| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32.5 | Very low | 40.4 | Very low | 228 Ų | 228 | 142.1 Ų | 142.1 | 100% | 1.123 | 77% | 0.769 | S | S | * | * | 0 | 97.5 | 0 | -51.1 | -55.6 | -176.3 | 0 | 0 | 106.6 | |||||
| 2 | D | 36.1 | Very low | 40.2 | Very low | 146 Ų | 146 | 140.9 Ų | 140.9 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | cis | -165.5 | 170.9 | 3.6 | -122 | -4.4 | 0 | 0 | 0 | 105.9 | ||||
| 3 | P | 45.5 | Very low | 40 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | -118.1 | 166.7 | -116.7 | 27 | -7.7 | 0 | 0 | 0 | 116 | |||||
| 4 | N | 40.5 | Very low | 39.5 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 67% | 0.674 | 79% | 0.789 | S | S | * | * | trans | -58.2 | 136.9 | 166.6 | -175.1 | 28.3 | 0 | 0 | 0 | 113.1 | ||||
| 5 | P | 55.1 | Low | 39.4 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | trans | -98.5 | 113.2 | 164.4 | 33.2 | -22.9 | 0 | 0 | 0 | 111 | ||||
| 6 | F | 36.3 | Very low | 39.5 | Very low | 157 Ų | 157 | 144.3 Ų | 144.3 | 69% | 0.689 | 80% | 0.798 | S | S | * | * | trans | -51.4 | 136.1 | 167.7 | -77.2 | -100.7 | 0 | 0 | 0 | 113.2 | Y8 | F6-Y8 AromaticContact CD1-CD2 3.91Å; F6-Y8 HydrophobicContact CD1-CD2 3.91Å; F6-Y8 HydrophobicContact CE1-CD2 4.12Å; F6-Y8 HydrophobicContact CE1-CE2 4.48Å | ||
| 7 | I | 41.4 | Very low | 39.5 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -131.5 | 93.9 | 135.2 | -58 | -177.7 | 0 | 0 | 0 | 107.1 | ||||
| 8 | Y | 35.5 | Very low | 39 | Very low | 183 Ų | 183 | 142.6 Ų | 142.6 | 72% | 0.718 | 81% | 0.807 | S | S | * | * | trans | -82.7 | 122.3 | 163.8 | -118.8 | -97.7 | 0 | 0 | 0 | 107.2 | F6 T10 | F6-Y8 AromaticContact CD1-CD2 3.91Å; F6-Y8 HydrophobicContact CD1-CD2 3.91Å; F6-Y8 HydrophobicContact CE1-CD2 4.12Å; F6-Y8 HydrophobicContact CE1-CE2 4.48Å; Y8-T10 HydrophobicContact CD1-CG2 3.95Å | ||
| 9 | C | 37.5 | Very low | 38.9 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 72% | 0.716 | 81% | 0.811 | S | S | * | * | trans | -98.6 | 99.3 | 163.7 | -172.6 | 0 | 0 | 0 | 0 | 108 | C11 | C9-C11 PolarHBondContact O-N 3.36Å; C9-C11 PolarHBondContact SG-SG 3.4Å | ||
| 10 | T | 42.6 | Very low | 39.1 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | -87.6 | 89.8 | 169.6 | 46.5 | 0 | 0 | 0 | 0 | 109.2 | Y8 | Y8-T10 HydrophobicContact CD1-CG2 3.95Š| ||
| 11 | C | 41.2 | Very low | 39 | Very low | 95 Ų | 95 | 146.2 Ų | 146.2 | 64% | 0.642 | 81% | 0.81 | S | S | * | * | trans | -147.5 | 124.1 | 155.7 | 49.7 | 0 | 0 | 0 | 0 | 109.9 | C9 | C9-C11 PolarHBondContact O-N 3.36Å; C9-C11 PolarHBondContact SG-SG 3.4Å | ||
| 12 | C | 38.2 | Very low | 39.5 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | trans | 95.2 | 53.9 | 170.5 | -57.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 13 | D | 37.5 | Very low | 39.6 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | trans | -96.2 | 100.2 | 138.1 | -105.4 | -27.4 | 0 | 0 | 0 | 108.2 | ||||
