30.2 | 5% | 0.047 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 137.9 | 174.9 | -171.8 | 0 | 0 | 0 | 0 | 110.3 | I534 L610 Q613 H675 | I534-C615 HydrophobicContact CG1-CB 4.29Å; L610-C615 HydrophobicContact CB-CB 4.39Å; L610-C615 HydrophobicContact CD2-CB 4.03Å; L610-C615 PolarHBondContact O-N 3.43Å; Q613-C615 PolarHBondContact O-N 3.17Å; C615-H675 PolarHBondContact O-CE1 2.96Å; C615-H675 VanDerWaalsContact O-CE1 3.25Å; C615-H675 PolarHBondContact O-ND1 3.15Å |
| 616 | I | 88.6 | Confident | 93.8 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 3% | 0.026 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 124.9 | 172 | -50.7 | 169.5 | 0 | 0 | 0 | 107.2 | R618 A641 R642 V644 D678 | I616-R618 HydrophobicContact CB-CG 4.15Å; I616-R618 HydrophobicContact CG2-CG 3.54Å; I616-A641 CarbonylContact O-C 3.38Å; I616-A641 WeakPolarHBondContact O-CA 3.46Å; I616-A641 VanDerWaalsContact O-CB 3.3Å; I616-A641 WeakPolarHBondContact O-CB 3.2Å; I616-R642 PolarHBondContact N-O 2.78Å; I616-R642 PolarHBondContact O-N 3.28Å; I616-V644 HydrophobicContact CD1-CG2 3.87Å; I616-V644 HydrophobicContact CG1-CG2 3.71Å; I616-D678 VanDerWaalsContact CA-OD2 3.28Å; I616-D678 WeakPolarHBondContact CA-OD2 3.48Å; I616-D678 WeakPolarHBondContact CG2-OD2 3.26Å |
| 617 | H | 91.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -75.8 | -41.9 | -174.8 | -164 | -77.7 | 0 | 0 | 0 | 112.9 | M607 D619 L620 I635 A636 F638 D678 | M607-H617 HydrophobicContact CE-CB 4.05Å; M607-H617 HydrophobicContact SD-CB 4.38Å; H617-D619 PolarHBondContact CE1-O 3.13Å; H617-D619 VanDerWaalsContact ND1-C 3.26Å; H617-D619 PolarHBondContact ND1-O 3.23Å; H617-D619 PolarHBondContact O-N 2.99Å; H617-L620 PolarHBondContact ND1-N 2.86Å; H617-I635 VanDerWaalsContact CD2-CG2 3.44Å; H617-I635 WeakPolarHBondContact CD2-CG2 3.44Å; H617-I635 VanDerWaalsContact NE2-CG2 3.29Å; H617-I635 WeakPolarHBondContact NE2-CG2 3.33Å; H617-A636 PolarHBondContact CE1-O 3.04Å; H617-A636 PolarHBondContact NE2-O 3.33Å; H617-F638 AromaticContact CD2-CD1 3.93Å; H617-F638 AromaticContact CD2-CE1 3.63Å; H617-F638 AromaticContact NE2-CE1 3.96Å; H617-D678 PolarHBondContact N-OD1 3.49Å; H617-D678 PolarHBondContact N-OD2 3.35Å | ||
| 618 | R | 88 | Confident | 93.6 | Very high | 27 Ų | 27 | 29 Ų | 29 | 10% | 0.102 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 64.9 | -14.5 | 175.7 | -51.5 | 176.8 | 65.6 | -147.7 | 13.4 | 116.8 | I616 L640 Y673 D678 | I616-R618 HydrophobicContact CB-CG 4.15Å; I616-R618 HydrophobicContact CG2-CG 3.54Å; R618-L640 WeakPolarHBondContact CD-O 3.19Å; R618-L640 PolarHBondContact NH1-O 3.41Å; R618-Y673 HydrophobicContact CB-CD1 4.13Å; R618-Y673 HydrophobicContact CB-CE1 4.23Å; R618-Y673 HydrophobicContact CG-CD1 3.74Å; R618-Y673 HydrophobicContact CG-CE1 4.31Å; R618-Y673 HydrophobicContact CG-CG 4.36Å; R618-Y673 VanDerWaalsContact NE-CG 3.33Å; R618-Y673 VanDerWaalsContact NH2-CD2 3.34Å; R618-D678 PolarHBondContact N-OD1 2.99Å |
| 619 | D | 89.6 | Confident | 93.4 | Very high | 15 Ų | 15 | 31.6 Ų | 31.6 | 8% | 0.08 | 16% | 0.156 | C | C | . | . | trans | -134.6 | 53.4 | 168.7 | -165.2 | 22.9 | 0 | 0 | 0 | 113.4 | H617 A621 R623 N624 L640 P659 | H617-D619 PolarHBondContact CE1-O 3.13Å; H617-D619 VanDerWaalsContact ND1-C 3.26Å; H617-D619 PolarHBondContact ND1-O 3.23Å; H617-D619 PolarHBondContact O-N 2.99Å; D619-A621 PolarHBondContact O-N 3.36Å; D619-R623 IonicContact OD1-CZ 2.8Å; D619-R623 IonicContact OD1-NH2 2.62Å; D619-R623 PolarHBondContact OD1-NH2 3.03Å; D619-R623 IonicContact OD2-CZ 3.7Å; D619-R623 IonicContact OD2-NH2 2.75Å; D619-R623 PolarHBondContact OD2-NH2 2.81Å; D619-N624 VanDerWaalsContact CG-ND2 3.35Å; D619-N624 PolarHBondContact O-ND2 3.41Å; D619-N624 PolarHBondContact OD2-ND2 3.1Å; D619-L640 HydrophobicContact CB-CD1 3.94Å; D619-P659 HydrophobicContact CB-CG 4.4Å; D619-P659 WeakPolarHBondContact OD1-CB 3.47Å; D619-P659 WeakPolarHBondContact OD1-CG 3.43Å | ||
| 620 | L | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -78.4 | 116.5 | 176.4 | -177.6 | 66.2 | 0 | 0 | 0 | 110.5 | V603 M607 H617 I635 W662 Y682 L685 | V603-L620 HydrophobicContact CG1-CD1 4.3Å; M607-L620 HydrophobicContact CE-CD2 4.11Å; M607-L620 HydrophobicContact CG-CD1 4.42Å; M607-L620 HydrophobicContact CG-CD2 3.78Å; M607-L620 HydrophobicContact SD-CD1 3.88Å; M607-L620 HydrophobicContact SD-CD2 3.72Å; M607-L620 HydrophobicContact SD-CG 4.34Å; H617-L620 PolarHBondContact ND1-N 2.86Å; L620-I635 HydrophobicContact CD1-CG2 4.39Å; L620-W662 VanDerWaalsContact O-CD1 3.29Å; L620-Y682 HydrophobicContact CD2-CD2 4.13Å; L620-Y682 HydrophobicContact CD2-CG 4.49Å; L620-L685 HydrophobicContact CD1-CD2 4.17Å; L620-L685 HydrophobicContact CD2-CD2 4.49Å; L620-L685 HydrophobicContact CG-CD2 4.19Å | ||
| 621 | A | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -159 | 161.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111 | D619 R623 N624 V625 W662 | D619-A621 PolarHBondContact O-N 3.36Å; A621-R623 HydrophobicContact CB-CG 4.02Å; A621-R623 VanDerWaalsContact CB-NH1 3.27Å; A621-R623 PolarHBondContact O-N 3.49Å; A621-R623 VanDerWaalsContact O-N 3.09Å; A621-N624 PolarHBondContact O-N 3.32Å; A621-V625 PolarHBondContact O-N 3.28Å; A621-W662 HydrophobicContact CB-CD2 4.16Å; A621-W662 HydrophobicContact CB-CG 4.12Å; A621-W662 HydrophobicContact CB-CZ2 4.35Å; A621-W662 VanDerWaalsContact CB-NE1 3.33Å |
| 622 | A | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -63.4 | -21 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | L565 R566 N624 L685 E688 | L565-A622 WeakPolarHBondContact CB-O 3.33Å; L565-A622 PolarHBondContact N-O 3.27Å; R566-A622 HydrophobicContact CB-CB 3.94Å; R566-A622 PolarHBondContact N-O 2.9Å; A622-N624 VanDerWaalsContact C-N 3.32Å; A622-L685 HydrophobicContact CB-CD1 3.74Å; A622-E688 HydrophobicContact CB-CB 3.97Å; A622-E688 HydrophobicContact CB-CG 4.39Å; A622-E688 PolarHBondContact N-OE2 3.25Å |
| 623 | R | 93.1 | Very high | 93.6 | Very high | 78 Ų | 78 | 34.4 Ų | 34.4 | 29% | 0.294 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -72.9 | -21.9 | 172.4 | 59.9 | 169.8 | -164.2 | -73.7 | -2.6 | 114 | N564 D619 A621 | N564-R623 WeakPolarHBondContact CB-O 2.96Å; D619-R623 IonicContact OD1-CZ 2.8Å; D619-R623 IonicContact OD1-NH2 2.62Å; D619-R623 PolarHBondContact OD1-NH2 3.03Å; D619-R623 IonicContact OD2-CZ 3.7Å; D619-R623 IonicContact OD2-NH2 2.75Å; D619-R623 PolarHBondContact OD2-NH2 2.81Å; A621-R623 HydrophobicContact CB-CG 4.02Å; A621-R623 VanDerWaalsContact CB-NH1 3.27Å; A621-R623 PolarHBondContact O-N 3.49Å; A621-R623 VanDerWaalsContact O-N 3.09Å |
| 624 | N | 94.4 | Very high | 93.8 | Very high | 14 Ų | 14 | 31.2 Ų | 31.2 | 8% | 0.075 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -106.4 | 11.5 | -177 | -65.2 | -3.4 | 0 | 0 | 0 | 111.8 | D619 A621 A622 A636 D637 | D619-N624 VanDerWaalsContact CG-ND2 3.35Å; D619-N624 PolarHBondContact O-ND2 3.41Å; D619-N624 PolarHBondContact OD2-ND2 3.1Å; A621-N624 PolarHBondContact O-N 3.32Å; A622-N624 VanDerWaalsContact C-N 3.32Å; N624-A636 PolarHBondContact O-N 3.46Å; N624-A636 VanDerWaalsContact O-O 3.12Å; N624-D637 HydrophobicContact CB-CB 4.43Å |
| 625 | V | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 131.6 | 166.1 | -179.3 | 0 | 0 | 0 | 0 | 107.4 | N564 L565 V603 A621 M633 K634 L685 | N564-V625 CarbonylContact C-O 3.59Å; N564-V625 VanDerWaalsContact CA-O 3.29Å; N564-V625 WeakPolarHBondContact CA-O 3.47Å; L565-V625 HydrophobicContact CB-CB 3.89Å; L565-V625 HydrophobicContact CB-CG1 4.09Å; L565-V625 HydrophobicContact CD2-CB 4Å; L565-V625 HydrophobicContact CD2-CG1 3.89Å; L565-V625 PolarHBondContact N-O 3.32Å; V603-V625 HydrophobicContact CG1-CG2 4.46Å; V603-V625 HydrophobicContact CG2-CG1 3.9Å; V603-V625 HydrophobicContact CG2-CG2 4.16Å; A621-V625 PolarHBondContact O-N 3.28Å; V625-M633 HydrophobicContact CG1-CB 4.08Å; V625-M633 HydrophobicContact CG1-SD 4.5Å; V625-K634 CarbonylContact C-O 3.6Å; V625-L685 HydrophobicContact CG2-CD2 4.27Å |
| 626 | L | 96.4 | Very high | 94.4 | Very high | 46 Ų | 46 | 26.3 Ų | 26.3 | 24% | 0.241 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 153.2 | 178.3 | -62.2 | 178 | 0 | 0 | 0 | 111.1 | I541 A560 G563 N564 K634 A636 | I541-L626 HydrophobicContact CD1-CD1 3.91Å; I541-L626 HydrophobicContact CG1-CD1 4.21Å; A560-L626 HydrophobicContact CB-CB 3.65Å; A560-L626 HydrophobicContact CB-CD1 4.22Å; A560-L626 HydrophobicContact CB-CG 4.46Å; G563-L626 CarbonylContact O-C 3.59Å; G563-L626 WeakPolarHBondContact O-CA 3.49Å; N564-L626 HydrophobicContact CB-CD2 4.19Å; L626-K634 PolarHBondContact N-O 3.12Å; L626-K634 PolarHBondContact O-N 2.95Å; L626-A636 HydrophobicContact CD1-CB 3.73Å; L626-A636 HydrophobicContact CG-CB 3.86Å |
| 627 | V | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 122.6 | -177.5 | -171.5 | 0 | 0 | 0 | 0 | 110.2 | A560 K562 G563 L565 Y568 M633 | A560-V627 CarbonylContact C-O 3.53Å; K562-V627 HydrophobicContact CB-CB 4.03Å; K562-V627 HydrophobicContact CB-CG1 4.05Å; K562-V627 HydrophobicContact CD-CG1 4.45Å; K562-V627 PolarHBondContact N-O 2.93Å; G563-V627 PolarHBondContact O-N 2.98Å; L565-V627 HydrophobicContact CB-CG2 4.15Å; L565-V627 HydrophobicContact CD1-CG2 4.07Å; Y568-V627 HydrophobicContact CD1-CG2 4.24Å; Y568-V627 HydrophobicContact CD2-CB 4.17Å; Y568-V627 HydrophobicContact CD2-CG1 3.87Å; Y568-V627 HydrophobicContact CD2-CG2 4.25Å; Y568-V627 HydrophobicContact CE2-CG1 3.8Å; Y568-V627 HydrophobicContact CG-CB 4.35Å; Y568-V627 HydrophobicContact CG-CG1 4.31Å; Y568-V627 HydrophobicContact CG-CG2 3.93Å; V627-M633 HydrophobicContact CB-CE 4.45Å; V627-M633 HydrophobicContact CG1-CE 3.74Å; V627-M633 HydrophobicContact CG2-CE 3.98Å; V627-M633 HydrophobicContact CG2-SD 3.88Å |
| 628 | T | 95.5 | Very high | 93.4 | Very high | 16 Ų | 16 | 28.9 Ų | 28.9 | 10% | 0.098 | 14% | 0.144 | C | C | . | . | trans | -81.9 | 175.3 | 176.9 | 67.2 | 0 | 0 | 0 | 0 | 112.2 | A560 D630 N631 V632 K634 | A560-T628 HydrophobicContact CB-CG2 4.44Å; T628-D630 VanDerWaalsContact C-N 3.31Å; T628-D630 PolarHBondContact O-N 3.48Å; T628-N631 PolarHBondContact O-N 3.22Å; T628-N631 VanDerWaalsContact O-N 3.12Å; T628-V632 HydrophobicContact CG2-CB 4.42Å; T628-V632 PolarHBondContact N-O 2.74Å; T628-V632 VanDerWaalsContact OG1-CB 3.31Å; T628-V632 WeakPolarHBondContact OG1-CB 3.27Å; T628-V632 PolarHBondContact OG1-N 3.44Å; T628-V632 VanDerWaalsContact OG1-N 3.12Å; T628-V632 PolarHBondContact OG1-O 3.36Å; T628-K634 HydrophobicContact CG2-CD 3.72Å; T628-K634 HydrophobicContact CG2-CG 4.38Å | ||
| 629 | E | 93.3 | Very high | 92.5 | Very high | 116 Ų | 116 | 28.2 Ų | 28.2 | 54% | 0.542 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -46.9 | 176.8 | -159.2 | 57.2 | -126.7 | 0 | 0 | 111.9 | S561 K562 N631 | S561-E629 WeakPolarHBondContact CB-OE2 3.42Å; S561-E629 WeakPolarHBondContact OG-CA 3.36Å; S561-E629 WeakPolarHBondContact OG-CB 3.43Å; S561-E629 PolarHBondContact OG-N 3.3Å; S561-E629 VanDerWaalsContact OG-N 3.11Å; S561-E629 PolarHBondContact OG-OE2 3.46Å; K562-E629 WeakPolarHBondContact CE-O 3.32Å; K562-E629 WeakPolarHBondContact CE-OE1 3.43Å; K562-E629 PolarHBondContact NZ-O 2.93Å; E629-N631 PolarHBondContact O-N 3.31Å |
| 630 | D | 93.4 | Very high | 91.3 | Very high | 139 Ų | 139 | 29.1 Ų | 29.1 | 74% | 0.743 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 21.3 | 178.9 | -45.6 | -62 | 0 | 0 | 0 | 114.2 | T628 V632 | T628-D630 VanDerWaalsContact C-N 3.31Å; T628-D630 PolarHBondContact O-N 3.48Å; D630-V632 HydrophobicContact CB-CG2 4.32Å; D630-V632 PolarHBondContact O-N 3.09Å; D630-V632 VanDerWaalsContact O-N 3.14Å |
| 631 | N | 94.6 | Very high | 90 | Very high | 54 Ų | 54 | 29.1 Ų | 29.1 | 29% | 0.289 | 15% | 0.15 | S | C | . | . | trans | 53.8 | 31 | -177.6 | -61.2 | -23.4 | 0 | 0 | 0 | 114.4 | K562 Y568 Q602 T628 E629 M633 | K562-N631 PolarHBondContact NZ-OD1 3.19Å; Y568-N631 PolarHBondContact OH-OD1 2.94Å; Q602-N631 PolarHBondContact NE2-O 2.79Å; T628-N631 PolarHBondContact O-N 3.22Å; T628-N631 VanDerWaalsContact O-N 3.12Å; E629-N631 PolarHBondContact O-N 3.31Å; N631-M633 VanDerWaalsContact O-CE 3.28Å; N631-M633 WeakPolarHBondContact O-CE 3.46Å | ||
| 632 | V | 97.8 | Very high | 88.6 | Confident | 18 Ų | 18 | 31.8 Ų | 31.8 | 11% | 0.109 | 16% | 0.16 | C | C | . | . | trans | -82.2 | 124.6 | 173.1 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | K538 T628 D630 K634 | K538-V632 HydrophobicContact CG-CG1 3.98Å; T628-V632 HydrophobicContact CG2-CB 4.42Å; T628-V632 PolarHBondContact N-O 2.74Å; T628-V632 VanDerWaalsContact OG1-CB 3.31Å; T628-V632 WeakPolarHBondContact OG1-CB 3.27Å; T628-V632 PolarHBondContact OG1-N 3.44Å; T628-V632 VanDerWaalsContact OG1-N 3.12Å; T628-V632 PolarHBondContact OG1-O 3.36Å; D630-V632 HydrophobicContact CB-CG2 4.32Å; D630-V632 PolarHBondContact O-N 3.09Å; D630-V632 VanDerWaalsContact O-N 3.14Å; V632-K634 HydrophobicContact CG1-CG 4.5Å | ||
| 633 | M | 98.3 | Very high | 87.1 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 128.8 | 174.9 | -55 | -61.3 | 122.4 | 0 | 0 | 110 | N539 L565 C599 Q602 V603 V625 V627 N631 | N539-M633 WeakPolarHBondContact CA-O 3.42Å; N539-M633 WeakPolarHBondContact CB-O 3.28Å; N539-M633 PolarHBondContact ND2-O 3.01Å; L565-M633 HydrophobicContact CD1-SD 3.71Å; L565-M633 HydrophobicContact CD2-SD 4.25Å; L565-M633 HydrophobicContact CG-SD 4.49Å; C599-M633 HydrophobicContact CB-CG 4.2Å; C599-M633 HydrophobicContact CB-SD 4.21Å; C599-M633 VanDerWaalsContact SG-CE 3.59Å; Q602-M633 HydrophobicContact CB-CB 3.89Å; Q602-M633 HydrophobicContact CB-CG 3.95Å; V603-M633 HydrophobicContact CG2-CB 3.9Å; V603-M633 HydrophobicContact CG2-CG 4.39Å; V625-M633 HydrophobicContact CG1-CB 4.08Å; V625-M633 HydrophobicContact CG1-SD 4.5Å; V627-M633 HydrophobicContact CB-CE 4.45Å; V627-M633 HydrophobicContact CG1-CE 3.74Å; V627-M633 HydrophobicContact CG2-CE 3.98Å; V627-M633 HydrophobicContact CG2-SD 3.88Å; N631-M633 VanDerWaalsContact O-CE 3.28Å; N631-M633 WeakPolarHBondContact O-CE 3.46Å |
| 634 | K | 97.9 | Very high | 85.4 | Confident | 16 Ų | 16 | 32.8 Ų | 32.8 | 7% | 0.07 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 117.1 | 179.1 | -74.8 | -178 | 171.5 | -75.8 | 0 | 111.5 | K538 I540 I541 E558 V625 L626 T628 V632 | K538-K634 PolarHBondContact O-NZ 2.86Å; I540-K634 PolarHBondContact O-NZ 3.15Å; I541-K634 HydrophobicContact CB-CB 4.49Å; I541-K634 HydrophobicContact CD1-CB 4.18Å; I541-K634 HydrophobicContact CD1-CD 3.8Å; E558-K634 IonicContact OE1-NZ 2.75Å; E558-K634 PolarHBondContact OE1-NZ 3.41Å; E558-K634 WeakPolarHBondContact OE2-CE 3.4Å; E558-K634 IonicContact OE2-NZ 3.26Å; E558-K634 PolarHBondContact OE2-NZ 2.87Å; V625-K634 CarbonylContact C-O 3.6Å; L626-K634 PolarHBondContact N-O 3.12Å; L626-K634 PolarHBondContact O-N 2.95Å; T628-K634 HydrophobicContact CG2-CD 3.72Å; T628-K634 HydrophobicContact CG2-CG 4.38Å; V632-K634 HydrophobicContact CG1-CG 4.5Å |