| 14 | C | 33.6 | Very low | 39.1 | Very low | 120 Ų | 120 | 147.6 Ų | 147.6 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -153.6 | 132.7 | 157.6 | -99.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 15 | C | 37.5 | Very low | 39 | Very low | 127 Ų | 127 | 147.8 Ų | 147.8 | 86% | 0.858 | 81% | 0.81 | S | S | * | * | trans | 93.4 | 75 | 167.9 | -51.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 16 | K | 40.6 | Very low | 38.6 | Very low | 200 Ų | 200 | 147.2 Ų | 147.2 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | trans | -62.1 | 131.3 | 136.6 | -67 | -172.3 | 179.1 | -177.2 | 0 | 108.4 | ||||
| 17 | L | 39.3 | Very low | 38.7 | Very low | 179 Ų | 179 | 150.5 Ų | 150.5 | 94% | 0.937 | 82% | 0.816 | S | S | * | * | trans | 158.1 | 115.1 | 134.1 | -81.8 | 165.5 | 0 | 0 | 0 | 110.6 | ||||
| 18 | G | 30.6 | Very low | 38.8 | Very low | 79 Ų | 79 | 148 Ų | 148 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | trans | 114.1 | 104 | 153.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 19 | Q | 38 | Very low | 38.8 | Very low | 190 Ų | 190 | 147.5 Ų | 147.5 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | trans | -102.1 | 163.8 | 139.4 | -80.8 | -159.3 | -22 | 0 | 0 | 107.8 | ||||
| 20 | P | 43.5 | Very low | 38.7 | Very low | 108 Ų | 108 | 147.5 Ų | 147.5 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | cis | -136.8 | 152.1 | 7.2 | 35.7 | -17.7 | 0 | 0 | 0 | 114.5 | ||||
| 21 | K | 37 | Very low | 38.3 | Very low | 205 Ų | 205 | 151.2 Ų | 151.2 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | trans | -143.7 | 119 | 150.3 | -71.3 | -166.9 | -178.9 | 174.6 | 0 | 111.9 | ||||
| 22 | L | 41.6 | Very low | 37.9 | Very low | 170 Ų | 170 | 156 Ų | 156 | 89% | 0.89 | 84% | 0.836 | S | S | * | * | trans | -55.8 | 130 | 164.6 | -78 | 122.8 | 0 | 0 | 0 | 110.5 | ||||
| 23 | I | 38.3 | Very low | 37.8 | Very low | 153 Ų | 153 | 155.3 Ų | 155.3 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | trans | -117.9 | 110.8 | 159.4 | -61.8 | 178.2 | 0 | 0 | 0 | 107.2 | ||||
| 24 | K | 36.1 | Very low | 38.2 | Very low | 193 Ų | 193 | 154.7 Ų | 154.7 | 84% | 0.839 | 83% | 0.833 | S | S | * | * | trans | -70.3 | 128.8 | 162.2 | -76.7 | 175 | 172.5 | 177.5 | 0 | 108 | ||||
| 25 | T | 37.9 | Very low | 38.1 | Very low | 129 Ų | 129 | 151.7 Ų | 151.7 | 79% | 0.791 | 82% | 0.823 | S | S | * | * | trans | -108.7 | 119.9 | 156.4 | 36.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 26 | P | 47.4 | Very low | 38.3 | Very low | 107 Ų | 107 | 155.8 Ų | 155.8 | 70% | 0.695 | 83% | 0.826 | S | S | * | * | trans | -87.9 | 122.2 | 165.8 | 32.7 | -24 | 0 | 0 | 0 | 108 | ||||
| 27 | Y | 37.2 | Very low | 37.9 | Very low | 225 Ų | 225 | 156 Ų | 156 | 88% | 0.882 | 83% | 0.827 | S | S | * | * | trans | 176.6 | 124.9 | 141.1 | -101.4 | -72.6 | 0 | 0 | 0 | 109.5 | ||||
| 28 | P | 44.4 | Very low | 38.2 | Very low | 117 Ų | 117 | 156.7 Ų | 156.7 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 135.1 | 172.7 | 33 | -27.9 | 0 | 0 | 0 | 110.4 | ||
| 29 | L | 34.7 | Very low | 38.7 | Very low | 174 Ų | 174 | 158.8 Ų | 158.8 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 141 | 170 | -150.1 | 76.6 | 0 | 0 | 0 | 110.2 | ||
| 30 | P | 35.4 | Very low | 38.6 | Very low | 106 Ų | 106 | 156.5 Ų | 156.5 | 69% | 0.688 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 145.7 | -167.2 | -5.4 | 25.4 | 0 | 0 | 0 | 114.5 | ||
| 31 | K | 33.6 | Very low | 38.6 | Very low | 200 Ų | 200 | 159 Ų | 159 | 87% | 0.87 | 83% | 0.827 | S | S | * | * | trans | 41.7 | 112.8 | 140 | -58.3 | -176.6 | -179.2 | -179.8 | 0 | 119 | ||||
| 32 | H | 32.7 | Very low | 38.6 | Very low | 195 Ų | 195 | 154.4 Ų | 154.4 | 90% | 0.903 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -68 | 136.1 | 151.5 | -92.5 | -85.2 | 0 | 0 | 0 | 111.3 | ||
| 33 | P | 36.9 | Very low | 38.6 | Very low | 114 Ų | 114 | 151.8 Ų | 151.8 | 74% | 0.74 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 133.3 | 147.8 | 26.7 | -13 | 0 | 0 | 0 | 110.7 | G35 | P33-G35 PolarHBondContact O-N 3.29Š|
| 34 | T | 45.7 | Very low | 38.6 | Very low | 157 Ų | 157 | 150.7 Ų | 150.7 | 96% | 0.963 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 117.2 | 170.6 | -35.4 | 0 | 0 | 0 | 0 | 110.8 | ||
| 35 | G | 30.8 | Very low | 38.4 | Very low | 58 Ų | 58 | 149.5 Ų | 149.5 | 60% | 0.598 | 82% | 0.815 | S | S | * | * | trans | -146.3 | 120.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P33 F37 | P33-G35 PolarHBondContact O-N 3.29Å; G35-F37 PolarHBondContact O-N 3.46Å | ||
| 36 | K | 43 | Very low | 38.3 | Very low | 213 Ų | 213 | 148 Ų | 148 | 93% | 0.926 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 124.4 | -178.3 | -61.6 | 174.6 | 179 | 178.5 | 0 | 110.8 | ||
| 37 | F | 32.9 | Very low | 37.7 | Very low | 205 Ų | 205 | 151.7 Ų | 151.7 | 90% | 0.899 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 120.5 | 166.9 | -80.8 | -85.2 | 0 | 0 | 0 | 110.3 | G35 | G35-F37 PolarHBondContact O-N 3.46Š|
| 38 | K | 44.8 | Very low | 37.6 | Very low | 192 Ų | 192 | 149 Ų | 149 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 137.4 | 160.2 | -80.2 | -179 | 175.5 | -179.9 | 0 | 108.3 | ||
| 39 | P | 41 | Very low | 37.1 | Very low | 124 Ų | 124 | 152.5 Ų | 152.5 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 132.7 | 166.6 | 28.9 | -28.2 | 0 | 0 | 0 | 110.6 | ||
| 40 | V | 35.9 | Very low | 37 | Very low | 142 Ų | 142 | 151.5 Ų | 151.5 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 124.5 | 170.3 | 171.2 | 0 | 0 | 0 | 0 | 108.2 | ||
| 41 | L | 42.9 | Very low | 36.7 | Very low | 160 Ų | 160 | 151.3 Ų | 151.3 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 140.6 | 167.4 | -89.8 | 146 | 0 | 0 | 0 | 109.5 | ||
| 42 | P | 37.9 | Very low | 36.7 | Very low | 109 Ų | 109 | 149.4 Ų | 149.4 | 71% | 0.708 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 157.7 | 169.6 | 31 | -29 | 0 | 0 | 0 | 111.7 | ||
| 43 | P | 42.1 | Very low | 36.7 | Very low | 114 Ų | 114 | 147 Ų | 147 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 162.8 | -166.5 | 34.7 | -34.8 | 0 | 0 | 0 | 113.1 | ||