| 635 | I | 97.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 136.1 | 173.7 | -57.9 | 160.8 | 0 | 0 | 0 | 109.4 | N539 I541 V603 G606 M607 L610 H617 L620 F638 | N539-I635 PolarHBondContact O-N 2.94Å; I541-I635 PolarHBondContact N-O 3.35Å; V603-I635 HydrophobicContact CG1-CD1 4.08Å; V603-I635 HydrophobicContact CG1-CG1 3.98Å; G606-I635 VanDerWaalsContact C-CD1 3.44Å; M607-I635 HydrophobicContact CG-CD1 3.81Å; M607-I635 HydrophobicContact SD-CD1 3.74Å; L610-I635 HydrophobicContact CD1-CD1 4.19Å; L610-I635 HydrophobicContact CD1-CG2 4.27Å; H617-I635 VanDerWaalsContact CD2-CG2 3.44Å; H617-I635 WeakPolarHBondContact CD2-CG2 3.44Å; H617-I635 VanDerWaalsContact NE2-CG2 3.29Å; H617-I635 WeakPolarHBondContact NE2-CG2 3.33Å; L620-I635 HydrophobicContact CD1-CG2 4.39Å; I635-F638 HydrophobicContact CG2-CZ 4.28Å |
| 636 | A | 91.6 | Very high | 81 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 7% | 0.066 | 23% | 0.231 | C | C | . | . | trans | -144.5 | 175.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I541 H617 N624 L626 | I541-A636 HydrophobicContact CB-CB 4.1Å; I541-A636 HydrophobicContact CG2-CB 3.68Å; H617-A636 PolarHBondContact CE1-O 3.04Å; H617-A636 PolarHBondContact NE2-O 3.33Å; N624-A636 PolarHBondContact O-N 3.46Å; N624-A636 VanDerWaalsContact O-O 3.12Å; L626-A636 HydrophobicContact CD1-CB 3.73Å; L626-A636 HydrophobicContact CG-CB 3.86Å | ||
| 637 | D | 82.8 | Confident | 78.9 | Confident | 57 Ų | 57 | 47.6 Ų | 47.6 | 31% | 0.305 | 25% | 0.246 | S | C | . | . | trans | 64.5 | 69.3 | -179.3 | -155.8 | 28.8 | 0 | 0 | 0 | 114.1 | K510 N624 G639 | K510-D637 IonicContact NZ-OD1 3.77Å; K510-D637 PolarHBondContact NZ-OD1 2.63Å; N624-D637 HydrophobicContact CB-CB 4.43Å; D637-G639 PolarHBondContact O-N 3.3Å | ||
| 638 | F | 76.8 | Confident | 75.9 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -81.4 | 8.2 | -178.3 | -67.2 | -77.9 | 0 | 0 | 0 | 114 | E527 M530 M531 I534 I540 I541 L610 H617 I635 L640 A641 | E527-F638 HydrophobicContact CG-CB 3.95Å; E527-F638 PolarHBondContact OE1-N 3.12Å; M530-F638 HydrophobicContact CG-CB 4.46Å; M531-F638 HydrophobicContact CG-CD2 3.84Å; M531-F638 HydrophobicContact CG-CG 4.45Å; M531-F638 HydrophobicContact SD-CD2 4.33Å; I534-F638 HydrophobicContact CD1-CD1 3.71Å; I534-F638 HydrophobicContact CD1-CE1 3.69Å; I534-F638 HydrophobicContact CD1-CG 4.16Å; I534-F638 HydrophobicContact CD1-CZ 4.12Å; I540-F638 HydrophobicContact CG2-CE2 3.85Å; I540-F638 HydrophobicContact CG2-CZ 3.68Å; I541-F638 HydrophobicContact CG2-CE2 4.26Å; L610-F638 HydrophobicContact CD1-CE1 3.91Å; L610-F638 HydrophobicContact CD1-CZ 4.37Å; L610-F638 HydrophobicContact CD2-CE1 3.73Å; L610-F638 HydrophobicContact CD2-CZ 4.21Å; L610-F638 HydrophobicContact CG-CE1 4.49Å; H617-F638 AromaticContact CD2-CD1 3.93Å; H617-F638 AromaticContact CD2-CE1 3.63Å; H617-F638 AromaticContact NE2-CE1 3.96Å; I635-F638 HydrophobicContact CG2-CZ 4.28Å; F638-L640 PolarHBondContact O-N 3.49Å; F638-A641 HydrophobicContact CB-CB 4.15Å; F638-A641 HydrophobicContact CD1-CB 3.9Å; F638-A641 WeakPolarHBondContact O-CB 3.33Å; F638-A641 PolarHBondContact O-N 3.09Å |
| 639 | G | 67.2 | Low | 73.1 | Confident | 13 Ų | 13 | 61.3 Ų | 61.3 | 13% | 0.134 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -58.1 | -24.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D637 | D637-G639 PolarHBondContact O-N 3.3Š|
| 640 | L | 65.3 | Low | 70.5 | Confident | 35 Ų | 35 | 59.1 Ų | 59.1 | 18% | 0.183 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -101.4 | -8.3 | 175.4 | -66.6 | 177.4 | 0 | 0 | 0 | 114.5 | R618 D619 F638 | R618-L640 WeakPolarHBondContact CD-O 3.19Å; R618-L640 PolarHBondContact NH1-O 3.41Å; D619-L640 HydrophobicContact CB-CD1 3.94Å; F638-L640 PolarHBondContact O-N 3.49Å |
| 641 | A | 67.8 | Low | 67.8 | Low | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -71.9 | 153.8 | -174 | 0 | 0 | 0 | 0 | 0 | 112 | M530 I616 F638 | M530-A641 HydrophobicContact SD-CB 3.46Å; M530-A641 WeakPolarHBondContact SD-CB 3.2Å; I616-A641 CarbonylContact O-C 3.38Å; I616-A641 WeakPolarHBondContact O-CA 3.46Å; I616-A641 VanDerWaalsContact O-CB 3.3Å; I616-A641 WeakPolarHBondContact O-CB 3.2Å; F638-A641 HydrophobicContact CB-CB 4.15Å; F638-A641 HydrophobicContact CD1-CB 3.9Å; F638-A641 WeakPolarHBondContact O-CB 3.33Å; F638-A641 PolarHBondContact O-N 3.09Å | ||
| 642 | R | 67.5 | Low | 65 | Low | 56 Ų | 56 | 58.6 Ų | 58.6 | 21% | 0.211 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 154.8 | -177.1 | -66.3 | -61.9 | 178.7 | -102.8 | 11.7 | 112.7 | I616 | I616-R642 PolarHBondContact N-O 2.78Å; I616-R642 PolarHBondContact O-N 3.28Å |
| 643 | D | 63.7 | Low | 62 | Low | 61 Ų | 61 | 63.3 Ų | 63.3 | 33% | 0.326 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 136.4 | 168.1 | -172.4 | -40.2 | 0 | 0 | 0 | 110.2 | K614 H645 N646 | K614-D643 WeakPolarHBondContact O-CA 3.44Å; D643-H645 PolarHBondContact O-N 3.23Å; D643-H645 IonicContact OD1-CD2 3.65Å; D643-H645 IonicContact OD1-CG 3.46Å; D643-H645 PolarHBondContact OD1-N 2.89Å; D643-N646 HydrophobicContact CB-CB 4.3Å; D643-N646 PolarHBondContact O-N 3.37Å |
| 644 | V | 57.9 | Low | 58.8 | Low | 38 Ų | 38 | 66 Ų | 66 | 23% | 0.23 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25.3 | 177 | 175.8 | 0 | 0 | 0 | 0 | 113.3 | K614 I616 N646 I647 H675 | K614-V644 HydrophobicContact CB-CB 4.22Å; K614-V644 HydrophobicContact CB-CG2 4.12Å; K614-V644 WeakPolarHBondContact O-CG2 3.29Å; K614-V644 PolarHBondContact O-N 3.25Å; I616-V644 HydrophobicContact CD1-CG2 3.87Å; I616-V644 HydrophobicContact CG1-CG2 3.71Å; V644-N646 VanDerWaalsContact C-N 3.3Å; V644-I647 VanDerWaalsContact O-CD1 3.3Å; V644-I647 WeakPolarHBondContact O-CD1 3.24Å; V644-I647 WeakPolarHBondContact O-CG1 3.46Å; V644-H675 WeakPolarHBondContact CG2-CE1 3.33Å; V644-H675 VanDerWaalsContact CG2-NE2 3.29Å; V644-H675 WeakPolarHBondContact CG2-NE2 3.44Å |
| 645 | H | 48.7 | Very low | 55.8 | Low | 163 Ų | 163 | 73.7 Ų | 73.7 | 76% | 0.755 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -8.6 | 176.3 | -67.5 | -68.5 | 0 | 0 | 0 | 113.4 | D643 | D643-H645 PolarHBondContact O-N 3.23Å; D643-H645 IonicContact OD1-CD2 3.65Å; D643-H645 IonicContact OD1-CG 3.46Å; D643-H645 PolarHBondContact OD1-N 2.89Å |
| 646 | N | 50.9 | Low | 53.1 | Low | 100 Ų | 100 | 74.8 Ų | 74.8 | 54% | 0.535 | 38% | 0.382 | S | S | . | . | trans | -111.3 | 44.2 | -176.5 | -150.4 | 12.6 | 0 | 0 | 0 | 111.3 | D643 V644 D648 | D643-N646 HydrophobicContact CB-CB 4.3Å; D643-N646 PolarHBondContact O-N 3.37Å; V644-N646 VanDerWaalsContact C-N 3.3Å; N646-D648 PolarHBondContact O-N 3.44Å | ||
| 647 | I | 50.9 | Low | 51.2 | Low | 108 Ų | 108 | 86.1 Ų | 86.1 | 55% | 0.554 | 42% | 0.423 | S | S | * | . | trans | -77.5 | 34.3 | 177.3 | -27.3 | -176.2 | 0 | 0 | 0 | 112.1 | V644 Y649 | V644-I647 VanDerWaalsContact O-CD1 3.3Å; V644-I647 WeakPolarHBondContact O-CD1 3.24Å; V644-I647 WeakPolarHBondContact O-CG1 3.46Å; I647-Y649 VanDerWaalsContact C-N 3.27Å; I647-Y649 PolarHBondContact O-N 2.74Å | ||
| 648 | D | 35.4 | Very low | 50.3 | Low | 141 Ų | 141 | 87.4 Ų | 87.4 | 75% | 0.754 | 43% | 0.43 | S | S | * | . | trans | -68.3 | 90 | 171.3 | -87 | -12.9 | 0 | 0 | 0 | 109.3 | N646 Y650 | N646-D648 PolarHBondContact O-N 3.44Å; D648-Y650 PolarHBondContact O-N 2.87Å | ||
| 649 | Y | 37.3 | Very low | 50.5 | Low | 162 Ų | 162 | 88 Ų | 88 | 64% | 0.635 | 43% | 0.433 | S | S | * | . | trans | 14 | 73.4 | 165.4 | -159.6 | -94.8 | 0 | 0 | 0 | 115.3 | I647 K651 | I647-Y649 VanDerWaalsContact C-N 3.27Å; I647-Y649 PolarHBondContact O-N 2.74Å; Y649-K651 VanDerWaalsContact C-N 3.32Å; Y649-K651 HydrophobicContact CD1-CB 4.4Å; Y649-K651 HydrophobicContact CE1-CB 4.41Å; Y649-K651 HydrophobicContact CE1-CD 4.38Å; Y649-K651 HydrophobicContact CE1-CG 4.27Å; Y649-K651 PolarHBondContact O-N 2.92Å | ||
| 650 | Y | 38 | Very low | 51.3 | Low | 70 Ų | 70 | 88.3 Ų | 88.3 | 28% | 0.275 | 43% | 0.433 | S | S | . | . | trans | -68.1 | 91.5 | 176.4 | -176.6 | -100.4 | 0 | 0 | 0 | 111 | D648 K652 | D648-Y650 PolarHBondContact O-N 2.87Å; Y650-K652 HydrophobicContact CD1-CB 4.24Å; Y650-K652 HydrophobicContact CE1-CB 3.54Å; Y650-K652 HydrophobicContact CE1-CD 4.39Å; Y650-K652 HydrophobicContact CE1-CG 3.79Å; Y650-K652 PolarHBondContact O-N 3.43Å | ||
| 651 | K | 36.5 | Very low | 52.5 | Low | 137 Ų | 137 | 88 Ų | 88 | 60% | 0.596 | 43% | 0.43 | S | S | * | . | trans | -74.7 | 105.8 | 163 | -142.8 | 176.1 | -172.6 | 178.9 | 0 | 106.4 | Y649 T653 | Y649-K651 VanDerWaalsContact C-N 3.32Å; Y649-K651 HydrophobicContact CD1-CB 4.4Å; Y649-K651 HydrophobicContact CE1-CB 4.41Å; Y649-K651 HydrophobicContact CE1-CD 4.38Å; Y649-K651 HydrophobicContact CE1-CG 4.27Å; Y649-K651 PolarHBondContact O-N 2.92Å; K651-T653 PolarHBondContact O-N 2.93Å | ||
| 652 | K | 35.2 | Very low | 53.7 | Low | 45 Ų | 45 | 89.4 Ų | 89.4 | 20% | 0.196 | 44% | 0.435 | C | S | . | . | trans | -62.4 | 103.8 | 173.9 | -165.3 | 170.8 | -171.3 | -179.8 | 0 | 108.6 | Y650 T654 G656 R657 L658 | Y650-K652 HydrophobicContact CD1-CB 4.24Å; Y650-K652 HydrophobicContact CE1-CB 3.54Å; Y650-K652 HydrophobicContact CE1-CD 4.39Å; Y650-K652 HydrophobicContact CE1-CG 3.79Å; Y650-K652 PolarHBondContact O-N 3.43Å; K652-T654 VanDerWaalsContact C-N 3.3Å; K652-T654 PolarHBondContact O-N 2.73Å; K652-G656 VanDerWaalsContact CE-O 3.27Å; K652-G656 WeakPolarHBondContact CE-O 3.41Å; K652-G656 PolarHBondContact NZ-O 2.85Å; K652-R657 PolarHBondContact NZ-O 3.12Å; K652-L658 HydrophobicContact CD-CD2 3.74Å; K652-L658 HydrophobicContact CD-CG 4.2Å | ||
| 653 | T | 34.4 | Very low | 54.7 | Low | 117 Ų | 117 | 87.1 Ų | 87.1 | 72% | 0.718 | 43% | 0.427 | S | S | * | . | trans | -83.7 | 1.7 | -175.9 | 43.9 | 0 | 0 | 0 | 0 | 114.2 | K651 | K651-T653 PolarHBondContact O-N 2.93Š| ||
| 654 | T | 32.7 | Very low | 56 | Low | 58 Ų | 58 | 84.2 Ų | 84.2 | 36% | 0.356 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -126.6 | 152.2 | -179.8 | 50.5 | 0 | 0 | 0 | 0 | 113.4 | K519 K652 G656 | K519-T654 HydrophobicContact CD-CG2 3.49Å; K519-T654 VanDerWaalsContact CD-CG2 3.49Å; K519-T654 PolarHBondContact NZ-OG1 2.92Å; K652-T654 VanDerWaalsContact C-N 3.3Å; K652-T654 PolarHBondContact O-N 2.73Å; T654-G656 PolarHBondContact O-N 3.09Å |
| 655 | N | 34.1 | Very low | 57.5 | Low | 178 Ų | 178 | 83.3 Ų | 83.3 | 95% | 0.952 | 41% | 0.407 | S | S | * | . | trans | -63.9 | 13 | -178.2 | -60.1 | -31.3 | 0 | 0 | 0 | 115.1 | R657 | N655-R657 PolarHBondContact O-N 3.08Š| ||
| 656 | G | 40.3 | Very low | 59.2 | Low | 23 Ų | 23 | 76.3 Ų | 76.3 | 24% | 0.237 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 126.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | K652 T654 L658 | K652-G656 VanDerWaalsContact CE-O 3.27Å; K652-G656 WeakPolarHBondContact CE-O 3.41Å; K652-G656 PolarHBondContact NZ-O 2.85Å; T654-G656 PolarHBondContact O-N 3.09Å; G656-L658 PolarHBondContact O-N 3.4Å |
| 657 | R | 51.4 | Low | 60.8 | Low | 245 Ų | 245 | 71.8 Ų | 71.8 | 93% | 0.925 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -48.2 | 134.6 | 178.8 | -64.3 | 175.9 | 179.2 | 164.6 | 0.2 | 110.9 | K652 N655 | K652-R657 PolarHBondContact NZ-O 3.12Å; N655-R657 PolarHBondContact O-N 3.08Å |
| 658 | L | 64.4 | Low | 62.1 | Low | 85 Ų | 85 | 68 Ų | 68 | 45% | 0.445 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -88 | 147.5 | 169.8 | -77.1 | 171.3 | 0 | 0 | 0 | 109.1 | K652 G656 V660 M663 | K652-L658 HydrophobicContact CD-CD2 3.74Å; K652-L658 HydrophobicContact CD-CG 4.2Å; G656-L658 PolarHBondContact O-N 3.4Å; L658-V660 HydrophobicContact CB-CG2 4.07Å; L658-V660 PolarHBondContact O-N 3.3Å; L658-M663 HydrophobicContact CB-SD 3.99Å; L658-M663 HydrophobicContact CD2-SD 4.43Å |
| 659 | P | 80.5 | Confident | 63.9 | Low | 13 Ų | 13 | 64.4 Ų | 64.4 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | trans | -78.7 | 54.1 | 179.7 | 36.4 | -38.9 | 0 | 0 | 0 | 111.1 | D619 K661 W662 M663 | D619-P659 HydrophobicContact CB-CG 4.4Å; D619-P659 WeakPolarHBondContact OD1-CB 3.47Å; D619-P659 WeakPolarHBondContact OD1-CG 3.43Å; P659-K661 PolarHBondContact O-N 3.35Å; P659-W662 HydrophobicContact CB-CE3 4.23Å; P659-W662 PolarHBondContact O-N 3.34Å; P659-M663 HydrophobicContact CG-CG 4.07Å; P659-M663 HydrophobicContact CG-SD 4.37Å; P659-M663 PolarHBondContact O-N 2.9Å | ||
| 660 | V | 83.6 | Confident | 65.6 | Low | 20 Ų | 20 | 61.9 Ų | 61.9 | 12% | 0.121 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -50.4 | -38.3 | -165 | 175.7 | 0 | 0 | 0 | 0 | 113.6 | L658 W662 M663 L668 V702 F706 | L658-V660 HydrophobicContact CB-CG2 4.07Å; L658-V660 PolarHBondContact O-N 3.3Å; V660-W662 PolarHBondContact O-N 3.06Å; V660-M663 PolarHBondContact O-N 2.73Å; V660-L668 HydrophobicContact CB-CD2 4.39Å; V660-L668 HydrophobicContact CG1-CD2 3.78Å; V660-L668 HydrophobicContact CG2-CD2 4.39Å; V660-V702 HydrophobicContact CB-CG1 3.65Å; V660-V702 HydrophobicContact CG1-CG1 3.55Å; V660-V702 HydrophobicContact CG2-CG1 3.93Å; V660-F706 HydrophobicContact CG1-CE1 4.19Å; V660-F706 HydrophobicContact CG1-CE2 4.17Å; V660-F706 HydrophobicContact CG1-CZ 3.77Å; V660-F706 HydrophobicContact CG2-CZ 4.37Å |
| 661 | K | 90.4 | Very high | 67.3 | Low | 29 Ų | 29 | 65 Ų | 65 | 13% | 0.126 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -67 | -15.7 | 179 | -61.5 | -157.8 | 164.8 | -167.2 | 0 | 115.2 | P659 P696 Y697 I700 V702 L705 | P659-K661 PolarHBondContact O-N 3.35Å; K661-P696 HydrophobicContact CB-CB 4.27Å; K661-P696 WeakPolarHBondContact CD-O 3.3Å; K661-P696 PolarHBondContact NZ-O 3.02Å; K661-Y697 HydrophobicContact CB-CD2 4.21Å; K661-Y697 HydrophobicContact CD-CD2 4.41Å; K661-Y697 HydrophobicContact CG-CD2 4.49Å; K661-Y697 PolarHBondContact NZ-O 3.34Å; K661-Y697 WeakPolarHBondContact O-CE2 3.43Å; K661-I700 WeakPolarHBondContact CE-O 3.44Å; K661-I700 PolarHBondContact NZ-O 3.32Å; K661-V702 HydrophobicContact CG-CG2 4.36Å; K661-L705 HydrophobicContact CB-CD2 4.3Å; K661-L705 HydrophobicContact CG-CD2 3.83Å |
| 662 | W | 94.3 | Very high | 69.2 | Low | 28 Ų | 28 | 61.9 Ų | 61.9 | 11% | 0.106 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -103.4 | -14.4 | 175.6 | -68.2 | -101.6 | 0 | 0 | 0 | 112.7 | L620 A621 P659 V660 W680 S681 V684 E688 P696 | L620-W662 VanDerWaalsContact O-CD1 3.29Å; A621-W662 HydrophobicContact CB-CD2 4.16Å; A621-W662 HydrophobicContact CB-CG 4.12Å; A621-W662 HydrophobicContact CB-CZ2 4.35Å; A621-W662 VanDerWaalsContact CB-NE1 3.33Å; P659-W662 HydrophobicContact CB-CE3 4.23Å; P659-W662 PolarHBondContact O-N 3.34Å; V660-W662 PolarHBondContact O-N 3.06Å; W662-W680 VanDerWaalsContact O-CD1 3.3Å; W662-S681 WeakPolarHBondContact O-CA 3.48Å; W662-S681 PolarHBondContact O-OG 2.92Å; W662-V684 VanDerWaalsContact CD1-CG1 3.41Å; W662-V684 HydrophobicContact CD2-CG1 4.35Å; W662-V684 HydrophobicContact CG-CB 4.43Å; W662-V684 HydrophobicContact CG-CG1 3.91Å; W662-E688 WeakPolarHBondContact CZ2-OE1 3.49Å; W662-E688 PolarHBondContact NE1-OE2 3.42Å; W662-P696 HydrophobicContact CH2-CG 4.25Å; W662-P696 HydrophobicContact CZ2-CG 3.67Å |
| 663 | M | 88.8 | Confident | 71.4 | Confident | 8 Ų | 8 | 61.3 Ų | 61.3 | 4% | 0.039 | 31% | 0.307 | C | S | . | . | trans | -76.7 | 141 | -174.2 | -67.1 | 176.4 | 57.2 | 0 | 0 | 112.4 | L658 P659 V660 A667 L668 Y673 W680 | L658-M663 HydrophobicContact CB-SD 3.99Å; L658-M663 HydrophobicContact CD2-SD 4.43Å; P659-M663 HydrophobicContact CG-CG 4.07Å; P659-M663 HydrophobicContact CG-SD 4.37Å; P659-M663 PolarHBondContact O-N 2.9Å; V660-M663 PolarHBondContact O-N 2.73Å; M663-A667 HydrophobicContact CE-CB 4.26Å; M663-A667 WeakPolarHBondContact CE-O 3.36Å; M663-L668 HydrophobicContact CB-CD1 4.07Å; M663-L668 HydrophobicContact CB-CD2 3.75Å; M663-L668 HydrophobicContact CB-CG 3.62Å; M663-L668 HydrophobicContact CE-CD2 3.61Å; M663-L668 HydrophobicContact CE-CG 4.03Å; M663-L668 HydrophobicContact CG-CD2 4.36Å; M663-L668 WeakPolarHBondContact O-CD1 3.32Å; M663-L668 HydrophobicContact SD-CD2 3.78Å; M663-Y673 WeakPolarHBondContact CE-OH 3.09Å; M663-W680 PolarHBondContact O-NE1 3.14Å; M663-W680 VanDerWaalsContact O-NE1 3.1Å | ||
| 664 | A | 91.1 | Very high | 73.9 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | trans | -69.7 | 154.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | E666 A667 L668 W680 | A664-E666 VanDerWaalsContact C-N 3.35Å; A664-E666 VanDerWaalsContact CB-CD 3.49Å; A664-E666 WeakPolarHBondContact CB-OE1 3.2Å; A664-E666 WeakPolarHBondContact CB-OE2 3.48Å; A664-E666 PolarHBondContact O-N 3.41Å; A664-A667 HydrophobicContact CB-CB 4.31Å; A664-A667 WeakPolarHBondContact O-CB 3.49Å; A664-A667 PolarHBondContact O-N 3.06Å; A664-L668 WeakPolarHBondContact O-CG 3.4Å; A664-L668 PolarHBondContact O-N 2.79Å; A664-W680 HydrophobicContact CB-CB 3.7Å; A664-W680 HydrophobicContact CB-CD2 4.15Å; A664-W680 HydrophobicContact CB-CG 3.71Å | ||
| 665 | P | 88.4 | Confident | 76.7 | Confident | 19 Ų | 19 | 57.4 Ų | 57.4 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -53.3 | -46.1 | 178.1 | -28.7 | 36.4 | 0 | 0 | 0 | 113.6 | A667 L668 F669 W680 | P665-A667 VanDerWaalsContact C-N 3.27Å; P665-A667 PolarHBondContact O-N 3.1Å; P665-L668 PolarHBondContact O-N 3.15Å; P665-L668 VanDerWaalsContact O-N 3.15Å; P665-F669 HydrophobicContact CB-CD2 4.07Å; P665-F669 HydrophobicContact CB-CE2 4.01Å; P665-F669 WeakPolarHBondContact O-CB 3.45Å; P665-F669 WeakPolarHBondContact O-CD2 3.5Å; P665-F669 PolarHBondContact O-N 3.26Å; P665-W680 VanDerWaalsContact CD-CE3 3.44Å; P665-W680 HydrophobicContact CG-CE3 4.17Å; P665-W680 HydrophobicContact CG-CH2 3.54Å; P665-W680 HydrophobicContact CG-CZ2 4.09Å; P665-W680 HydrophobicContact CG-CZ3 3.57Å |
| 666 | E | 85.2 | Confident | 79.6 | Confident | 16 Ų | 16 | 50.6 Ų | 50.6 | 8% | 0.075 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67 | -27.9 | 179.2 | 73 | -73.6 | 176.9 | 0 | 0 | 112.8 | A664 D670 R671 V672 S677 P737 R740 | A664-E666 VanDerWaalsContact C-N 3.35Å; A664-E666 VanDerWaalsContact CB-CD 3.49Å; A664-E666 WeakPolarHBondContact CB-OE1 3.2Å; A664-E666 WeakPolarHBondContact CB-OE2 3.48Å; A664-E666 PolarHBondContact O-N 3.41Å; E666-D670 CarbonylContact O-C 3.48Å; E666-D670 WeakPolarHBondContact O-CA 3.08Å; E666-D670 WeakPolarHBondContact O-CB 3.39Å; E666-D670 PolarHBondContact O-N 3.17Å; E666-D670 VanDerWaalsContact O-N 3.12Å; E666-R671 PolarHBondContact O-N 2.94Å; E666-V672 CarbonylContact C-O 3.51Å; E666-V672 HydrophobicContact CB-CB 4.45Å; E666-V672 HydrophobicContact CG-CB 4.4Å; E666-V672 PolarHBondContact O-N 3.2Å; E666-S677 WeakPolarHBondContact OE1-CA 3.48Å; E666-S677 VanDerWaalsContact OE1-CB 3.3Å; E666-S677 WeakPolarHBondContact OE1-CB 3.48Å; E666-S677 PolarHBondContact OE1-OG 3.33Å; E666-P737 HydrophobicContact CG-CG 4.01Å; E666-R740 IonicContact OE1-CZ 2.77Å; E666-R740 IonicContact OE1-NH1 3.32Å; E666-R740 PolarHBondContact OE1-NH1 3.32Å; E666-R740 IonicContact OE1-NH2 3.15Å; E666-R740 IonicContact OE2-CZ 2.72Å; E666-R740 IonicContact OE2-NH1 3.49Å; E666-R740 PolarHBondContact OE2-NH1 3.22Å; E666-R740 IonicContact OE2-NH2 2.75Å; E666-R740 PolarHBondContact OE2-NH2 3.5Å |
| 667 | A | 84.2 | Confident | 82.2 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 3% | 0.033 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -78 | -29.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | M663 A664 P665 V672 Y673 | M663-A667 HydrophobicContact CE-CB 4.26Å; M663-A667 WeakPolarHBondContact CE-O 3.36Å; A664-A667 HydrophobicContact CB-CB 4.31Å; A664-A667 WeakPolarHBondContact O-CB 3.49Å; A664-A667 PolarHBondContact O-N 3.06Å; P665-A667 VanDerWaalsContact C-N 3.27Å; P665-A667 PolarHBondContact O-N 3.1Å; A667-V672 WeakPolarHBondContact CA-O 3.22Å; A667-V672 WeakPolarHBondContact CB-O 3.44Å; A667-V672 PolarHBondContact N-O 3.32Å; A667-Y673 HydrophobicContact CB-CD1 3.94Å; A667-Y673 HydrophobicContact CB-CE1 3.69Å; A667-Y673 HydrophobicContact CB-CE2 4.32Å; A667-Y673 HydrophobicContact CB-CG 4.39Å |
| 668 | L | 77.4 | Confident | 84.3 | Confident | 28 Ų | 28 | 38 Ų | 38 | 15% | 0.147 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -80.2 | -47.1 | 177.2 | -75 | 167 | 0 | 0 | 0 | 112.8 | V660 M663 A664 P665 F706 L709 | V660-L668 HydrophobicContact CB-CD2 4.39Å; V660-L668 HydrophobicContact CG1-CD2 3.78Å; V660-L668 HydrophobicContact CG2-CD2 4.39Å; M663-L668 HydrophobicContact CB-CD1 4.07Å; M663-L668 HydrophobicContact CB-CD2 3.75Å; M663-L668 HydrophobicContact CB-CG 3.62Å; M663-L668 HydrophobicContact CE-CD2 3.61Å; M663-L668 HydrophobicContact CE-CG 4.03Å; M663-L668 HydrophobicContact CG-CD2 4.36Å; M663-L668 WeakPolarHBondContact O-CD1 3.32Å; M663-L668 HydrophobicContact SD-CD2 3.78Å; A664-L668 WeakPolarHBondContact O-CG 3.4Å; A664-L668 PolarHBondContact O-N 2.79Å; P665-L668 PolarHBondContact O-N 3.15Å; P665-L668 VanDerWaalsContact O-N 3.15Å; L668-F706 HydrophobicContact CD2-CE1 3.84Å; L668-F706 HydrophobicContact CD2-CZ 4.47Å; L668-L709 HydrophobicContact CD1-CD1 3.98Å |
| 669 | F | 74.4 | Confident | 86 | Confident | 66 Ų | 66 | 34 Ų | 34 | 29% | 0.289 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -92.3 | -50 | -172.1 | -56.2 | -53.4 | 0 | 0 | 0 | 111.9 | P665 F706 K710 | P665-F669 HydrophobicContact CB-CD2 4.07Å; P665-F669 HydrophobicContact CB-CE2 4.01Å; P665-F669 WeakPolarHBondContact O-CB 3.45Å; P665-F669 WeakPolarHBondContact O-CD2 3.5Å; P665-F669 PolarHBondContact O-N 3.26Å; F669-F706 HydrophobicContact CE1-CB 4.39Å; F669-F706 AromaticContact CE1-CD1 3.87Å; F669-F706 HydrophobicContact CE1-CD1 3.87Å; F669-F706 HydrophobicContact CZ-CD1 4.43Å; F669-K710 HydrophobicContact CE1-CD 4.34Å; F669-K710 VanDerWaalsContact CE1-CE 3.4Å; F669-K710 HydrophobicContact CE1-CG 4.35Å; F669-K710 HydrophobicContact CE2-CG 3.82Å; F669-K710 HydrophobicContact CZ-CD 4.14Å; F669-K710 HydrophobicContact CZ-CG 3.65Å |
| 670 | D | 71.9 | Confident | 86.8 | Confident | 110 Ų | 110 | 33.4 Ų | 33.4 | 59% | 0.588 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -7.5 | -171.1 | -45.3 | -51.9 | 0 | 0 | 0 | 112.5 | E666 V672 | E666-D670 CarbonylContact O-C 3.48Å; E666-D670 WeakPolarHBondContact O-CA 3.08Å; E666-D670 WeakPolarHBondContact O-CB 3.39Å; E666-D670 PolarHBondContact O-N 3.17Å; E666-D670 VanDerWaalsContact O-N 3.12Å; D670-V672 HydrophobicContact CB-CG2 3.98Å; D670-V672 PolarHBondContact O-N 2.99Å |
| 671 | R | 73.2 | Confident | 87.5 | Confident | 134 Ų | 134 | 32.7 Ų | 32.7 | 51% | 0.506 | 16% | 0.159 | S | C | . | . | trans | 60.1 | 21.3 | -175 | -52.7 | -178.1 | 177.3 | -145.6 | -4.8 | 113.9 | E666 Y673 | E666-R671 PolarHBondContact O-N 2.94Å; R671-Y673 WeakPolarHBondContact O-CD2 3.46Å | ||
| 672 | V | 76.3 | Confident | 87.9 | Confident | 72 Ų | 72 | 31.3 Ų | 31.3 | 44% | 0.436 | 15% | 0.153 | S | C | . | . | trans | -84.6 | 129.3 | 177.8 | 178.7 | 0 | 0 | 0 | 0 | 109 | E666 A667 D670 T674 | E666-V672 CarbonylContact C-O 3.51Å; E666-V672 HydrophobicContact CB-CB 4.45Å; E666-V672 HydrophobicContact CG-CB 4.4Å; E666-V672 PolarHBondContact O-N 3.2Å; A667-V672 WeakPolarHBondContact CA-O 3.22Å; A667-V672 WeakPolarHBondContact CB-O 3.44Å; A667-V672 PolarHBondContact N-O 3.32Å; D670-V672 HydrophobicContact CB-CG2 3.98Å; D670-V672 PolarHBondContact O-N 2.99Å; V672-T674 HydrophobicContact CG1-CG2 4.11Å | ||
| 673 | Y | 82.1 | Confident | 88.1 | Confident | 33 Ų | 33 | 30 Ų | 30 | 13% | 0.129 | 15% | 0.148 | C | C | . | . | trans | -121.3 | 129.8 | 175.8 | -69.2 | -97.4 | 0 | 0 | 0 | 109.4 | R618 M663 A667 R671 | R618-Y673 HydrophobicContact CB-CD1 4.13Å; R618-Y673 HydrophobicContact CB-CE1 4.23Å; R618-Y673 HydrophobicContact CG-CD1 3.74Å; R618-Y673 HydrophobicContact CG-CE1 4.31Å; R618-Y673 HydrophobicContact CG-CG 4.36Å; R618-Y673 VanDerWaalsContact NE-CG 3.33Å; R618-Y673 VanDerWaalsContact NH2-CD2 3.34Å; M663-Y673 WeakPolarHBondContact CE-OH 3.09Å; A667-Y673 HydrophobicContact CB-CD1 3.94Å; A667-Y673 HydrophobicContact CB-CE1 3.69Å; A667-Y673 HydrophobicContact CB-CE2 4.32Å; A667-Y673 HydrophobicContact CB-CG 4.39Å; R671-Y673 WeakPolarHBondContact O-CD2 3.46Å | ||
| 674 | T | 87.8 | Confident | 88.6 | Confident | 49 Ų | 49 | 29.6 Ų | 29.6 | 30% | 0.301 | 15% | 0.146 | S | C | . | . | trans | -141 | 172.3 | 177.5 | 65 | 0 | 0 | 0 | 0 | 109.6 | V672 Q676 S677 D678 | V672-T674 HydrophobicContact CG1-CG2 4.11Å; T674-Q676 PolarHBondContact O-N 3.39Å; T674-Q676 PolarHBondContact OG1-N 3.15Å; T674-S677 PolarHBondContact N-OG 3.16Å; T674-S677 WeakPolarHBondContact O-CA 3.26Å; T674-S677 VanDerWaalsContact O-CB 3.24Å; T674-S677 WeakPolarHBondContact O-CB 3.45Å; T674-S677 PolarHBondContact O-N 2.75Å; T674-S677 PolarHBondContact O-OG 3.06Å; T674-S677 PolarHBondContact OG1-N 2.97Å; T674-S677 PolarHBondContact OG1-OG 3.2Å; T674-D678 PolarHBondContact O-N 3.09Å | ||
| 675 | H | 91 | Very high | 88.9 | Confident | 45 Ų | 45 | 29.6 Ų | 29.6 | 21% | 0.208 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -55.2 | -33.2 | 168 | -56.7 | -53.3 | 0 | 0 | 0 | 112.5 | C615 V644 S677 D678 V679 | C615-H675 PolarHBondContact O-CE1 2.96Å; C615-H675 VanDerWaalsContact O-CE1 3.25Å; C615-H675 PolarHBondContact O-ND1 3.15Å; V644-H675 WeakPolarHBondContact CG2-CE1 3.33Å; V644-H675 VanDerWaalsContact CG2-NE2 3.29Å; V644-H675 WeakPolarHBondContact CG2-NE2 3.44Å; H675-S677 PolarHBondContact O-N 3.11Å; H675-D678 WeakPolarHBondContact O-CB 3.44Å; H675-D678 PolarHBondContact O-N 3.5Å; H675-D678 VanDerWaalsContact O-N 3.12Å; H675-V679 WeakPolarHBondContact O-CG2 3.42Å; H675-V679 PolarHBondContact O-N 3.24Å |
| 676 | Q | 95.8 | Very high | 89.4 | Confident | 35 Ų | 35 | 28.7 Ų | 28.7 | 16% | 0.164 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.8 | -21.7 | 176.4 | -56.2 | -56.6 | 99.9 | 0 | 0 | 112.7 | T674 W680 P737 R740 | T674-Q676 PolarHBondContact O-N 3.39Å; T674-Q676 PolarHBondContact OG1-N 3.15Å; Q676-W680 PolarHBondContact O-N 2.93Å; Q676-P737 HydrophobicContact CB-CB 3.76Å; Q676-P737 WeakPolarHBondContact CB-O 3.43Å; Q676-P737 HydrophobicContact CG-CB 4.44Å; Q676-P737 WeakPolarHBondContact CG-O 3.27Å; Q676-P737 PolarHBondContact NE2-O 3.06Å; Q676-R740 PolarHBondContact NE2-O 3.17Å; Q676-R740 WeakPolarHBondContact O-CD 3.49Å; Q676-R740 PolarHBondContact O-NH1 3.42Å |
| 677 | S | 93.8 | Very high | 90 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.014 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -76 | -34.1 | 172 | -44.6 | 0 | 0 | 0 | 0 | 111.4 | E666 T674 H675 S681 | E666-S677 WeakPolarHBondContact OE1-CA 3.48Å; E666-S677 VanDerWaalsContact OE1-CB 3.3Å; E666-S677 WeakPolarHBondContact OE1-CB 3.48Å; E666-S677 PolarHBondContact OE1-OG 3.33Å; T674-S677 PolarHBondContact N-OG 3.16Å; T674-S677 WeakPolarHBondContact O-CA 3.26Å; T674-S677 VanDerWaalsContact O-CB 3.24Å; T674-S677 WeakPolarHBondContact O-CB 3.45Å; T674-S677 PolarHBondContact O-N 2.75Å; T674-S677 PolarHBondContact O-OG 3.06Å; T674-S677 PolarHBondContact OG1-N 2.97Å; T674-S677 PolarHBondContact OG1-OG 3.2Å; H675-S677 PolarHBondContact O-N 3.11Å; S677-S681 PolarHBondContact O-N 2.91Å; S677-S681 PolarHBondContact O-OG 3.09Å; S677-S681 VanDerWaalsContact O-OG 3.08Å |
| 678 | D | 96.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.7 | -34.3 | 168.5 | -73.8 | -23.2 | 0 | 0 | 0 | 111.8 | M607 I616 H617 R618 T674 H675 W680 S681 Y682 F743 | M607-D678 HydrophobicContact CE-CB 3.71Å; I616-D678 VanDerWaalsContact CA-OD2 3.28Å; I616-D678 WeakPolarHBondContact CA-OD2 3.48Å; I616-D678 WeakPolarHBondContact CG2-OD2 3.26Å; H617-D678 PolarHBondContact N-OD1 3.49Å; H617-D678 PolarHBondContact N-OD2 3.35Å; R618-D678 PolarHBondContact N-OD1 2.99Å; T674-D678 PolarHBondContact O-N 3.09Å; H675-D678 WeakPolarHBondContact O-CB 3.44Å; H675-D678 PolarHBondContact O-N 3.5Å; H675-D678 VanDerWaalsContact O-N 3.12Å; D678-W680 VanDerWaalsContact C-N 3.3Å; D678-W680 PolarHBondContact O-N 3.42Å; D678-S681 CarbonylContact O-C 3.56Å; D678-S681 WeakPolarHBondContact O-CA 3.49Å; D678-S681 WeakPolarHBondContact O-CB 3.41Å; D678-S681 PolarHBondContact O-N 2.97Å; D678-S681 VanDerWaalsContact O-N 3.09Å; D678-Y682 WeakPolarHBondContact O-CB 3.45Å; D678-Y682 PolarHBondContact O-N 2.99Å; D678-F743 HydrophobicContact CB-CE2 3.9Å; D678-F743 HydrophobicContact CB-CZ 3.98Å |
| 679 | V | 98.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.1 | -41 | 173.5 | 168.5 | 0 | 0 | 0 | 0 | 111.5 | H675 S681 Y682 G683 C732 R740 P741 F743 L746 | H675-V679 WeakPolarHBondContact O-CG2 3.42Å; H675-V679 PolarHBondContact O-N 3.24Å; V679-S681 VanDerWaalsContact C-N 3.35Å; V679-S681 PolarHBondContact O-N 2.77Å; V679-Y682 WeakPolarHBondContact O-CB 3.33Å; V679-Y682 PolarHBondContact O-N 3.36Å; V679-G683 PolarHBondContact O-N 3Å; V679-C732 HydrophobicContact CG1-CB 4.09Å; V679-R740 HydrophobicContact CG1-CB 3.89Å; V679-P741 HydrophobicContact CG1-CG 4.41Å; V679-P741 WeakPolarHBondContact CG1-O 3.25Å; V679-P741 WeakPolarHBondContact CG2-O 3.42Å; V679-F743 HydrophobicContact CB-CZ 4.39Å; V679-F743 HydrophobicContact CG2-CD1 4.43Å; V679-F743 HydrophobicContact CG2-CD2 3.91Å; V679-F743 HydrophobicContact CG2-CE1 4.18Å; V679-F743 HydrophobicContact CG2-CE2 3.63Å; V679-F743 HydrophobicContact CG2-CG 4.3Å; V679-F743 HydrophobicContact CG2-CZ 3.77Å; V679-L746 HydrophobicContact CG1-CD1 4.23Å |
| 680 | W | 98.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 0% | 0.004 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.1 | -46.1 | 172.4 | 174.9 | -73.2 | 0 | 0 | 0 | 111.6 | W662 M663 A664 P665 Q676 D678 Y682 G683 V684 L709 C732 W733 | W662-W680 VanDerWaalsContact O-CD1 3.3Å; M663-W680 PolarHBondContact O-NE1 3.14Å; M663-W680 VanDerWaalsContact O-NE1 3.1Å; A664-W680 HydrophobicContact CB-CB 3.7Å; A664-W680 HydrophobicContact CB-CD2 4.15Å; A664-W680 HydrophobicContact CB-CG 3.71Å; P665-W680 VanDerWaalsContact CD-CE3 3.44Å; P665-W680 HydrophobicContact CG-CE3 4.17Å; P665-W680 HydrophobicContact CG-CH2 3.54Å; P665-W680 HydrophobicContact CG-CZ2 4.09Å; P665-W680 HydrophobicContact CG-CZ3 3.57Å; Q676-W680 PolarHBondContact O-N 2.93Å; D678-W680 VanDerWaalsContact C-N 3.3Å; D678-W680 PolarHBondContact O-N 3.42Å; W680-Y682 PolarHBondContact O-N 3.19Å; W680-G683 PolarHBondContact O-N 2.9Å; W680-G683 VanDerWaalsContact O-N 3.12Å; W680-V684 PolarHBondContact O-N 3.37Å; W680-V684 VanDerWaalsContact O-N 3.12Å; W680-L709 HydrophobicContact CH2-CD2 4.06Å; W680-L709 HydrophobicContact CZ2-CD2 3.81Å; W680-C732 WeakPolarHBondContact CA-O 3.33Å; W680-W733 HydrophobicContact CD2-CB 4.49Å; W680-W733 AromaticContact CD2-CD1 3.82Å; W680-W733 AromaticContact CE2-CD1 3.94Å; W680-W733 VanDerWaalsContact CE3-CA 3.5Å; W680-W733 HydrophobicContact CE3-CB 4.04Å; W680-W733 HydrophobicContact CH2-CB 4.14Å; W680-W733 HydrophobicContact CZ3-CB 3.85Å; W680-W733 WeakPolarHBondContact CZ3-O 3.23Å; W680-W733 PolarHBondContact O-NE1 3.4Å |
| 681 | S | 98.1 | Very high | 93.7 | Very high | 6 Ų | 6 | 20.6 Ų | 20.6 | 4% | 0.042 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.1 | -36.4 | 177.2 | -50.7 | 0 | 0 | 0 | 0 | 111.2 | W662 S677 D678 V679 V684 L685 | W662-S681 WeakPolarHBondContact O-CA 3.48Å; W662-S681 PolarHBondContact O-OG 2.92Å; S677-S681 PolarHBondContact O-N 2.91Å; S677-S681 PolarHBondContact O-OG 3.09Å; S677-S681 VanDerWaalsContact O-OG 3.08Å; D678-S681 CarbonylContact O-C 3.56Å; D678-S681 WeakPolarHBondContact O-CA 3.49Å; D678-S681 WeakPolarHBondContact O-CB 3.41Å; D678-S681 PolarHBondContact O-N 2.97Å; D678-S681 VanDerWaalsContact O-N 3.09Å; V679-S681 VanDerWaalsContact C-N 3.35Å; V679-S681 PolarHBondContact O-N 2.77Å; S681-V684 WeakPolarHBondContact O-CB 3.4Å; S681-V684 PolarHBondContact O-N 3.2Å; S681-L685 PolarHBondContact O-N 3.23Å |
| 682 | Y | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.8 | -40.1 | 173.5 | -178.7 | -99.2 | 0 | 0 | 0 | 112.4 | A600 V603 A604 L620 D678 V679 W680 V684 L685 L686 F743 L746 L750 | A600-Y682 VanDerWaalsContact C-OH 3.28Å; A600-Y682 PolarHBondContact O-OH 3.12Å; V603-Y682 HydrophobicContact CB-CE2 4.18Å; V603-Y682 HydrophobicContact CG1-CD2 4.25Å; V603-Y682 HydrophobicContact CG1-CE2 4.05Å; A604-Y682 HydrophobicContact CB-CE2 4.23Å; L620-Y682 HydrophobicContact CD2-CD2 4.13Å; L620-Y682 HydrophobicContact CD2-CG 4.49Å; D678-Y682 WeakPolarHBondContact O-CB 3.45Å; D678-Y682 PolarHBondContact O-N 2.99Å; V679-Y682 WeakPolarHBondContact O-CB 3.33Å; V679-Y682 PolarHBondContact O-N 3.36Å; W680-Y682 PolarHBondContact O-N 3.19Å; Y682-V684 VanDerWaalsContact C-N 3.26Å; Y682-V684 PolarHBondContact O-N 3.07Å; Y682-L685 HydrophobicContact CD2-CD2 4.17Å; Y682-L685 HydrophobicContact CE2-CD2 4.43Å; Y682-L685 CarbonylContact O-C 3.54Å; Y682-L685 WeakPolarHBondContact O-CA 3.38Å; Y682-L685 WeakPolarHBondContact O-CB 3.34Å; Y682-L685 PolarHBondContact O-N 2.79Å; Y682-L685 VanDerWaalsContact O-N 3.11Å; Y682-L686 HydrophobicContact CD1-CD1 4.11Å; Y682-L686 HydrophobicContact CD1-CG 4.11Å; Y682-L686 HydrophobicContact CE1-CD1 3.67Å; Y682-L686 HydrophobicContact CE1-CD2 3.87Å; Y682-L686 HydrophobicContact CE1-CG 3.66Å; Y682-L686 WeakPolarHBondContact O-CG 3.49Å; Y682-L686 PolarHBondContact O-N 3.2Å; Y682-L686 WeakPolarHBondContact OH-CD2 3.36Å; Y682-F743 HydrophobicContact CD1-CE1 4.25Å; Y682-F743 HydrophobicContact CD2-CE1 4.1Å; Y682-F743 AromaticContact CG-CE1 3.74Å; Y682-F743 HydrophobicContact CG-CE1 3.74Å; Y682-L746 HydrophobicContact CD1-CD1 3.68Å; Y682-L746 HydrophobicContact CE1-CD1 3.94Å; Y682-L746 HydrophobicContact CE1-CD2 4.35Å; Y682-L750 HydrophobicContact CE1-CD1 4.47Å; Y682-L750 WeakPolarHBondContact OH-CD1 3.42Å |
| 683 | G | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -57.7 | -39.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V679 W680 L686 W687 W733 | V679-G683 PolarHBondContact O-N 3Å; W680-G683 PolarHBondContact O-N 2.9Å; W680-G683 VanDerWaalsContact O-N 3.12Å; G683-L686 PolarHBondContact O-N 3.24Å; G683-W687 PolarHBondContact O-N 3.35Å; G683-W733 VanDerWaalsContact C-NE1 3.3Å; G683-W733 WeakPolarHBondContact O-CZ2 3.29Å |
| 684 | V | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -67.5 | -40.7 | 173.6 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | W662 W680 S681 Y682 W687 E688 P696 M715 W733 | W662-V684 VanDerWaalsContact CD1-CG1 3.41Å; W662-V684 HydrophobicContact CD2-CG1 4.35Å; W662-V684 HydrophobicContact CG-CB 4.43Å; W662-V684 HydrophobicContact CG-CG1 3.91Å; W680-V684 PolarHBondContact O-N 3.37Å; W680-V684 VanDerWaalsContact O-N 3.12Å; S681-V684 WeakPolarHBondContact O-CB 3.4Å; S681-V684 PolarHBondContact O-N 3.2Å; Y682-V684 VanDerWaalsContact C-N 3.26Å; Y682-V684 PolarHBondContact O-N 3.07Å; V684-W687 WeakPolarHBondContact O-CB 3.44Å; V684-W687 PolarHBondContact O-N 3.45Å; V684-E688 PolarHBondContact O-N 3.18Å; V684-P696 HydrophobicContact CG1-CB 3.77Å; V684-P696 HydrophobicContact CG1-CG 3.44Å; V684-P696 VanDerWaalsContact CG1-CG 3.44Å; V684-M715 HydrophobicContact CG1-CE 4.27Å; V684-M715 HydrophobicContact CG2-CE 4.27Å; V684-W733 HydrophobicContact CG2-CZ2 4.43Å |
| 685 | L | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -61.8 | -40.9 | 173.8 | 172.4 | 64.3 | 0 | 0 | 0 | 112.5 | L565 V603 L620 A622 V625 S681 Y682 W687 E688 I689 | L565-L685 HydrophobicContact CD2-CD1 4.4Å; V603-L685 HydrophobicContact CB-CD2 4.25Å; V603-L685 HydrophobicContact CG1-CD2 3.57Å; V603-L685 HydrophobicContact CG2-CD2 4.43Å; L620-L685 HydrophobicContact CD1-CD2 4.17Å; L620-L685 HydrophobicContact CD2-CD2 4.49Å; L620-L685 HydrophobicContact CG-CD2 4.19Å; A622-L685 HydrophobicContact CB-CD1 3.74Å; V625-L685 HydrophobicContact CG2-CD2 4.27Å; S681-L685 PolarHBondContact O-N 3.23Å; Y682-L685 HydrophobicContact CD2-CD2 4.17Å; Y682-L685 HydrophobicContact CE2-CD2 4.43Å; Y682-L685 CarbonylContact O-C 3.54Å; Y682-L685 WeakPolarHBondContact O-CA 3.38Å; Y682-L685 WeakPolarHBondContact O-CB 3.34Å; Y682-L685 PolarHBondContact O-N 2.79Å; Y682-L685 VanDerWaalsContact O-N 3.11Å; L685-W687 VanDerWaalsContact C-N 3.29Å; L685-W687 PolarHBondContact O-N 2.91Å; L685-E688 WeakPolarHBondContact O-CB 3.3Å; L685-E688 PolarHBondContact O-N 3.45Å; L685-E688 VanDerWaalsContact O-N 3.14Å; L685-I689 HydrophobicContact CD1-CD1 4.17Å; L685-I689 HydrophobicContact CD1-CG1 4.22Å; L685-I689 HydrophobicContact CG-CD1 4Å; L685-I689 HydrophobicContact CG-CG1 4.48Å; L685-I689 WeakPolarHBondContact O-CG1 2.95Å; L685-I689 PolarHBondContact O-N 2.97Å |
| 686 | L | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -56.3 | -46.4 | 172.7 | -73.7 | 179.8 | 0 | 0 | 0 | 110.4 | A600 Y682 G683 E688 I689 F690 I728 M729 | A600-L686 HydrophobicContact CB-CD2 3.45Å; A600-L686 VanDerWaalsContact CB-CD2 3.45Å; Y682-L686 HydrophobicContact CD1-CD1 4.11Å; Y682-L686 HydrophobicContact CD1-CG 4.11Å; Y682-L686 HydrophobicContact CE1-CD1 3.67Å; Y682-L686 HydrophobicContact CE1-CD2 3.87Å; Y682-L686 HydrophobicContact CE1-CG 3.66Å; Y682-L686 WeakPolarHBondContact O-CG 3.49Å; Y682-L686 PolarHBondContact O-N 3.2Å; Y682-L686 WeakPolarHBondContact OH-CD2 3.36Å; G683-L686 PolarHBondContact O-N 3.24Å; L686-E688 VanDerWaalsContact C-N 3.34Å; L686-E688 PolarHBondContact O-N 3.17Å; L686-I689 PolarHBondContact O-N 3Å; L686-F690 HydrophobicContact CD2-CE2 4.39Å; L686-F690 VanDerWaalsContact O-CD2 3.29Å; L686-F690 WeakPolarHBondContact O-CD2 3.49Å; L686-F690 PolarHBondContact O-N 3.07Å; L686-I728 HydrophobicContact CD1-CG2 4.04Å; L686-M729 HydrophobicContact CB-CE 3.96Å; L686-M729 HydrophobicContact CB-CG 3.8Å; L686-M729 HydrophobicContact CB-SD 4.43Å; L686-M729 HydrophobicContact CD1-CG 4.02Å |
| 687 | W | 98.1 | Very high | 95.5 | Very high | 21 Ų | 21 | 6.5 Ų | 6.5 | 8% | 0.08 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -61.9 | -39.6 | 175.9 | -169 | 97.5 | 0 | 0 | 0 | 112.2 | G683 V684 L685 T691 S695 P696 P698 M715 D716 P718 M729 W733 | G683-W687 PolarHBondContact O-N 3.35Å; V684-W687 WeakPolarHBondContact O-CB 3.44Å; V684-W687 PolarHBondContact O-N 3.45Å; L685-W687 VanDerWaalsContact C-N 3.29Å; L685-W687 PolarHBondContact O-N 2.91Å; W687-T691 HydrophobicContact CD2-CG2 3.9Å; W687-T691 HydrophobicContact CE3-CG2 3.96Å; W687-T691 HydrophobicContact CH2-CG2 3.84Å; W687-T691 HydrophobicContact CZ2-CG2 3.77Å; W687-T691 HydrophobicContact CZ3-CG2 3.91Å; W687-T691 WeakPolarHBondContact O-CB 3.28Å; W687-T691 WeakPolarHBondContact O-CG2 3.34Å; W687-T691 PolarHBondContact O-N 2.9Å; W687-T691 PolarHBondContact O-OG1 2.64Å; W687-S695 WeakPolarHBondContact CH2-O 3.43Å; W687-S695 WeakPolarHBondContact CZ3-O 3.47Å; W687-P696 HydrophobicContact CE3-CG 4.49Å; W687-P698 HydrophobicContact CH2-CG 4.28Å; W687-P698 HydrophobicContact CZ2-CG 4.43Å; W687-M715 HydrophobicContact CB-CE 3.88Å; W687-M715 HydrophobicContact CD2-CE 4.02Å; W687-M715 HydrophobicContact CD2-SD 3.82Å; W687-M715 HydrophobicContact CE3-SD 4.13Å; W687-M715 HydrophobicContact CG-CE 3.73Å; W687-M715 HydrophobicContact CG-SD 4.14Å; W687-M715 HydrophobicContact CZ2-SD 4.38Å; W687-D716 PolarHBondContact NE1-O 3.33Å; W687-P718 HydrophobicContact CG-CG 4.19Å; W687-M729 HydrophobicContact CB-SD 4.14Å; W687-W733 HydrophobicContact CB-CH2 4.08Å; W687-W733 HydrophobicContact CB-CZ2 4.06Å; W687-W733 AromaticContact CD1-CH2 3.95Å; W687-W733 HydrophobicContact CG-CH2 4.27Å |
| 688 | E | 97.8 | Very high | 95 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -60.1 | -44.6 | 171.6 | -68.8 | -173.1 | 98.9 | 0 | 0 | 112 | A622 W662 V684 L685 L686 T691 L692 G693 P696 | A622-E688 HydrophobicContact CB-CB 3.97Å; A622-E688 HydrophobicContact CB-CG 4.39Å; A622-E688 PolarHBondContact N-OE2 3.25Å; W662-E688 WeakPolarHBondContact CZ2-OE1 3.49Å; W662-E688 PolarHBondContact NE1-OE2 3.42Å; V684-E688 PolarHBondContact O-N 3.18Å; L685-E688 WeakPolarHBondContact O-CB 3.3Å; L685-E688 PolarHBondContact O-N 3.45Å; L685-E688 VanDerWaalsContact O-N 3.14Å; L686-E688 VanDerWaalsContact C-N 3.34Å; L686-E688 PolarHBondContact O-N 3.17Å; E688-T691 CarbonylContact O-C 3.57Å; E688-T691 PolarHBondContact O-N 2.88Å; E688-T691 PolarHBondContact O-OG1 3.1Å; E688-L692 PolarHBondContact O-N 3.18Å; E688-G693 PolarHBondContact O-N 3.32Å; E688-P696 HydrophobicContact CG-CG 3.89Å |
| 689 | I | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.5 | -52.4 | 179.4 | -69.7 | 166.8 | 0 | 0 | 0 | 110.7 | L565 L569 L596 C599 A600 L685 L686 T691 L692 | L565-I689 HydrophobicContact CD2-CD1 4.26Å; L565-I689 HydrophobicContact CD2-CG1 4.11Å; L569-I689 HydrophobicContact CD1-CG1 4.35Å; L596-I689 HydrophobicContact CB-CG2 3.97Å; L596-I689 HydrophobicContact CD2-CG2 4.04Å; C599-I689 HydrophobicContact CB-CD1 4.47Å; C599-I689 HydrophobicContact CB-CG2 4.43Å; A600-I689 HydrophobicContact CB-CD1 4.38Å; L685-I689 HydrophobicContact CD1-CD1 4.17Å; L685-I689 HydrophobicContact CD1-CG1 4.22Å; L685-I689 HydrophobicContact CG-CD1 4Å; L685-I689 HydrophobicContact CG-CG1 4.48Å; L685-I689 WeakPolarHBondContact O-CG1 2.95Å; L685-I689 PolarHBondContact O-N 2.97Å; L686-I689 PolarHBondContact O-N 3Å; I689-T691 PolarHBondContact O-N 3.35Å; I689-L692 WeakPolarHBondContact O-CA 3.29Å; I689-L692 PolarHBondContact O-N 3.32Å |
| 690 | F | 96 | Very high | 93.3 | Very high | 1 Ų | 1 | 16 Ų | 16 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -78 | -4.2 | -177.3 | -70.2 | -76.3 | 0 | 0 | 0 | 114.4 | F593 L596 V597 A600 L686 P718 C721 L725 M729 | F593-F690 HydrophobicContact CD2-CE1 4.1Å; F593-F690 HydrophobicContact CE2-CD1 4.42Å; F593-F690 AromaticContact CE2-CE1 3.8Å; F593-F690 HydrophobicContact CE2-CE1 3.8Å; L596-F690 HydrophobicContact CB-CD1 4.04Å; L596-F690 HydrophobicContact CB-CE1 3.53Å; L596-F690 HydrophobicContact CB-CZ 3.98Å; L596-F690 HydrophobicContact CD1-CD1 3.96Å; L596-F690 HydrophobicContact CD1-CE1 4.22Å; V597-F690 HydrophobicContact CG2-CE1 4.34Å; V597-F690 HydrophobicContact CG2-CZ 4Å; A600-F690 HydrophobicContact CB-CE2 4.49Å; L686-F690 HydrophobicContact CD2-CE2 4.39Å; L686-F690 VanDerWaalsContact O-CD2 3.29Å; L686-F690 WeakPolarHBondContact O-CD2 3.49Å; L686-F690 PolarHBondContact O-N 3.07Å; F690-P718 HydrophobicContact CB-CB 4.01Å; F690-P718 HydrophobicContact CB-CG 4.06Å; F690-P718 WeakPolarHBondContact O-CB 3.2Å; F690-C721 HydrophobicContact CB-CB 4.02Å; F690-C721 HydrophobicContact CD1-CB 4.45Å; F690-C721 HydrophobicContact CG-CB 4.28Å; F690-L725 HydrophobicContact CD1-CD1 4.45Å; F690-L725 HydrophobicContact CE1-CD1 3.69Å; F690-L725 HydrophobicContact CE2-CD1 4.02Å; F690-L725 HydrophobicContact CE2-CD2 4.32Å; F690-L725 HydrophobicContact CZ-CD1 3.46Å; F690-L725 VanDerWaalsContact CZ-CD1 3.46Å; F690-L725 HydrophobicContact CZ-CD2 4.27Å; F690-L725 HydrophobicContact CZ-CG 4.44Å; F690-M729 HydrophobicContact CB-CE 4.15Å; F690-M729 HydrophobicContact CD2-CE 3.65Å; F690-M729 HydrophobicContact CG-CE 4.2Å |
| 691 | T | 94.1 | Very high | 92.4 | Very high | 31 Ų | 31 | 18.5 Ų | 18.5 | 19% | 0.19 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 12 | 163.2 | 58 | 0 | 0 | 0 | 0 | 113 | R573 W687 E688 I689 G693 G694 P718 | R573-T691 PolarHBondContact NH2-O 3.33Å; W687-T691 HydrophobicContact CD2-CG2 3.9Å; W687-T691 HydrophobicContact CE3-CG2 3.96Å; W687-T691 HydrophobicContact CH2-CG2 3.84Å; W687-T691 HydrophobicContact CZ2-CG2 3.77Å; W687-T691 HydrophobicContact CZ3-CG2 3.91Å; W687-T691 WeakPolarHBondContact O-CB 3.28Å; W687-T691 WeakPolarHBondContact O-CG2 3.34Å; W687-T691 PolarHBondContact O-N 2.9Å; W687-T691 PolarHBondContact O-OG1 2.64Å; E688-T691 CarbonylContact O-C 3.57Å; E688-T691 PolarHBondContact O-N 2.88Å; E688-T691 PolarHBondContact O-OG1 3.1Å; I689-T691 PolarHBondContact O-N 3.35Å; T691-G693 VanDerWaalsContact C-N 3.33Å; T691-G693 PolarHBondContact O-N 2.94Å; T691-G694 PolarHBondContact O-N 3.12Å; T691-G694 WeakPolarHBondContact OG1-CA 3.31Å; T691-G694 PolarHBondContact OG1-N 3.17Å; T691-G694 VanDerWaalsContact OG1-N 3.16Å; T691-P718 HydrophobicContact CG2-CB 3.76Å; T691-P718 HydrophobicContact CG2-CG 3.92Å |
| 692 | L | 93.3 | Very high | 91.2 | Very high | 5 Ų | 5 | 20.4 Ų | 20.4 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 41.9 | 179.4 | -56.9 | 177 | 0 | 0 | 0 | 113.3 | L569 R570 R573 M577 L591 L596 E688 I689 | L569-L692 CarbonylContact C-O 3.43Å; L569-L692 VanDerWaalsContact CB-C 3.44Å; L569-L692 HydrophobicContact CB-CB 4.47Å; L569-L692 HydrophobicContact CD2-CD2 4.27Å; R570-L692 PolarHBondContact N-O 2.73Å; R573-L692 HydrophobicContact CG-CB 3.65Å; R573-L692 HydrophobicContact CG-CD1 3.96Å; R573-L692 HydrophobicContact CG-CG 4.47Å; R573-L692 VanDerWaalsContact CZ-O 3.27Å; R573-L692 PolarHBondContact NE-O 3.21Å; R573-L692 PolarHBondContact NH2-O 3.05Å; M577-L692 HydrophobicContact SD-CD1 4.32Å; L591-L692 HydrophobicContact CD1-CD2 4.41Å; L596-L692 HydrophobicContact CD1-CD2 3.88Å; L596-L692 HydrophobicContact CD2-CD2 3.64Å; L596-L692 HydrophobicContact CG-CD2 4.38Å; E688-L692 PolarHBondContact O-N 3.18Å; I689-L692 WeakPolarHBondContact O-CA 3.29Å; I689-L692 PolarHBondContact O-N 3.32Å |
| 693 | G | 92 | Very high | 90 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 87.8 | 32.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R570 E688 T691 | R570-G693 PolarHBondContact NE-O 3.31Å; R570-G693 PolarHBondContact NH2-O 3.37Å; E688-G693 PolarHBondContact O-N 3.32Å; T691-G693 VanDerWaalsContact C-N 3.33Å; T691-G693 PolarHBondContact O-N 2.94Å |
| 694 | G | 88.9 | Confident | 89.1 | Confident | 9 Ų | 9 | 32.6 Ų | 32.6 | 9% | 0.093 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -60.5 | 164.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T691 | T691-G694 PolarHBondContact O-N 3.12Å; T691-G694 WeakPolarHBondContact OG1-CA 3.31Å; T691-G694 PolarHBondContact OG1-N 3.17Å; T691-G694 VanDerWaalsContact OG1-N 3.16Å |
| 695 | S | 89.1 | Confident | 88.3 | Confident | 56 Ų | 56 | 32.6 Ų | 32.6 | 39% | 0.392 | 20% | 0.201 | S | C | . | . | P | Polyproline II helix | trans | -93.7 | 123.3 | 170.8 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | W687 | W687-S695 WeakPolarHBondContact CH2-O 3.43Å; W687-S695 WeakPolarHBondContact CZ3-O 3.47Å |
| 696 | P | 92.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -54 | 149.2 | 176 | -29.2 | 37.1 | 0 | 0 | 0 | 112.8 | K661 W662 V684 W687 E688 M715 | K661-P696 HydrophobicContact CB-CB 4.27Å; K661-P696 WeakPolarHBondContact CD-O 3.3Å; K661-P696 PolarHBondContact NZ-O 3.02Å; W662-P696 HydrophobicContact CH2-CG 4.25Å; W662-P696 HydrophobicContact CZ2-CG 3.67Å; V684-P696 HydrophobicContact CG1-CB 3.77Å; V684-P696 HydrophobicContact CG1-CG 3.44Å; V684-P696 VanDerWaalsContact CG1-CG 3.44Å; W687-P696 HydrophobicContact CE3-CG 4.49Å; E688-P696 HydrophobicContact CG-CG 3.89Å; P696-M715 HydrophobicContact CB-CE 4.32Å; P696-M715 HydrophobicContact CB-SD 3.75Å |
| 697 | Y | 89.3 | Confident | 86.3 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 45.9 | 65.6 | -176.7 | -56.4 | -85.7 | 0 | 0 | 0 | 110.9 | K661 I700 L705 L709 H713 M715 | K661-Y697 HydrophobicContact CB-CD2 4.21Å; K661-Y697 HydrophobicContact CD-CD2 4.41Å; K661-Y697 HydrophobicContact CG-CD2 4.49Å; K661-Y697 PolarHBondContact NZ-O 3.34Å; K661-Y697 WeakPolarHBondContact O-CE2 3.43Å; Y697-I700 HydrophobicContact CD1-CD1 4.37Å; Y697-I700 PolarHBondContact O-N 2.75Å; Y697-L705 HydrophobicContact CD1-CD1 3.41Å; Y697-L705 VanDerWaalsContact CD1-CD1 3.41Å; Y697-L705 HydrophobicContact CD2-CD1 3.97Å; Y697-L705 HydrophobicContact CD2-CD2 3.81Å; Y697-L705 HydrophobicContact CE1-CD1 3.62Å; Y697-L705 HydrophobicContact CE2-CD1 4.18Å; Y697-L705 HydrophobicContact CE2-CD2 4.15Å; Y697-L705 HydrophobicContact CG-CD1 3.6Å; Y697-L705 HydrophobicContact CG-CD2 4.12Å; Y697-L709 HydrophobicContact CE1-CD2 4.28Å; Y697-H713 AromaticContact CD1-NE2 3.97Å; Y697-M715 HydrophobicContact CD1-CG 3.49Å; Y697-M715 VanDerWaalsContact CD1-CG 3.49Å; Y697-M715 HydrophobicContact CD1-SD 4.21Å; Y697-M715 HydrophobicContact CD2-CG 4.22Å; Y697-M715 HydrophobicContact CD2-SD 3.84Å; Y697-M715 HydrophobicContact CE1-CG 3.48Å; Y697-M715 VanDerWaalsContact CE1-CG 3.48Å; Y697-M715 HydrophobicContact CE1-SD 4.3Å; Y697-M715 HydrophobicContact CE2-CE 4.14Å; Y697-M715 HydrophobicContact CE2-CG 4.19Å; Y697-M715 HydrophobicContact CE2-SD 3.93Å; Y697-M715 HydrophobicContact CG-CG 3.88Å; Y697-M715 HydrophobicContact CG-SD 3.98Å; Y697-M715 PolarHBondContact N-SD 3.26Å |
| 698 | P | 84.1 | Confident | 85.6 | Confident | 86 Ų | 86 | 43.5 Ų | 43.5 | 56% | 0.558 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 138.4 | -175.6 | 26.6 | -34.7 | 0 | 0 | 0 | 110.7 | W687 I700 | W687-P698 HydrophobicContact CH2-CG 4.28Å; W687-P698 HydrophobicContact CZ2-CG 4.43Å; P698-I700 PolarHBondContact O-N 2.8Å |
| 699 | G | 80.1 | Confident | 85.1 | Confident | 87 Ų | 87 | 43.9 Ų | 43.9 | 90% | 0.897 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | -22 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 700 | I | 77.6 | Confident | 84.4 | Confident | 31 Ų | 31 | 51.1 Ų | 51.1 | 16% | 0.159 | 29% | 0.285 | C | S | . | . | trans | -84.9 | 122.8 | -177 | -61.9 | 166.1 | 0 | 0 | 0 | 110.5 | K661 Y697 P698 L705 L708 H713 | K661-I700 WeakPolarHBondContact CE-O 3.44Å; K661-I700 PolarHBondContact NZ-O 3.32Å; Y697-I700 HydrophobicContact CD1-CD1 4.37Å; Y697-I700 PolarHBondContact O-N 2.75Å; P698-I700 PolarHBondContact O-N 2.8Å; I700-L705 HydrophobicContact CG2-CB 4.12Å; I700-L705 HydrophobicContact CG2-CD1 4.41Å; I700-L708 HydrophobicContact CD1-CD1 4.02Å; I700-L708 HydrophobicContact CG1-CD1 4.3Å; I700-L708 HydrophobicContact CG2-CD1 3.77Å; I700-H713 WeakPolarHBondContact CD1-NE2 3.47Å | ||
| 701 | P | 79.8 | Confident | 84 | Confident | 52 Ų | 52 | 56.7 Ų | 56.7 | 34% | 0.338 | 31% | 0.311 | S | S | . | . | trans | -72.3 | 158.4 | 173 | 32.1 | -34.6 | 0 | 0 | 0 | 111.3 | E703 E704 L705 | P701-E703 PolarHBondContact O-N 2.75Å; P701-E704 WeakPolarHBondContact CD-OE2 3.43Å; P701-E704 HydrophobicContact CG-CB 3.96Å; P701-E704 VanDerWaalsContact CG-CD 3.5Å; P701-E704 HydrophobicContact CG-CG 3.74Å; P701-E704 PolarHBondContact O-N 3.44Å; P701-L705 PolarHBondContact O-N 2.99Å | ||
| 702 | V | 73.2 | Confident | 83.6 | Confident | 47 Ų | 47 | 57.3 Ų | 57.3 | 29% | 0.285 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.8 | -32.3 | -172.6 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | V660 K661 L705 F706 | V660-V702 HydrophobicContact CB-CG1 3.65Å; V660-V702 HydrophobicContact CG1-CG1 3.55Å; V660-V702 HydrophobicContact CG2-CG1 3.93Å; K661-V702 HydrophobicContact CG-CG2 4.36Å; V702-L705 PolarHBondContact O-N 3.47Å; V702-F706 HydrophobicContact CG1-CE2 4.08Å; V702-F706 WeakPolarHBondContact O-CD2 3.47Å; V702-F706 WeakPolarHBondContact O-CE2 3.4Å |
| 703 | E | 73.6 | Confident | 83.4 | Confident | 143 Ų | 143 | 60 Ų | 60 | 67% | 0.668 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65.6 | -39.5 | -178.5 | -61.5 | 68.7 | -153.3 | 0 | 0 | 111.7 | P701 | P701-E703 PolarHBondContact O-N 2.75Å |
| 704 | E | 80.8 | Confident | 83.5 | Confident | 113 Ų | 113 | 61.6 Ų | 61.6 | 53% | 0.528 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -80.4 | -30.7 | 177 | -68.5 | 177 | -178.6 | 0 | 0 | 112.5 | P701 F706 K707 L708 | P701-E704 WeakPolarHBondContact CD-OE2 3.43Å; P701-E704 HydrophobicContact CG-CB 3.96Å; P701-E704 VanDerWaalsContact CG-CD 3.5Å; P701-E704 HydrophobicContact CG-CG 3.74Å; P701-E704 PolarHBondContact O-N 3.44Å; E704-F706 PolarHBondContact O-N 3.09Å; E704-K707 WeakPolarHBondContact O-CB 3.38Å; E704-K707 PolarHBondContact O-N 2.96Å; E704-L708 PolarHBondContact O-N 2.93Å; E704-L708 VanDerWaalsContact O-N 3.15Å |
| 705 | L | 80.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56 | -36.1 | -178.3 | -177.2 | 60.1 | 0 | 0 | 0 | 112.5 | K661 Y697 I700 P701 V702 K707 L708 L709 | K661-L705 HydrophobicContact CB-CD2 4.3Å; K661-L705 HydrophobicContact CG-CD2 3.83Å; Y697-L705 HydrophobicContact CD1-CD1 3.41Å; Y697-L705 VanDerWaalsContact CD1-CD1 3.41Å; Y697-L705 HydrophobicContact CD2-CD1 3.97Å; Y697-L705 HydrophobicContact CD2-CD2 3.81Å; Y697-L705 HydrophobicContact CE1-CD1 3.62Å; Y697-L705 HydrophobicContact CE2-CD1 4.18Å; Y697-L705 HydrophobicContact CE2-CD2 4.15Å; Y697-L705 HydrophobicContact CG-CD1 3.6Å; Y697-L705 HydrophobicContact CG-CD2 4.12Å; I700-L705 HydrophobicContact CG2-CB 4.12Å; I700-L705 HydrophobicContact CG2-CD1 4.41Å; P701-L705 PolarHBondContact O-N 2.99Å; V702-L705 PolarHBondContact O-N 3.47Å; L705-K707 VanDerWaalsContact C-N 3.27Å; L705-K707 PolarHBondContact O-N 3.44Å; L705-L708 PolarHBondContact O-N 2.96Å; L705-L709 HydrophobicContact CD1-CD1 4.2Å; L705-L709 HydrophobicContact CD1-CD2 4.27Å; L705-L709 HydrophobicContact CD1-CG 3.86Å; L705-L709 HydrophobicContact CG-CD1 3.94Å; L705-L709 HydrophobicContact CG-CG 4.08Å; L705-L709 WeakPolarHBondContact O-CB 3.5Å; L705-L709 VanDerWaalsContact O-CG 3.31Å; L705-L709 WeakPolarHBondContact O-CG 3.36Å; L705-L709 PolarHBondContact O-N 3.04Å |
| 706 | F | 74.3 | Confident | 84 | Confident | 75 Ų | 75 | 64.7 Ų | 64.7 | 33% | 0.329 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.3 | -38.9 | 175.4 | -68.4 | -81.5 | 0 | 0 | 0 | 113.2 | V660 L668 F669 V702 E704 | V660-F706 HydrophobicContact CG1-CE1 4.19Å; V660-F706 HydrophobicContact CG1-CE2 4.17Å; V660-F706 HydrophobicContact CG1-CZ 3.77Å; V660-F706 HydrophobicContact CG2-CZ 4.37Å; L668-F706 HydrophobicContact CD2-CE1 3.84Å; L668-F706 HydrophobicContact CD2-CZ 4.47Å; F669-F706 HydrophobicContact CE1-CB 4.39Å; F669-F706 AromaticContact CE1-CD1 3.87Å; F669-F706 HydrophobicContact CE1-CD1 3.87Å; F669-F706 HydrophobicContact CZ-CD1 4.43Å; V702-F706 HydrophobicContact CG1-CE2 4.08Å; V702-F706 WeakPolarHBondContact O-CD2 3.47Å; V702-F706 WeakPolarHBondContact O-CE2 3.4Å; E704-F706 PolarHBondContact O-N 3.09Å |
| 707 | K | 80.4 | Confident | 84.1 | Confident | 128 Ų | 128 | 69 Ų | 69 | 56% | 0.557 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -73.8 | -49.4 | 179.2 | -170.7 | -171.4 | 177.1 | -122.7 | 0 | 110.1 | E704 L705 L709 K710 E711 | E704-K707 WeakPolarHBondContact O-CB 3.38Å; E704-K707 PolarHBondContact O-N 2.96Å; L705-K707 VanDerWaalsContact C-N 3.27Å; L705-K707 PolarHBondContact O-N 3.44Å; K707-L709 VanDerWaalsContact C-N 3.33Å; K707-L709 PolarHBondContact O-N 3.17Å; K707-K710 WeakPolarHBondContact O-CB 3.48Å; K707-K710 PolarHBondContact O-N 2.69Å; K707-K710 VanDerWaalsContact O-N 3.08Å; K707-E711 WeakPolarHBondContact CE-OE1 3.33Å; K707-E711 IonicContact NZ-OE1 3.91Å; K707-E711 PolarHBondContact NZ-OE1 3.42Å; K707-E711 IonicContact NZ-OE2 3.15Å; K707-E711 PolarHBondContact O-N 2.75Å |
| 708 | L | 84.1 | Confident | 84.2 | Confident | 46 Ų | 46 | 69.1 Ų | 69.1 | 24% | 0.241 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.6 | -41.7 | -179.5 | -68 | 172.9 | 0 | 0 | 0 | 112.2 | I700 E704 L705 K710 E711 G712 H713 | I700-L708 HydrophobicContact CD1-CD1 4.02Å; I700-L708 HydrophobicContact CG1-CD1 4.3Å; I700-L708 HydrophobicContact CG2-CD1 3.77Å; E704-L708 PolarHBondContact O-N 2.93Å; E704-L708 VanDerWaalsContact O-N 3.15Å; L705-L708 PolarHBondContact O-N 2.96Å; L708-K710 VanDerWaalsContact C-N 3.32Å; L708-K710 PolarHBondContact O-N 2.72Å; L708-E711 CarbonylContact O-C 3.44Å; L708-E711 PolarHBondContact O-N 3.35Å; L708-G712 PolarHBondContact O-N 3.18Å; L708-G712 VanDerWaalsContact O-N 3.15Å; L708-H713 HydrophobicContact CB-CB 3.83Å; L708-H713 VanDerWaalsContact O-CB 3.23Å; L708-H713 WeakPolarHBondContact O-CB 3.3Å; L708-H713 PolarHBondContact O-N 3.32Å |
| 709 | L | 87.2 | Confident | 84.3 | Confident | 9 Ų | 9 | 69 Ų | 69 | 5% | 0.047 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.9 | -35.8 | 176.8 | -73.7 | 178.4 | 0 | 0 | 0 | 113.1 | L668 W680 Y697 L705 K707 G712 | L668-L709 HydrophobicContact CD1-CD1 3.98Å; W680-L709 HydrophobicContact CH2-CD2 4.06Å; W680-L709 HydrophobicContact CZ2-CD2 3.81Å; Y697-L709 HydrophobicContact CE1-CD2 4.28Å; L705-L709 HydrophobicContact CD1-CD1 4.2Å; L705-L709 HydrophobicContact CD1-CD2 4.27Å; L705-L709 HydrophobicContact CD1-CG 3.86Å; L705-L709 HydrophobicContact CG-CD1 3.94Å; L705-L709 HydrophobicContact CG-CG 4.08Å; L705-L709 WeakPolarHBondContact O-CB 3.5Å; L705-L709 VanDerWaalsContact O-CG 3.31Å; L705-L709 WeakPolarHBondContact O-CG 3.36Å; L705-L709 PolarHBondContact O-N 3.04Å; K707-L709 VanDerWaalsContact C-N 3.33Å; K707-L709 PolarHBondContact O-N 3.17Å; L709-G712 PolarHBondContact O-N 3.03Å |
| 710 | K | 81.1 | Confident | 84.3 | Confident | 153 Ų | 153 | 67.7 Ų | 67.7 | 67% | 0.665 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -70.5 | -35.6 | 173.3 | -73.6 | -174.8 | 174.4 | -172.6 | 0 | 112.4 | F669 K707 L708 G712 | F669-K710 HydrophobicContact CE1-CD 4.34Å; F669-K710 VanDerWaalsContact CE1-CE 3.4Å; F669-K710 HydrophobicContact CE1-CG 4.35Å; F669-K710 HydrophobicContact CE2-CG 3.82Å; F669-K710 HydrophobicContact CZ-CD 4.14Å; F669-K710 HydrophobicContact CZ-CG 3.65Å; K707-K710 WeakPolarHBondContact O-CB 3.48Å; K707-K710 PolarHBondContact O-N 2.69Å; K707-K710 VanDerWaalsContact O-N 3.08Å; L708-K710 VanDerWaalsContact C-N 3.32Å; L708-K710 PolarHBondContact O-N 2.72Å; K710-G712 PolarHBondContact O-N 2.83Å |
| 711 | E | 87.6 | Confident | 84.9 | Confident | 117 Ų | 117 | 66.6 Ų | 66.6 | 55% | 0.547 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 1.1 | 173.1 | -67.3 | 171.2 | 155.2 | 0 | 0 | 112.6 | K707 L708 | K707-E711 WeakPolarHBondContact CE-OE1 3.33Å; K707-E711 IonicContact NZ-OE1 3.91Å; K707-E711 PolarHBondContact NZ-OE1 3.42Å; K707-E711 IonicContact NZ-OE2 3.15Å; K707-E711 PolarHBondContact O-N 2.75Å; L708-E711 CarbonylContact O-C 3.44Å; L708-E711 PolarHBondContact O-N 3.35Å |
| 712 | G | 85.4 | Confident | 85.5 | Confident | 44 Ų | 44 | 66.8 Ų | 66.8 | 45% | 0.454 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | 2.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L708 L709 K710 R714 | L708-G712 PolarHBondContact O-N 3.18Å; L708-G712 VanDerWaalsContact O-N 3.15Å; L709-G712 PolarHBondContact O-N 3.03Å; K710-G712 PolarHBondContact O-N 2.83Å; G712-R714 PolarHBondContact O-NH1 3.27Å |
| 713 | H | 90.5 | Very high | 86.3 | Confident | 63 Ų | 63 | 70.7 Ų | 70.7 | 29% | 0.292 | 36% | 0.36 | S | S | . | . | trans | -56.8 | 140.8 | 178.1 | 176.2 | 71.5 | 0 | 0 | 0 | 111.9 | Y697 I700 L708 | Y697-H713 AromaticContact CD1-NE2 3.97Å; I700-H713 WeakPolarHBondContact CD1-NE2 3.47Å; L708-H713 HydrophobicContact CB-CB 3.83Å; L708-H713 VanDerWaalsContact O-CB 3.23Å; L708-H713 WeakPolarHBondContact O-CB 3.3Å; L708-H713 PolarHBondContact O-N 3.32Å | ||
| 714 | R | 93.6 | Very high | 87.3 | Confident | 33 Ų | 33 | 68.1 Ų | 68.1 | 13% | 0.125 | 35% | 0.348 | C | S | . | . | trans | -138.2 | 157.7 | 175.6 | -61.5 | -60.6 | -178.8 | -93.1 | 1 | 108.8 | G712 W733 | G712-R714 PolarHBondContact O-NH1 3.27Å; R714-W733 HydrophobicContact CB-CE3 4.08Å; R714-W733 HydrophobicContact CG-CE3 4.43Å; R714-W733 PolarHBondContact NE-O 3.07Å; R714-W733 PolarHBondContact NH2-O 3.14Å | ||
| 715 | M | 95.6 | Very high | 88 | Confident | 4 Ų | 4 | 62.8 Ų | 62.8 | 2% | 0.02 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 144.6 | 178.3 | -63.5 | -179.7 | -67.9 | 0 | 0 | 111.6 | V684 W687 P696 Y697 Y726 W733 | V684-M715 HydrophobicContact CG1-CE 4.27Å; V684-M715 HydrophobicContact CG2-CE 4.27Å; W687-M715 HydrophobicContact CB-CE 3.88Å; W687-M715 HydrophobicContact CD2-CE 4.02Å; W687-M715 HydrophobicContact CD2-SD 3.82Å; W687-M715 HydrophobicContact CE3-SD 4.13Å; W687-M715 HydrophobicContact CG-CE 3.73Å; W687-M715 HydrophobicContact CG-SD 4.14Å; W687-M715 HydrophobicContact CZ2-SD 4.38Å; P696-M715 HydrophobicContact CB-CE 4.32Å; P696-M715 HydrophobicContact CB-SD 3.75Å; Y697-M715 HydrophobicContact CD1-CG 3.49Å; Y697-M715 VanDerWaalsContact CD1-CG 3.49Å; Y697-M715 HydrophobicContact CD1-SD 4.21Å; Y697-M715 HydrophobicContact CD2-CG 4.22Å; Y697-M715 HydrophobicContact CD2-SD 3.84Å; Y697-M715 HydrophobicContact CE1-CG 3.48Å; Y697-M715 VanDerWaalsContact CE1-CG 3.48Å; Y697-M715 HydrophobicContact CE1-SD 4.3Å; Y697-M715 HydrophobicContact CE2-CE 4.14Å; Y697-M715 HydrophobicContact CE2-CG 4.19Å; Y697-M715 HydrophobicContact CE2-SD 3.93Å; Y697-M715 HydrophobicContact CG-CG 3.88Å; Y697-M715 HydrophobicContact CG-SD 3.98Å; Y697-M715 PolarHBondContact N-SD 3.26Å; M715-Y726 WeakPolarHBondContact O-CE2 3.26Å; M715-Y726 PolarHBondContact O-OH 2.97Å; M715-W733 HydrophobicContact CB-CH2 4.08Å; M715-W733 HydrophobicContact CB-CZ3 4.27Å; M715-W733 HydrophobicContact CE-CH2 3.5Å; M715-W733 VanDerWaalsContact CE-CH2 3.5Å; M715-W733 HydrophobicContact CE-CZ2 3.27Å; M715-W733 HydrophobicContact CE-CZ3 4.47Å |
| 716 | D | 92.8 | Very high | 88.8 | Confident | 126 Ų | 126 | 64 Ų | 64 | 67% | 0.674 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 161 | 177.3 | -59.9 | -55.1 | 0 | 0 | 0 | 113.3 | W687 | W687-D716 PolarHBondContact NE1-O 3.33Š|
| 717 | K | 94.4 | Very high | 89.8 | Confident | 90 Ų | 90 | 63.4 Ų | 63.4 | 39% | 0.391 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 126.5 | 178.5 | -169.8 | -176.7 | 78.7 | 64.7 | 0 | 111.1 | C721 Y726 | K717-C721 HydrophobicContact CG-CB 4.32Å; K717-C721 PolarHBondContact NZ-O 3.36Å; K717-Y726 HydrophobicContact CB-CD1 3.75Å; K717-Y726 HydrophobicContact CB-CD2 3.97Å; K717-Y726 HydrophobicContact CB-CE1 3.9Å; K717-Y726 HydrophobicContact CB-CE2 4.14Å; K717-Y726 HydrophobicContact CB-CG 3.78Å; K717-Y726 HydrophobicContact CD-CD1 4.18Å; K717-Y726 HydrophobicContact CD-CG 4.24Å; K717-Y726 HydrophobicContact CG-CD1 3.88Å; K717-Y726 HydrophobicContact CG-CD2 4.1Å; K717-Y726 HydrophobicContact CG-CG 3.63Å |
| 718 | P | 92.1 | Very high | 90.7 | Very high | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.032 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 152.3 | 170.8 | -22.9 | 33.3 | 0 | 0 | 0 | 112.9 | W687 F690 T691 C721 M729 | W687-P718 HydrophobicContact CG-CG 4.19Å; F690-P718 HydrophobicContact CB-CB 4.01Å; F690-P718 HydrophobicContact CB-CG 4.06Å; F690-P718 WeakPolarHBondContact O-CB 3.2Å; T691-P718 HydrophobicContact CG2-CB 3.76Å; T691-P718 HydrophobicContact CG2-CG 3.92Å; P718-C721 HydrophobicContact CB-CB 3.81Å; P718-C721 HydrophobicContact CG-CB 4.07Å; P718-C721 WeakPolarHBondContact O-CB 3.34Å; P718-C721 PolarHBondContact O-N 3.09Å; P718-M729 HydrophobicContact CG-CE 4.27Å; P718-M729 HydrophobicContact CG-SD 4.45Å |
| 719 | A | 85.5 | Confident | 91.4 | Very high | 83 Ų | 83 | 55.5 Ų | 55.5 | 69% | 0.686 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -49.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | M577 C721 | M577-A719 HydrophobicContact CE-CB 4.37Å; A719-C721 PolarHBondContact O-N 3.33Å; A719-C721 VanDerWaalsContact O-N 3.15Å |
| 720 | N | 79.9 | Confident | 91.9 | Very high | 59 Ų | 59 | 60.7 Ų | 60.7 | 32% | 0.316 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 20.1 | -176.2 | -59.6 | -1.1 | 0 | 0 | 0 | 113.6 | ||
| 721 | C | 90.6 | Very high | 92.7 | Very high | 8 Ų | 8 | 57.9 Ų | 57.9 | 5% | 0.054 | 30% | 0.3 | C | S | . | . | trans | -113.5 | 135.5 | -175.8 | -174.4 | 0 | 0 | 0 | 0 | 111.2 | F690 K717 P718 A719 L725 M729 | F690-C721 HydrophobicContact CB-CB 4.02Å; F690-C721 HydrophobicContact CD1-CB 4.45Å; F690-C721 HydrophobicContact CG-CB 4.28Å; K717-C721 HydrophobicContact CG-CB 4.32Å; K717-C721 PolarHBondContact NZ-O 3.36Å; P718-C721 HydrophobicContact CB-CB 3.81Å; P718-C721 HydrophobicContact CG-CB 4.07Å; P718-C721 WeakPolarHBondContact O-CB 3.34Å; P718-C721 PolarHBondContact O-N 3.09Å; A719-C721 PolarHBondContact O-N 3.33Å; A719-C721 VanDerWaalsContact O-N 3.15Å; C721-L725 VanDerWaalsContact SG-CB 3.55Å; C721-M729 VanDerWaalsContact SG-CE 3.56Å | ||
| 722 | T | 92.3 | Very high | 93.2 | Very high | 56 Ų | 56 | 52.3 Ų | 52.3 | 34% | 0.344 | 27% | 0.273 | S | S | . | . | trans | -69 | 165.3 | 169.4 | 59.9 | 0 | 0 | 0 | 0 | 111.1 | F593 L725 Y726 | F593-T722 HydrophobicContact CE1-CG2 4.27Å; F593-T722 HydrophobicContact CE2-CG2 3.88Å; F593-T722 HydrophobicContact CZ-CG2 3.49Å; F593-T722 VanDerWaalsContact CZ-CG2 3.49Å; T722-L725 WeakPolarHBondContact OG1-CD1 3.44Å; T722-L725 WeakPolarHBondContact OG1-CG 3.14Å; T722-L725 PolarHBondContact OG1-N 3.37Å; T722-Y726 PolarHBondContact O-N 2.82Å | ||
| 723 | H | 90.3 | Very high | 93.8 | Very high | 130 Ų | 130 | 50.3 Ų | 50.3 | 60% | 0.602 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -64 | -41.5 | 174.4 | -175.1 | -87.7 | 0 | 0 | 0 | 111.7 | Y726 M727 | H723-Y726 WeakPolarHBondContact O-CB 3.23Å; H723-Y726 PolarHBondContact O-N 3.22Å; H723-Y726 VanDerWaalsContact O-N 3.16Å; H723-M727 WeakPolarHBondContact O-CG 3.41Å; H723-M727 PolarHBondContact O-N 3.4Å |
| 724 | E | 93.3 | Very high | 94.1 | Very high | 89 Ų | 89 | 50.4 Ų | 50.4 | 42% | 0.416 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.2 | -52.5 | 179.5 | -174.2 | 177 | -158.4 | 0 | 0 | 112.4 | Y726 M727 I728 I753 | E724-Y726 PolarHBondContact O-N 2.94Å; E724-M727 WeakPolarHBondContact O-CB 3.2Å; E724-M727 PolarHBondContact O-N 3.47Å; E724-I728 PolarHBondContact O-N 3.31Å; E724-I753 HydrophobicContact CG-CD1 4.06Å |
| 725 | L | 95.9 | Very high | 94 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.7 | -32.3 | 175.7 | -74.9 | 167.6 | 0 | 0 | 0 | 113 | F593 V597 F690 C721 T722 I728 M729 L750 I753 | F593-L725 HydrophobicContact CE2-CD1 3.57Å; F593-L725 HydrophobicContact CZ-CD1 3.41Å; F593-L725 VanDerWaalsContact CZ-CD1 3.41Å; V597-L725 HydrophobicContact CG2-CD1 4.08Å; F690-L725 HydrophobicContact CD1-CD1 4.45Å; F690-L725 HydrophobicContact CE1-CD1 3.69Å; F690-L725 HydrophobicContact CE2-CD1 4.02Å; F690-L725 HydrophobicContact CE2-CD2 4.32Å; F690-L725 HydrophobicContact CZ-CD1 3.46Å; F690-L725 VanDerWaalsContact CZ-CD1 3.46Å; F690-L725 HydrophobicContact CZ-CD2 4.27Å; F690-L725 HydrophobicContact CZ-CG 4.44Å; C721-L725 VanDerWaalsContact SG-CB 3.55Å; T722-L725 WeakPolarHBondContact OG1-CD1 3.44Å; T722-L725 WeakPolarHBondContact OG1-CG 3.14Å; T722-L725 PolarHBondContact OG1-N 3.37Å; L725-I728 PolarHBondContact O-N 3.03Å; L725-M729 WeakPolarHBondContact O-CG 3.43Å; L725-M729 PolarHBondContact O-N 2.9Å; L725-L750 HydrophobicContact CD2-CD2 3.67Å; L725-I753 HydrophobicContact CD2-CD1 3.81Å; L725-I753 HydrophobicContact CG-CD1 4.21Å |
| 726 | Y | 97.1 | Very high | 93.8 | Very high | 26 Ų | 26 | 55.4 Ų | 55.4 | 10% | 0.102 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -74.5 | -31.6 | 175.9 | 178.9 | -122 | 0 | 0 | 0 | 112.7 | M715 K717 T722 H723 E724 I728 M729 R730 W733 | M715-Y726 WeakPolarHBondContact O-CE2 3.26Å; M715-Y726 PolarHBondContact O-OH 2.97Å; K717-Y726 HydrophobicContact CB-CD1 3.75Å; K717-Y726 HydrophobicContact CB-CD2 3.97Å; K717-Y726 HydrophobicContact CB-CE1 3.9Å; K717-Y726 HydrophobicContact CB-CE2 4.14Å; K717-Y726 HydrophobicContact CB-CG 3.78Å; K717-Y726 HydrophobicContact CD-CD1 4.18Å; K717-Y726 HydrophobicContact CD-CG 4.24Å; K717-Y726 HydrophobicContact CG-CD1 3.88Å; K717-Y726 HydrophobicContact CG-CD2 4.1Å; K717-Y726 HydrophobicContact CG-CG 3.63Å; T722-Y726 PolarHBondContact O-N 2.82Å; H723-Y726 WeakPolarHBondContact O-CB 3.23Å; H723-Y726 PolarHBondContact O-N 3.22Å; H723-Y726 VanDerWaalsContact O-N 3.16Å; E724-Y726 PolarHBondContact O-N 2.94Å; Y726-I728 VanDerWaalsContact C-N 3.34Å; Y726-M729 HydrophobicContact CD2-CB 4.42Å; Y726-M729 HydrophobicContact CD2-SD 4.13Å; Y726-M729 WeakPolarHBondContact O-CB 3.37Å; Y726-M729 PolarHBondContact O-N 3.17Å; Y726-R730 HydrophobicContact CD2-CG 4.41Å; Y726-R730 HydrophobicContact CE1-CG 4.19Å; Y726-R730 HydrophobicContact CE2-CG 4.03Å; Y726-R730 WeakPolarHBondContact O-CB 3.45Å; Y726-R730 VanDerWaalsContact O-CG 3.27Å; Y726-R730 WeakPolarHBondContact O-CG 3.33Å; Y726-R730 PolarHBondContact O-N 3.47Å; Y726-W733 HydrophobicContact CE2-CZ3 4.42Å |
| 727 | M | 97.3 | Very high | 93.9 | Very high | 61 Ų | 61 | 51.1 Ų | 51.1 | 30% | 0.3 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 168.8 | -64.9 | -56.8 | 97.7 | 0 | 0 | 110.5 | H723 E724 M729 R730 E731 | H723-M727 WeakPolarHBondContact O-CG 3.41Å; H723-M727 PolarHBondContact O-N 3.4Å; E724-M727 WeakPolarHBondContact O-CB 3.2Å; E724-M727 PolarHBondContact O-N 3.47Å; M727-M729 VanDerWaalsContact C-N 3.32Å; M727-M729 PolarHBondContact O-N 3.48Å; M727-R730 HydrophobicContact CE-CG 4.36Å; M727-R730 CarbonylContact O-C 3.6Å; M727-R730 WeakPolarHBondContact O-CA 3.43Å; M727-R730 WeakPolarHBondContact O-CB 3.29Å; M727-R730 PolarHBondContact O-N 2.98Å; M727-E731 WeakPolarHBondContact O-CG 3.42Å; M727-E731 PolarHBondContact O-N 3.24Å |
| 728 | I | 98 | Very high | 93.8 | Very high | 9 Ų | 9 | 51.7 Ų | 51.7 | 5% | 0.046 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.5 | -43 | 173.3 | -63.8 | 172.4 | 0 | 0 | 0 | 111.5 | L686 E724 L725 Y726 R730 E731 C732 L746 D749 I753 | L686-I728 HydrophobicContact CD1-CG2 4.04Å; E724-I728 PolarHBondContact O-N 3.31Å; L725-I728 PolarHBondContact O-N 3.03Å; Y726-I728 VanDerWaalsContact C-N 3.34Å; I728-R730 PolarHBondContact O-N 3.29Å; I728-E731 PolarHBondContact O-N 3.46Å; I728-C732 PolarHBondContact O-N 3Å; I728-C732 PolarHBondContact O-SG 3.07Å; I728-L746 HydrophobicContact CG2-CD2 3.4Å; I728-L746 VanDerWaalsContact CG2-CD2 3.4Å; I728-D749 HydrophobicContact CD1-CB 4.13Å; I728-I753 HydrophobicContact CD1-CD1 3.73Å |
| 729 | M | 98.4 | Very high | 94 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 172.7 | -65.1 | 174.5 | -160.3 | 0 | 0 | 112.1 | L686 W687 F690 P718 C721 L725 Y726 M727 C732 W733 | L686-M729 HydrophobicContact CB-CE 3.96Å; L686-M729 HydrophobicContact CB-CG 3.8Å; L686-M729 HydrophobicContact CB-SD 4.43Å; L686-M729 HydrophobicContact CD1-CG 4.02Å; W687-M729 HydrophobicContact CB-SD 4.14Å; F690-M729 HydrophobicContact CB-CE 4.15Å; F690-M729 HydrophobicContact CD2-CE 3.65Å; F690-M729 HydrophobicContact CG-CE 4.2Å; P718-M729 HydrophobicContact CG-CE 4.27Å; P718-M729 HydrophobicContact CG-SD 4.45Å; C721-M729 VanDerWaalsContact SG-CE 3.56Å; L725-M729 WeakPolarHBondContact O-CG 3.43Å; L725-M729 PolarHBondContact O-N 2.9Å; Y726-M729 HydrophobicContact CD2-CB 4.42Å; Y726-M729 HydrophobicContact CD2-SD 4.13Å; Y726-M729 WeakPolarHBondContact O-CB 3.37Å; Y726-M729 PolarHBondContact O-N 3.17Å; M727-M729 VanDerWaalsContact C-N 3.32Å; M727-M729 PolarHBondContact O-N 3.48Å; M729-C732 WeakPolarHBondContact O-CB 3.46Å; M729-C732 PolarHBondContact O-N 2.95Å; M729-W733 HydrophobicContact CB-CE3 4.43Å; M729-W733 HydrophobicContact CB-CH2 3.92Å; M729-W733 HydrophobicContact CB-CZ2 4.24Å; M729-W733 HydrophobicContact CB-CZ3 4.04Å; M729-W733 VanDerWaalsContact O-CD2 3.23Å; M729-W733 PolarHBondContact O-N 3.05Å; M729-W733 HydrophobicContact SD-CH2 4.34Å |
| 730 | R | 97.4 | Very high | 94.6 | Very high | 117 Ų | 117 | 53.3 Ų | 53.3 | 44% | 0.442 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.1 | -37.9 | -179.8 | -74.6 | -71.9 | -59.5 | -84.2 | -7.6 | 112.7 | Y726 M727 I728 W733 H734 | Y726-R730 HydrophobicContact CD2-CG 4.41Å; Y726-R730 HydrophobicContact CE1-CG 4.19Å; Y726-R730 HydrophobicContact CE2-CG 4.03Å; Y726-R730 WeakPolarHBondContact O-CB 3.45Å; Y726-R730 VanDerWaalsContact O-CG 3.27Å; Y726-R730 WeakPolarHBondContact O-CG 3.33Å; Y726-R730 PolarHBondContact O-N 3.47Å; M727-R730 HydrophobicContact CE-CG 4.36Å; M727-R730 CarbonylContact O-C 3.6Å; M727-R730 WeakPolarHBondContact O-CA 3.43Å; M727-R730 WeakPolarHBondContact O-CB 3.29Å; M727-R730 PolarHBondContact O-N 2.98Å; I728-R730 PolarHBondContact O-N 3.29Å; R730-W733 CarbonylContact O-C 3.57Å; R730-W733 PolarHBondContact O-N 3.03Å; R730-H734 PolarHBondContact O-N 3.22Å |
| 731 | E | 97.9 | Very high | 95.5 | Very high | 95 Ų | 95 | 51.1 Ų | 51.1 | 44% | 0.444 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.4 | -41.8 | 173.3 | -69.4 | 169.4 | 177 | 0 | 0 | 111.3 | M727 I728 W733 H734 P741 | M727-E731 WeakPolarHBondContact O-CG 3.42Å; M727-E731 PolarHBondContact O-N 3.24Å; I728-E731 PolarHBondContact O-N 3.46Å; E731-W733 PolarHBondContact O-N 2.84Å; E731-H734 VanDerWaalsContact O-CB 3.29Å; E731-H734 WeakPolarHBondContact O-CB 3.4Å; E731-H734 PolarHBondContact O-N 3.48Å; E731-H734 VanDerWaalsContact O-N 3.07Å; E731-P741 HydrophobicContact CB-CG 4.38Å |
| 732 | C | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.5 | -33.2 | 170.3 | -67.8 | 0 | 0 | 0 | 0 | 112.4 | V679 W680 I728 M729 H734 R740 | V679-C732 HydrophobicContact CG1-CB 4.09Å; W680-C732 WeakPolarHBondContact CA-O 3.33Å; I728-C732 PolarHBondContact O-N 3Å; I728-C732 PolarHBondContact O-SG 3.07Å; M729-C732 WeakPolarHBondContact O-CB 3.46Å; M729-C732 PolarHBondContact O-N 2.95Å; C732-H734 VanDerWaalsContact C-N 3.33Å; C732-R740 VanDerWaalsContact O-CD 3.23Å; C732-R740 WeakPolarHBondContact O-CD 3.43Å |
| 733 | W | 98.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 22 | 176 | -52.7 | -38.2 | 0 | 0 | 0 | 114.8 | W680 G683 V684 W687 R714 M715 Y726 M729 R730 E731 A735 | W680-W733 HydrophobicContact CD2-CB 4.49Å; W680-W733 AromaticContact CD2-CD1 3.82Å; W680-W733 AromaticContact CE2-CD1 3.94Å; W680-W733 VanDerWaalsContact CE3-CA 3.5Å; W680-W733 HydrophobicContact CE3-CB 4.04Å; W680-W733 HydrophobicContact CH2-CB 4.14Å; W680-W733 HydrophobicContact CZ3-CB 3.85Å; W680-W733 WeakPolarHBondContact CZ3-O 3.23Å; W680-W733 PolarHBondContact O-NE1 3.4Å; G683-W733 VanDerWaalsContact C-NE1 3.3Å; G683-W733 WeakPolarHBondContact O-CZ2 3.29Å; V684-W733 HydrophobicContact CG2-CZ2 4.43Å; W687-W733 HydrophobicContact CB-CH2 4.08Å; W687-W733 HydrophobicContact CB-CZ2 4.06Å; W687-W733 AromaticContact CD1-CH2 3.95Å; W687-W733 HydrophobicContact CG-CH2 4.27Å; R714-W733 HydrophobicContact CB-CE3 4.08Å; R714-W733 HydrophobicContact CG-CE3 4.43Å; R714-W733 PolarHBondContact NE-O 3.07Å; R714-W733 PolarHBondContact NH2-O 3.14Å; M715-W733 HydrophobicContact CB-CH2 4.08Å; M715-W733 HydrophobicContact CB-CZ3 4.27Å; M715-W733 HydrophobicContact CE-CH2 3.5Å; M715-W733 VanDerWaalsContact CE-CH2 3.5Å; M715-W733 HydrophobicContact CE-CZ2 3.27Å; M715-W733 HydrophobicContact CE-CZ3 4.47Å; Y726-W733 HydrophobicContact CE2-CZ3 4.42Å; M729-W733 HydrophobicContact CB-CE3 4.43Å; M729-W733 HydrophobicContact CB-CH2 3.92Å; M729-W733 HydrophobicContact CB-CZ2 4.24Å; M729-W733 HydrophobicContact CB-CZ3 4.04Å; M729-W733 VanDerWaalsContact O-CD2 3.23Å; M729-W733 PolarHBondContact O-N 3.05Å; M729-W733 HydrophobicContact SD-CH2 4.34Å; R730-W733 CarbonylContact O-C 3.57Å; R730-W733 PolarHBondContact O-N 3.03Å; E731-W733 PolarHBondContact O-N 2.84Å; W733-A735 PolarHBondContact O-N 2.87Å |
| 734 | H | 97.1 | Very high | 96.6 | Very high | 66 Ų | 66 | 52.2 Ų | 52.2 | 31% | 0.306 | 26% | 0.264 | S | S | . | . | trans | -60.7 | 138.5 | 173.3 | -163.1 | -87.4 | 0 | 0 | 0 | 111 | R730 E731 C732 I736 Q739 R740 | R730-H734 PolarHBondContact O-N 3.22Å; E731-H734 VanDerWaalsContact O-CB 3.29Å; E731-H734 WeakPolarHBondContact O-CB 3.4Å; E731-H734 PolarHBondContact O-N 3.48Å; E731-H734 VanDerWaalsContact O-N 3.07Å; C732-H734 VanDerWaalsContact C-N 3.33Å; H734-I736 PolarHBondContact ND1-N 3.36Å; H734-I736 VanDerWaalsContact ND1-N 3.15Å; H734-I736 PolarHBondContact ND1-O 3.38Å; H734-Q739 PolarHBondContact CE1-OE1 3.25Å; H734-Q739 PolarHBondContact ND1-OE1 3.5Å; H734-Q739 PolarHBondContact NE2-OE1 2.88Å; H734-R740 HydrophobicContact CB-CG 3.89Å; H734-R740 PolarHBondContact O-NE 3Å; H734-R740 PolarHBondContact O-NH2 3.46Å | ||
| 735 | A | 91.6 | Very high | 96.8 | Very high | 60 Ų | 60 | 52.1 Ų | 52.1 | 50% | 0.496 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -63.4 | -46.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | W733 P737 R740 | W733-A735 PolarHBondContact O-N 2.87Å; A735-P737 WeakPolarHBondContact O-CD 3.4Å; A735-R740 PolarHBondContact O-NH2 3.15Å |
| 736 | I | 91.4 | Very high | 96.9 | Very high | 81 Ų | 81 | 52 Ų | 52 | 42% | 0.415 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -77.9 | 118.8 | 175 | -58.3 | 173.2 | 0 | 0 | 0 | 109.1 | H734 S738 Q739 | H734-I736 PolarHBondContact ND1-N 3.36Å; H734-I736 VanDerWaalsContact ND1-N 3.15Å; H734-I736 PolarHBondContact ND1-O 3.38Å; I736-S738 VanDerWaalsContact C-N 3.34Å; I736-S738 WeakPolarHBondContact CG2-OG 3.49Å; I736-S738 PolarHBondContact O-N 2.88Å; I736-Q739 HydrophobicContact CB-CB 4.48Å; I736-Q739 HydrophobicContact CB-CG 4.33Å; I736-Q739 HydrophobicContact CG2-CG 4.19Å; I736-Q739 PolarHBondContact O-N 2.71Å |
| 737 | P | 93.8 | Very high | 97 | Very high | 37 Ų | 37 | 51.6 Ų | 51.6 | 24% | 0.24 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -62.9 | -33.3 | -174.1 | -24.3 | 33.8 | 0 | 0 | 0 | 114.9 | E666 Q676 A735 Q739 R740 | E666-P737 HydrophobicContact CG-CG 4.01Å; Q676-P737 HydrophobicContact CB-CB 3.76Å; Q676-P737 WeakPolarHBondContact CB-O 3.43Å; Q676-P737 HydrophobicContact CG-CB 4.44Å; Q676-P737 WeakPolarHBondContact CG-O 3.27Å; Q676-P737 PolarHBondContact NE2-O 3.06Å; A735-P737 WeakPolarHBondContact O-CD 3.4Å; P737-Q739 PolarHBondContact O-N 2.94Å; P737-R740 WeakPolarHBondContact O-CB 3.49Å; P737-R740 PolarHBondContact O-N 3.42Å |
| 738 | S | 93.5 | Very high | 97 | Very high | 101 Ų | 101 | 53 Ų | 53 | 71% | 0.706 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -72.7 | -9.4 | 179.3 | 53.4 | 0 | 0 | 0 | 0 | 114.5 | I736 | I736-S738 VanDerWaalsContact C-N 3.34Å; I736-S738 WeakPolarHBondContact CG2-OG 3.49Å; I736-S738 PolarHBondContact O-N 2.88Å |
| 739 | Q | 96.6 | Very high | 96.9 | Very high | 116 Ų | 116 | 54.3 Ų | 54.3 | 54% | 0.542 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -99.9 | -2.5 | 174.4 | -66 | -178.9 | -1.5 | 0 | 0 | 112.6 | H734 I736 P737 | H734-Q739 PolarHBondContact CE1-OE1 3.25Å; H734-Q739 PolarHBondContact ND1-OE1 3.5Å; H734-Q739 PolarHBondContact NE2-OE1 2.88Å; I736-Q739 HydrophobicContact CB-CB 4.48Å; I736-Q739 HydrophobicContact CB-CG 4.33Å; I736-Q739 HydrophobicContact CG2-CG 4.19Å; I736-Q739 PolarHBondContact O-N 2.71Å; P737-Q739 PolarHBondContact O-N 2.94Å |
| 740 | R | 98.4 | Very high | 96.9 | Very high | 6 Ų | 6 | 54.3 Ų | 54.3 | 2% | 0.023 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -75.2 | 146.3 | 168.3 | -55.3 | 172.4 | -171.1 | 151.1 | 11.8 | 109 | E666 Q676 V679 C732 H734 A735 P737 | E666-R740 IonicContact OE1-CZ 2.77Å; E666-R740 IonicContact OE1-NH1 3.32Å; E666-R740 PolarHBondContact OE1-NH1 3.32Å; E666-R740 IonicContact OE1-NH2 3.15Å; E666-R740 IonicContact OE2-CZ 2.72Å; E666-R740 IonicContact OE2-NH1 3.49Å; E666-R740 PolarHBondContact OE2-NH1 3.22Å; E666-R740 IonicContact OE2-NH2 2.75Å; E666-R740 PolarHBondContact OE2-NH2 3.5Å; Q676-R740 PolarHBondContact NE2-O 3.17Å; Q676-R740 WeakPolarHBondContact O-CD 3.49Å; Q676-R740 PolarHBondContact O-NH1 3.42Å; V679-R740 HydrophobicContact CG1-CB 3.89Å; C732-R740 VanDerWaalsContact O-CD 3.23Å; C732-R740 WeakPolarHBondContact O-CD 3.43Å; H734-R740 HydrophobicContact CB-CG 3.89Å; H734-R740 PolarHBondContact O-NE 3Å; H734-R740 PolarHBondContact O-NH2 3.46Å; A735-R740 PolarHBondContact O-NH2 3.15Å; P737-R740 WeakPolarHBondContact O-CB 3.49Å; P737-R740 PolarHBondContact O-N 3.42Å |
| 741 | P | 98.3 | Very high | 96.8 | Very high | 13 Ų | 13 | 52.3 Ų | 52.3 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 152.5 | 175.9 | 27.7 | -35.6 | 0 | 0 | 0 | 110.6 | V679 E731 Q745 L746 | V679-P741 HydrophobicContact CG1-CG 4.41Å; V679-P741 WeakPolarHBondContact CG1-O 3.25Å; V679-P741 WeakPolarHBondContact CG2-O 3.42Å; E731-P741 HydrophobicContact CB-CG 4.38Å; P741-Q745 HydrophobicContact CB-CB 4.24Å; P741-L746 HydrophobicContact CB-CD2 4.24Å; P741-L746 HydrophobicContact CB-CG 4.13Å; P741-L746 HydrophobicContact CG-CD1 4.34Å; P741-L746 HydrophobicContact CG-CD2 3.72Å; P741-L746 HydrophobicContact CG-CG 3.96Å |
| 742 | T | 98.3 | Very high | 96.6 | Very high | 60 Ų | 60 | 53.1 Ų | 53.1 | 37% | 0.368 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 158.2 | 168.9 | 60.9 | 0 | 0 | 0 | 0 | 110.4 | R744 Q745 L746 | T742-R744 PolarHBondContact O-N 2.95Å; T742-Q745 PolarHBondContact O-N 3.25Å; T742-Q745 WeakPolarHBondContact OG1-CG 3.4Å; T742-Q745 PolarHBondContact OG1-N 2.91Å; T742-Q745 PolarHBondContact OG1-OE1 3.37Å; T742-L746 PolarHBondContact O-N 2.88Å |
| 743 | F | 98.6 | Very high | 96.3 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.5 | -30.6 | 174.8 | -77.9 | -63.6 | 0 | 0 | 0 | 113.7 | M607 E608 A611 D678 V679 Y682 L746 V747 | M607-F743 HydrophobicContact CB-CD1 3.39Å; M607-F743 HydrophobicContact CB-CD2 3.9Å; M607-F743 HydrophobicContact CB-CE1 3.34Å; M607-F743 HydrophobicContact CB-CE2 3.85Å; M607-F743 HydrophobicContact CB-CG 3.68Å; M607-F743 HydrophobicContact CB-CZ 3.59Å; M607-F743 HydrophobicContact CE-CE2 3.75Å; M607-F743 HydrophobicContact CE-CZ 3.7Å; M607-F743 HydrophobicContact CG-CD1 4.32Å; M607-F743 HydrophobicContact CG-CE1 3.8Å; M607-F743 HydrophobicContact CG-CZ 3.92Å; E608-F743 HydrophobicContact CB-CB 3.96Å; A611-F743 HydrophobicContact CB-CD2 4.35Å; D678-F743 HydrophobicContact CB-CE2 3.9Å; D678-F743 HydrophobicContact CB-CZ 3.98Å; V679-F743 HydrophobicContact CB-CZ 4.39Å; V679-F743 HydrophobicContact CG2-CD1 4.43Å; V679-F743 HydrophobicContact CG2-CD2 3.91Å; V679-F743 HydrophobicContact CG2-CE1 4.18Å; V679-F743 HydrophobicContact CG2-CE2 3.63Å; V679-F743 HydrophobicContact CG2-CG 4.3Å; V679-F743 HydrophobicContact CG2-CZ 3.77Å; Y682-F743 HydrophobicContact CD1-CE1 4.25Å; Y682-F743 HydrophobicContact CD2-CE1 4.1Å; Y682-F743 AromaticContact CG-CE1 3.74Å; Y682-F743 HydrophobicContact CG-CE1 3.74Å; F743-L746 HydrophobicContact CD1-CD1 3.87Å; F743-L746 HydrophobicContact CE1-CD1 4.18Å; F743-L746 PolarHBondContact O-N 3.32Å; F743-V747 WeakPolarHBondContact O-CG2 3.35Å; F743-V747 PolarHBondContact O-N 3.37Å |
| 744 | R | 98.1 | Very high | 96 | Very high | 151 Ų | 151 | 54.8 Ų | 54.8 | 57% | 0.57 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.1 | -48.7 | 172.1 | 176.6 | 177.7 | 166.7 | 146.3 | 8.7 | 112.2 | E608 T742 L746 V747 E748 | E608-R744 HydrophobicContact CG-CB 4.39Å; E608-R744 WeakPolarHBondContact OE1-CA 3.49Å; E608-R744 WeakPolarHBondContact OE1-CB 3.47Å; E608-R744 WeakPolarHBondContact OE1-CG 3.3Å; T742-R744 PolarHBondContact O-N 2.95Å; R744-L746 VanDerWaalsContact C-N 3.32Å; R744-L746 PolarHBondContact O-N 2.93Å; R744-V747 WeakPolarHBondContact O-CB 3.37Å; R744-V747 PolarHBondContact O-N 3.26Å; R744-E748 IonicContact CZ-OE1 3.7Å; R744-E748 VanDerWaalsContact CZ-OE1 3.28Å; R744-E748 IonicContact NE-OE1 2.94Å; R744-E748 PolarHBondContact NE-OE1 3.5Å; R744-E748 IonicContact NH2-OE1 2.88Å; R744-E748 PolarHBondContact NH2-OE1 3.36Å; R744-E748 WeakPolarHBondContact O-CG 3.36Å; R744-E748 PolarHBondContact O-N 3.44Å |
| 745 | Q | 98.2 | Very high | 95.7 | Very high | 87 Ų | 87 | 54.6 Ų | 54.6 | 41% | 0.407 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 177 | -70.9 | 162.8 | -67.7 | 0 | 0 | 110.8 | P741 T742 V747 E748 D749 | P741-Q745 HydrophobicContact CB-CB 4.24Å; T742-Q745 PolarHBondContact O-N 3.25Å; T742-Q745 WeakPolarHBondContact OG1-CG 3.4Å; T742-Q745 PolarHBondContact OG1-N 2.91Å; T742-Q745 PolarHBondContact OG1-OE1 3.37Å; Q745-V747 VanDerWaalsContact C-N 3.29Å; Q745-V747 PolarHBondContact O-N 2.97Å; Q745-E748 CarbonylContact O-C 3.59Å; Q745-E748 PolarHBondContact O-N 3.29Å; Q745-E748 VanDerWaalsContact O-N 3.09Å; Q745-D749 PolarHBondContact O-N 2.92Å |
| 746 | L | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.5 | -38 | 174.4 | -68.8 | 169.3 | 0 | 0 | 0 | 112.9 | A604 V679 Y682 I728 P741 T742 F743 R744 L750 | A604-L746 HydrophobicContact CB-CB 4.48Å; V679-L746 HydrophobicContact CG1-CD1 4.23Å; Y682-L746 HydrophobicContact CD1-CD1 3.68Å; Y682-L746 HydrophobicContact CE1-CD1 3.94Å; Y682-L746 HydrophobicContact CE1-CD2 4.35Å; I728-L746 HydrophobicContact CG2-CD2 3.4Å; I728-L746 VanDerWaalsContact CG2-CD2 3.4Å; P741-L746 HydrophobicContact CB-CD2 4.24Å; P741-L746 HydrophobicContact CB-CG 4.13Å; P741-L746 HydrophobicContact CG-CD1 4.34Å; P741-L746 HydrophobicContact CG-CD2 3.72Å; P741-L746 HydrophobicContact CG-CG 3.96Å; T742-L746 PolarHBondContact O-N 2.88Å; F743-L746 HydrophobicContact CD1-CD1 3.87Å; F743-L746 HydrophobicContact CE1-CD1 4.18Å; F743-L746 PolarHBondContact O-N 3.32Å; R744-L746 VanDerWaalsContact C-N 3.32Å; R744-L746 PolarHBondContact O-N 2.93Å; L746-L750 VanDerWaalsContact O-CB 3.26Å; L746-L750 WeakPolarHBondContact O-CB 3.49Å; L746-L750 WeakPolarHBondContact O-CD1 3.34Å; L746-L750 WeakPolarHBondContact O-CG 3.4Å; L746-L750 PolarHBondContact O-N 3.49Å |
| 747 | V | 98.6 | Very high | 94.8 | Very high | 17 Ų | 17 | 54.2 Ų | 54.2 | 10% | 0.103 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.7 | -47.9 | 172.5 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | Y601 A604 R605 E608 F743 R744 Q745 D749 L750 D751 | Y601-V747 HydrophobicContact CE2-CG1 4.04Å; A604-V747 HydrophobicContact CB-CG2 3.69Å; R605-V747 HydrophobicContact CB-CG2 4.33Å; R605-V747 HydrophobicContact CG-CB 4.43Å; R605-V747 HydrophobicContact CG-CG1 3.8Å; R605-V747 HydrophobicContact CG-CG2 3.66Å; E608-V747 HydrophobicContact CB-CG2 4.2Å; F743-V747 WeakPolarHBondContact O-CG2 3.35Å; F743-V747 PolarHBondContact O-N 3.37Å; R744-V747 WeakPolarHBondContact O-CB 3.37Å; R744-V747 PolarHBondContact O-N 3.26Å; Q745-V747 VanDerWaalsContact C-N 3.29Å; Q745-V747 PolarHBondContact O-N 2.97Å; V747-D749 PolarHBondContact O-N 3.3Å; V747-L750 PolarHBondContact O-N 2.97Å; V747-D751 VanDerWaalsContact O-CB 3.3Å; V747-D751 WeakPolarHBondContact O-CB 3.36Å; V747-D751 PolarHBondContact O-N 3.4Å |
| 748 | E | 97.7 | Very high | 93.6 | Very high | 90 Ų | 90 | 54.9 Ų | 54.9 | 42% | 0.421 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.8 | -37.7 | 179.5 | -69.8 | 172.1 | -179.5 | 0 | 0 | 112.7 | R744 Q745 R752 | R744-E748 IonicContact CZ-OE1 3.7Å; R744-E748 VanDerWaalsContact CZ-OE1 3.28Å; R744-E748 IonicContact NE-OE1 2.94Å; R744-E748 PolarHBondContact NE-OE1 3.5Å; R744-E748 IonicContact NH2-OE1 2.88Å; R744-E748 PolarHBondContact NH2-OE1 3.36Å; R744-E748 WeakPolarHBondContact O-CG 3.36Å; R744-E748 PolarHBondContact O-N 3.44Å; Q745-E748 CarbonylContact O-C 3.59Å; Q745-E748 PolarHBondContact O-N 3.29Å; Q745-E748 VanDerWaalsContact O-N 3.09Å; E748-R752 PolarHBondContact O-N 2.77Å |
| 749 | D | 96.4 | Very high | 92 | Very high | 36 Ų | 36 | 54 Ų | 54 | 19% | 0.193 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -74.4 | -42.5 | 176.7 | -69.5 | -44.5 | 0 | 0 | 0 | 112.4 | I728 Q745 V747 R752 I753 | I728-D749 HydrophobicContact CD1-CB 4.13Å; Q745-D749 PolarHBondContact O-N 2.92Å; V747-D749 PolarHBondContact O-N 3.3Å; D749-R752 WeakPolarHBondContact O-CB 3.39Å; D749-R752 PolarHBondContact O-N 3Å; D749-R752 IonicContact OD1-CZ 3.46Å; D749-R752 IonicContact OD1-NH1 2.89Å; D749-R752 PolarHBondContact OD1-NH1 2.94Å; D749-R752 IonicContact OD1-NH2 3.39Å; D749-R752 PolarHBondContact OD1-NH2 3.31Å; D749-I753 WeakPolarHBondContact O-CG1 3.46Å; D749-I753 PolarHBondContact O-N 3.45Å; D749-I753 VanDerWaalsContact O-N 3.09Å |
| 750 | L | 96.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.7 | -31.9 | 179.2 | -70.6 | 166.6 | 0 | 0 | 0 | 112.7 | A600 Y601 A604 Y682 L725 L746 V747 R752 I753 L754 | A600-L750 HydrophobicContact CB-CD1 4.24Å; A600-L750 HydrophobicContact CB-CD2 4.31Å; Y601-L750 HydrophobicContact CD2-CB 4.08Å; A604-L750 HydrophobicContact CB-CD1 3.97Å; Y682-L750 HydrophobicContact CE1-CD1 4.47Å; Y682-L750 WeakPolarHBondContact OH-CD1 3.42Å; L725-L750 HydrophobicContact CD2-CD2 3.67Å; L746-L750 VanDerWaalsContact O-CB 3.26Å; L746-L750 WeakPolarHBondContact O-CB 3.49Å; L746-L750 WeakPolarHBondContact O-CD1 3.34Å; L746-L750 WeakPolarHBondContact O-CG 3.4Å; L746-L750 PolarHBondContact O-N 3.49Å; V747-L750 PolarHBondContact O-N 2.97Å; L750-R752 VanDerWaalsContact C-N 3.33Å; L750-I753 PolarHBondContact O-N 2.93Å; L750-L754 VanDerWaalsContact O-CB 3.26Å; L750-L754 WeakPolarHBondContact O-CB 3.45Å; L750-L754 PolarHBondContact O-N 2.82Å |
| 751 | D | 95.3 | Very high | 87.7 | Confident | 75 Ų | 75 | 59.1 Ų | 59.1 | 40% | 0.401 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 171.6 | -156.6 | 77.2 | 0 | 0 | 0 | 110.7 | Y601 V747 L754 S755 | Y601-D751 HydrophobicContact CD2-CB 4.33Å; Y601-D751 HydrophobicContact CE2-CB 3.72Å; Y601-D751 WeakPolarHBondContact CE2-OD1 3.43Å; Y601-D751 PolarHBondContact OH-OD1 3.34Å; V747-D751 VanDerWaalsContact O-CB 3.3Å; V747-D751 WeakPolarHBondContact O-CB 3.36Å; V747-D751 PolarHBondContact O-N 3.4Å; D751-L754 PolarHBondContact O-N 3.23Å; D751-S755 WeakPolarHBondContact O-CB 3.47Å; D751-S755 PolarHBondContact O-N 3.02Å; D751-S755 PolarHBondContact O-OG 3.01Å |
| 752 | R | 94.6 | Very high | 85.1 | Confident | 113 Ų | 113 | 68.4 Ų | 68.4 | 43% | 0.426 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.2 | -53.4 | 175.1 | -166.3 | -169 | -50.6 | 123.9 | 15 | 111.1 | E748 D749 L750 L754 S755 M756 | E748-R752 PolarHBondContact O-N 2.77Å; D749-R752 WeakPolarHBondContact O-CB 3.39Å; D749-R752 PolarHBondContact O-N 3Å; D749-R752 IonicContact OD1-CZ 3.46Å; D749-R752 IonicContact OD1-NH1 2.89Å; D749-R752 PolarHBondContact OD1-NH1 2.94Å; D749-R752 IonicContact OD1-NH2 3.39Å; D749-R752 PolarHBondContact OD1-NH2 3.31Å; L750-R752 VanDerWaalsContact C-N 3.33Å; R752-L754 VanDerWaalsContact C-N 3.31Å; R752-L754 PolarHBondContact O-N 3.18Å; R752-S755 PolarHBondContact O-N 3.32Å; R752-S755 PolarHBondContact O-OG 2.93Å; R752-M756 HydrophobicContact CG-SD 4.36Å; R752-M756 WeakPolarHBondContact O-CG 3.34Å; R752-M756 PolarHBondContact O-N 3.24Å |
| 753 | I | 93.2 | Very high | 82.4 | Confident | 6 Ų | 6 | 71.9 Ų | 71.9 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.8 | -41.5 | 179.4 | -64.4 | 167.9 | 0 | 0 | 0 | 111.1 | V597 E724 L725 I728 D749 L750 M756 T757 | V597-I753 HydrophobicContact CG1-CB 4.44Å; V597-I753 HydrophobicContact CG1-CG2 4.02Å; V597-I753 HydrophobicContact CG2-CG2 4.2Å; E724-I753 HydrophobicContact CG-CD1 4.06Å; L725-I753 HydrophobicContact CD2-CD1 3.81Å; L725-I753 HydrophobicContact CG-CD1 4.21Å; I728-I753 HydrophobicContact CD1-CD1 3.73Å; D749-I753 WeakPolarHBondContact O-CG1 3.46Å; D749-I753 PolarHBondContact O-N 3.45Å; D749-I753 VanDerWaalsContact O-N 3.09Å; L750-I753 PolarHBondContact O-N 2.93Å; I753-M756 PolarHBondContact O-N 2.79Å; I753-T757 WeakPolarHBondContact O-CB 3.41Å; I753-T757 PolarHBondContact O-N 3.38Å; I753-T757 PolarHBondContact O-OG1 2.84Å |
| 754 | L | 91.9 | Very high | 79.5 | Confident | 30 Ų | 30 | 76.8 Ų | 76.8 | 16% | 0.157 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67 | -38 | 178.9 | -170.6 | 63.8 | 0 | 0 | 0 | 112.6 | K594 V597 Y601 L750 D751 R752 S758 | K594-L754 HydrophobicContact CG-CD1 4.02Å; V597-L754 HydrophobicContact CB-CD1 4.29Å; V597-L754 HydrophobicContact CG1-CB 3.97Å; V597-L754 HydrophobicContact CG1-CD1 4.04Å; Y601-L754 HydrophobicContact CD1-CD2 4.2Å; Y601-L754 HydrophobicContact CG-CD2 4.41Å; L750-L754 VanDerWaalsContact O-CB 3.26Å; L750-L754 WeakPolarHBondContact O-CB 3.45Å; L750-L754 PolarHBondContact O-N 2.82Å; D751-L754 PolarHBondContact O-N 3.23Å; R752-L754 VanDerWaalsContact C-N 3.31Å; R752-L754 PolarHBondContact O-N 3.18Å; L754-S758 WeakPolarHBondContact O-CB 3.27Å; L754-S758 PolarHBondContact O-N 3.15Å; L754-S758 VanDerWaalsContact O-N 3.09Å; L754-S758 PolarHBondContact O-OG 3.16Å |
| 755 | S | 89.4 | Confident | 76.7 | Confident | 61 Ų | 61 | 77.9 Ų | 77.9 | 43% | 0.427 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -70.4 | -37.1 | 177.2 | 69.6 | 0 | 0 | 0 | 0 | 112.9 | D751 R752 S758 T759 | D751-S755 WeakPolarHBondContact O-CB 3.47Å; D751-S755 PolarHBondContact O-N 3.02Å; D751-S755 PolarHBondContact O-OG 3.01Å; R752-S755 PolarHBondContact O-N 3.32Å; R752-S755 PolarHBondContact O-OG 2.93Å; S755-S758 PolarHBondContact O-N 3.43Å; S755-T759 PolarHBondContact O-N 2.69Å; S755-T759 PolarHBondContact O-OG1 2.75Å |
| 756 | M | 84.8 | Confident | 73.8 | Confident | 108 Ų | 108 | 78.4 Ų | 78.4 | 53% | 0.532 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.5 | -49.3 | 172.8 | -68.2 | 178.3 | 68 | 0 | 0 | 111.1 | R752 I753 S758 T759 D760 | R752-M756 HydrophobicContact CG-SD 4.36Å; R752-M756 WeakPolarHBondContact O-CG 3.34Å; R752-M756 PolarHBondContact O-N 3.24Å; I753-M756 PolarHBondContact O-N 2.79Å; M756-S758 PolarHBondContact O-N 3.48Å; M756-S758 VanDerWaalsContact O-N 3.14Å; M756-T759 WeakPolarHBondContact O-CB 3.31Å; M756-T759 PolarHBondContact O-N 3.39Å; M756-D760 PolarHBondContact O-N 2.81Å |
| 757 | T | 79.9 | Confident | 70.7 | Confident | 26 Ų | 26 | 84.7 Ų | 84.7 | 16% | 0.16 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -56.8 | -32.3 | 176.7 | -51.1 | 0 | 0 | 0 | 0 | 112.5 | F593 K594 I753 T759 | F593-T757 HydrophobicContact CD1-CG2 4.13Å; K594-T757 HydrophobicContact CB-CG2 3.88Å; K594-T757 HydrophobicContact CG-CG2 4.1Å; I753-T757 WeakPolarHBondContact O-CB 3.41Å; I753-T757 PolarHBondContact O-N 3.38Å; I753-T757 PolarHBondContact O-OG1 2.84Å; T757-T759 VanDerWaalsContact C-N 3.29Å; T757-T759 PolarHBondContact O-N 3.4Å |
| 758 | S | 69.6 | Low | 68.3 | Low | 50 Ų | 50 | 89 Ų | 89 | 35% | 0.35 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -78 | -12.6 | 177.8 | -56.3 | 0 | 0 | 0 | 0 | 113.9 | K594 L754 S755 M756 | K594-S758 VanDerWaalsContact CE-OG 3.26Å; K594-S758 WeakPolarHBondContact CE-OG 3.48Å; L754-S758 WeakPolarHBondContact O-CB 3.27Å; L754-S758 PolarHBondContact O-N 3.15Å; L754-S758 VanDerWaalsContact O-N 3.09Å; L754-S758 PolarHBondContact O-OG 3.16Å; S755-S758 PolarHBondContact O-N 3.43Å; M756-S758 PolarHBondContact O-N 3.48Å; M756-S758 VanDerWaalsContact O-N 3.14Å |
| 759 | T | 59.4 | Low | 64.9 | Low | 83 Ų | 83 | 93.5 Ų | 93.5 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -94.5 | -36.6 | -178.7 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | S755 M756 T757 E761 Y762 | S755-T759 PolarHBondContact O-N 2.69Å; S755-T759 PolarHBondContact O-OG1 2.75Å; M756-T759 WeakPolarHBondContact O-CB 3.31Å; M756-T759 PolarHBondContact O-N 3.39Å; T757-T759 VanDerWaalsContact C-N 3.29Å; T757-T759 PolarHBondContact O-N 3.4Å; T759-E761 VanDerWaalsContact C-N 3.28Å; T759-E761 PolarHBondContact O-N 2.99Å; T759-Y762 WeakPolarHBondContact O-CB 3.38Å; T759-Y762 PolarHBondContact O-N 2.89Å |
| 760 | D | 55.6 | Low | 61.8 | Low | 112 Ų | 112 | 98 Ų | 98 | 60% | 0.599 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.1 | -32.9 | 176.6 | -70.8 | -26.7 | 0 | 0 | 0 | 112.3 | M756 Y762 L763 | M756-D760 PolarHBondContact O-N 2.81Å; D760-Y762 PolarHBondContact O-N 3.29Å; D760-Y762 VanDerWaalsContact O-N 3.1Å; D760-L763 PolarHBondContact O-N 3.46Å |
| 761 | E | 49.4 | Very low | 58.6 | Low | 117 Ų | 117 | 104.4 Ų | 104.4 | 55% | 0.547 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -16.9 | 172.7 | -75.1 | 176.7 | 169.9 | 0 | 0 | 114 | K594 T759 | K594-E761 WeakPolarHBondContact CD-OE1 3.44Å; K594-E761 IonicContact NZ-OE1 2.76Å; K594-E761 IonicContact NZ-OE2 2.77Å; K594-E761 PolarHBondContact NZ-OE2 3.3Å; T759-E761 VanDerWaalsContact C-N 3.28Å; T759-E761 PolarHBondContact O-N 2.99Å |
| 762 | Y | 42.4 | Very low | 55.3 | Low | 208 Ų | 208 | 110.4 Ų | 110.4 | 82% | 0.816 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -9 | 177.2 | -167.5 | -98.5 | 0 | 0 | 0 | 113.3 | T759 D760 | T759-Y762 WeakPolarHBondContact O-CB 3.38Å; T759-Y762 PolarHBondContact O-N 2.89Å; D760-Y762 PolarHBondContact O-N 3.29Å; D760-Y762 VanDerWaalsContact O-N 3.1Å |
| 763 | L | 41.1 | Very low | 52.5 | Low | 133 Ų | 133 | 110.6 Ų | 110.6 | 70% | 0.696 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | -3 | -175.2 | -77.4 | 168 | 0 | 0 | 0 | 114.4 | D760 L765 | D760-L763 PolarHBondContact O-N 3.46Å; L763-L765 PolarHBondContact O-N 2.83Å; L763-L765 VanDerWaalsContact O-N 3.11Å |
| 764 | D | 39.5 | Very low | 49.5 | Very low | 110 Ų | 110 | 115.7 Ų | 115.7 | 59% | 0.588 | 61% | 0.612 | S | S | * | * | trans | -81.1 | 92.1 | 177 | -164.9 | -0.7 | 0 | 0 | 0 | 112.4 | S766 | D764-S766 PolarHBondContact OD1-N 2.89Š| ||
| 765 | L | 39.2 | Very low | 46.4 | Very low | 174 Ų | 174 | 120 Ų | 120 | 91% | 0.911 | 64% | 0.64 | S | S | * | * | trans | -117.5 | 46.6 | 167 | -82.8 | 173.4 | 0 | 0 | 0 | 110.8 | L763 | L763-L765 PolarHBondContact O-N 2.83Å; L763-L765 VanDerWaalsContact O-N 3.11Å | ||
| 766 | S | 36.1 | Very low | 43.4 | Very low | 97 Ų | 97 | 122.9 Ų | 122.9 | 68% | 0.678 | 66% | 0.659 | S | S | * | * | trans | -147.9 | 86.8 | 176.1 | 53.3 | 0 | 0 | 0 | 0 | 116.2 | D764 | D764-S766 PolarHBondContact OD1-N 2.89Š| ||
| 767 | V | 33.6 | Very low | 40.6 | Very low | 132 Ų | 132 | 126.4 Ų | 126.4 | 80% | 0.8 | 67% | 0.674 | S | S | * | * | trans | -150.7 | 156.7 | 152.3 | -111.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 768 | P | 48.2 | Very low | 38.2 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 70% | 0.695 | 70% | 0.702 | S | S | * | * | cis | -134.9 | 168.9 | -8.1 | 38.7 | -22.1 | 0 | 0 | 0 | 114.8 | ||||
| 769 | F | 26.9 | Very low | 36.3 | Very low | 185 Ų | 185 | 135.1 Ų | 135.1 | 81% | 0.811 | 73% | 0.725 | S | S | * | * | -168.3 | 170.2 | 115.8 | -132.9 | -99.3 | 0 | 0 | 0 | 113.9 | |||||
| 770 | E | 31.1 | Very low | 34.9 | Very low | 132 Ų | 132 | 138.5 Ų | 138.5 | 62% | 0.617 | 74% | 0.74 | S | S | * | * | trans | -87.6 | -178.2 | -162.5 | -44.5 | 178.4 | 131.7 | 0 | 0 | 117.7 | ||||
| 771 | Q | 28.6 | Very low | 33.7 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 63% | 0.626 | 75% | 0.749 | S | S | * | * | trans | 71.6 | 107.6 | 146.1 | -75.4 | 177.9 | 32 | 0 | 0 | 119.5 | ||||
| 772 | Y | 27.1 | Very low | 32.7 | Very low | 200 Ų | 200 | 139 Ų | 139 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | 173.7 | 137 | 96.6 | -104.4 | -82.4 | 0 | 0 | 0 | 110.7 | |||||
| 773 | S | 34.6 | Very low | 32 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | -92 | 140.5 | 163.5 | -54.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 774 | P | 31.8 | Very low | 31.5 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -130.3 | 123.5 | 148.7 | 23.5 | -4.8 | 0 | 0 | 0 | 113.4 | ||||
| 775 | T | 26 | Very low | 31.2 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | 13.5 | 131.4 | 141.6 | 53.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 776 | C | 26 | Very low | 30.7 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 47.5 | 145.7 | 135.2 | -51.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 777 | Q | 27.2 | Very low | 30.4 | Very low | 181 Ų | 181 | 132.5 Ų | 132.5 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | cis | -166.5 | 177.6 | 34.7 | -150.4 | 166.2 | 14.5 | 0 | 0 | 110.7 | ||||
| 778 | D | 28.6 | Very low | 30.4 | Very low | 139 Ų | 139 | 133 Ų | 133 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | trans | -61 | 151.6 | -170.7 | -52.6 | -80.8 | 0 | 0 | 0 | 117.7 | ||||
| 779 | S | 30.2 | Very low | 29.7 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -157 | 131.7 | 145.9 | -81.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 780 | N | 29.7 | Very low | 29.9 | Very low | 153 Ų | 153 | 129.3 Ų | 129.3 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -77 | 149.1 | -170.1 | -59.1 | -58.9 | 0 | 0 | 0 | 114.4 | ||||
| 781 | S | 31.2 | Very low | 29.6 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | 179.2 | 100.4 | 117.9 | 35.4 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 782 | T | 28.3 | Very low | 29.7 | Very low | 128 Ų | 128 | 131 Ų | 131 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | 44.5 | 125.1 | 122.6 | -33.7 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 783 | C | 27.6 | Very low | 29.9 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | trans | 78.3 | 118.1 | 142 | 73.6 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 784 | S | 29.8 | Very low | 29.6 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | 62.4 | 120.8 | 127.2 | -59.1 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 785 | S | 34.2 | Very low | 29.4 | Very low | 126 Ų | 126 | 130 Ų | 130 | 88% | 0.881 | 78% | 0.783 | S | S | * | * | trans | -136 | 146 | 130.9 | 52.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 786 | G | 27.7 | Very low | 29.4 | Very low | 73 Ų | 73 | 132.1 Ų | 132.1 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | -115.3 | -171.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 787 | D | 30.7 | Very low | 30.2 | Very low | 157 Ų | 157 | 130.6 Ų | 130.6 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | -76.7 | 157.3 | -162.9 | -59.1 | -66.5 | 0 | 0 | 0 | 117.4 | ||||
| 788 | D | 32.2 | Very low | 30.3 | Very low | 143 Ų | 143 | 129 Ų | 129 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | trans | 88.3 | 124.9 | 130.9 | -104.7 | -37.2 | 0 | 0 | 0 | 125.6 | ||||
| 789 | S | 34.2 | Very low | 30.4 | Very low | 90 Ų | 90 | 130.8 Ų | 130.8 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | trans | 78.6 | 107.5 | 130.6 | -79.3 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 790 | V | 31 | Very low | 30.8 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | 46.1 | 115.2 | 122.2 | -172.9 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 791 | F | 26.1 | Very low | 30.7 | Very low | 218 Ų | 218 | 128.6 Ų | 128.6 | 96% | 0.956 | 77% | 0.772 | S | S | * | * | -159.8 | 161.5 | 129.4 | -100.9 | -71.6 | 0 | 0 | 0 | 110.2 | |||||
| 792 | A | 29.1 | Very low | 30.6 | Very low | 82 Ų | 82 | 131.1 Ų | 131.1 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | trans | -102 | 166.7 | -160.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 793 | H | 32.3 | Very low | 31.2 | Very low | 178 Ų | 178 | 130.2 Ų | 130.2 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | -177.6 | 118.6 | 130.7 | -94.4 | -58.9 | 0 | 0 | 0 | 115.3 | ||||
| 794 | D | 28.8 | Very low | 31.2 | Very low | 135 Ų | 135 | 135.3 Ų | 135.3 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | 30.8 | 110.2 | 140.9 | -54.6 | -46.9 | 0 | 0 | 0 | 125.9 | ||||
| 795 | S | 27.2 | Very low | 31.2 | Very low | 97 Ų | 97 | 138.4 Ų | 138.4 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | 52.8 | 115.1 | 124.1 | 67.6 | 0 | 0 | 0 | 0 | 126.6 | |||||
| 796 | L | 25.3 | Very low | 31.5 | Very low | 166 Ų | 166 | 137.6 Ų | 137.6 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | 70 | 162.5 | 123.8 | -71.3 | -179.5 | 0 | 0 | 0 | 122.4 | |||||
| 797 | P | 43.1 | Very low | 31.7 | Very low | 90 Ų | 90 | 140 Ų | 140 | 58% | 0.584 | 78% | 0.777 | S | S | * | * | cis | -136.6 | -169.8 | -12.3 | 32.8 | -9.7 | 0 | 0 | 0 | 116.6 | ||||
| 798 | D | 30.3 | Very low | 31.8 | Very low | 147 Ų | 147 | 137.3 Ų | 137.3 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | 71.6 | 144.4 | 153.2 | -59.6 | -22.7 | 0 | 0 | 0 | 121.4 | ||||
| 799 | E | 30.3 | Very low | 31.7 | Very low | 176 Ų | 176 | 138.6 Ų | 138.6 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | cis | -158.4 | -158.8 | -27.5 | -144.9 | -154.3 | 167.3 | 0 | 0 | 108.3 | ||||
| 800 | P | 38.9 | Very low | 31.6 | Very low | 97 Ų | 97 | 138.4 Ų | 138.4 | 63% | 0.63 | 78% | 0.781 | S | S | * | * | trans | -111.1 | 174 | -137.7 | 40.7 | -23.9 | 0 | 0 | 0 | 116.1 | ||||
| 801 | C | 27.5 | Very low | 31.6 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 89% | 0.892 | 78% | 0.783 | S | S | * | * | trans | -176.7 | 125.6 | 137 | -97.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 802 | L | 29.2 | Very low | 32.1 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | -85.2 | -176.6 | 156.9 | -80.4 | 166.7 | 0 | 0 | 0 | 109.8 | ||||
| 803 | P | 40.2 | Very low | 32.4 | Very low | 108 Ų | 108 | 142 Ų | 142 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | cis | -128.8 | 168.1 | -38.9 | 34.8 | -21 | 0 | 0 | 0 | 111.9 | ||||
| 804 | K | 27.2 | Very low | 32.8 | Very low | 215 Ų | 215 | 143.7 Ų | 143.7 | 94% | 0.935 | 80% | 0.803 | S | S | * | * | trans | -145.7 | 116.3 | 155.2 | -72.1 | -165.2 | 179.6 | 175.4 | 0 | 114.3 | ||||
| 805 | Q | 30 | Very low | 33 | Very low | 187 Ų | 187 | 144.1 Ų | 144.1 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -122.8 | 169.4 | 150.5 | -83.8 | -171 | -12.9 | 0 | 0 | 107.2 | ||||
| 806 | P | 40.4 | Very low | 33.3 | Very low | 108 Ų | 108 | 146.6 Ų | 146.6 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | cis | -116.6 | -157.5 | -41.2 | 31.9 | -14.1 | 0 | 0 | 0 | 108.8 | ||||
| 807 | P | 32.5 | Very low | 33.7 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | -142 | 146.2 | 100.6 | 36.6 | -23.5 | 0 | 0 | 0 | 114.8 | |||||
| 808 | S | 31.3 | Very low | 33.2 | Very low | 101 Ų | 101 | 148.8 Ų | 148.8 | 71% | 0.706 | 83% | 0.825 | S | S | * | * | trans | -69.4 | 140.5 | 162.2 | 51.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 809 | N | 30.9 | Very low | 33.3 | Very low | 170 Ų | 170 | 148.9 Ų | 148.9 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | trans | -150.3 | 144.3 | 141.7 | -110.3 | -22.6 | 0 | 0 | 0 | 111 | ||||
| 810 | A | 31.7 | Very low | 33.5 | Very low | 86 Ų | 86 | 147.1 Ų | 147.1 | 71% | 0.711 | 83% | 0.827 | S | S | * | * | trans | -83.6 | 166 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 811 | V | 31.9 | Very low | 33.2 | Very low | 130 Ų | 130 | 150.6 Ų | 150.6 | 79% | 0.788 | 84% | 0.841 | S | S | * | * | 168.1 | 107.4 | 111.5 | 161.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 812 | I | 36.3 | Very low | 33.6 | Very low | 137 Ų | 137 | 152.1 Ų | 152.1 | 70% | 0.703 | 84% | 0.837 | S | S | * | * | trans | 35.7 | 119.5 | 131.5 | -53.3 | 179.2 | 0 | 0 | 0 | 120.1 | ||||
| 813 | R | 35.3 | Very low | 34 | Very low | 231 Ų | 231 | 150.9 Ų | 150.9 | 87% | 0.872 | 84% | 0.835 | S | S | * | * | trans | 58.4 | 118.7 | 150.4 | -67.9 | 171 | 178 | 169.9 | -1.8 | 120.1 | ||||
| 814 | T | 39.9 | Very low | 33.4 | Very low | 214 Ų | 214 | 154.8 Ų | 154.8 | 100% | 1.313 | 85% | 0.847 | S | S | * | * | -130.8 | 0 | 91.7 | 41.1 | 0 | 0 | 0 | 0 | 109.5 |
Retrieved 814 of 814 residues in 846.7 ms
(Link to these results)