| 44 | P | 36.8 | Very low | 36.4 | Very low | 130 Ų | 130 | 146.8 Ų | 146.8 | 84% | 0.844 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 130.1 | -179.9 | 32.7 | -30.7 | 0 | 0 | 0 | 110.6 | ||
| 45 | I | 31.4 | Very low | 36 | Very low | 168 Ų | 168 | 148 Ų | 148 | 86% | 0.862 | 80% | 0.801 | S | S | * | * | trans | -85.3 | 113.6 | 168.4 | -68.5 | 172 | 0 | 0 | 0 | 108.1 | ||||
| 46 | S | 37.6 | Very low | 36.5 | Very low | 99 Ų | 99 | 150.8 Ų | 150.8 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | trans | -74.9 | 130.3 | 156.4 | 158.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 47 | K | 33.7 | Very low | 35.8 | Very low | 184 Ų | 184 | 144.3 Ų | 144.3 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | 175.6 | 144 | 123.3 | -94.9 | 170.1 | -175.8 | -176.3 | 0 | 112.7 | |||||
| 48 | E | 34.8 | Very low | 35.7 | Very low | 169 Ų | 169 | 144.6 Ų | 144.6 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -33.9 | 143.5 | 164.4 | -68.6 | 157.4 | 124.7 | 0 | 0 | 115 | ||||
| 49 | H | 33.6 | Very low | 34.9 | Very low | 190 Ų | 190 | 140.3 Ų | 140.3 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | -163.2 | 114.8 | 121.9 | -96.2 | -70.7 | 0 | 0 | 0 | 109.5 | |||||
| 50 | N | 33.1 | Very low | 34.3 | Very low | 152 Ų | 152 | 140 Ų | 140 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -63.5 | 143.5 | 154.4 | -87.9 | -46.1 | 0 | 0 | 0 | 109 | ||||
| 51 | S | 29.6 | Very low | 34.1 | Very low | 102 Ų | 102 | 139.3 Ų | 139.3 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | 169.2 | 141.2 | 114.7 | -65.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 52 | L | 32.6 | Very low | 33.8 | Very low | 160 Ų | 160 | 136.6 Ų | 136.6 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | 77.8 | 136.2 | 159.9 | -46.4 | -178.2 | 0 | 0 | 0 | 116.5 | ||||
| 53 | L | 32.7 | Very low | 33.9 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | cis | -168.7 | 133.4 | 11 | -150.4 | 77 | 0 | 0 | 0 | 105.4 | ||||
| 54 | S | 31 | Very low | 33.2 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | 171.1 | 145.7 | 92.6 | -71.7 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 55 | Q | 37.3 | Very low | 32.8 | Very low | 182 Ų | 182 | 141.9 Ų | 141.9 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | -95.4 | -152 | -170.6 | -51.5 | -170.8 | -31.7 | 0 | 0 | 113.4 | ||||
| 56 | P | 42.5 | Very low | 32.8 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | -132.3 | 170.1 | -53.8 | 24.7 | -4.4 | 0 | 0 | 0 | 114 | |||||
| 57 | G | 27.8 | Very low | 32.4 | Very low | 76 Ų | 76 | 146 Ų | 146 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | -153.7 | 125.9 | 161.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 58 | K | 31.4 | Very low | 32.4 | Very low | 211 Ų | 211 | 146.1 Ų | 146.1 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -66.8 | 168.9 | -167.1 | -54.3 | 166.9 | 177.9 | 175.1 | 0 | 112.6 | ||||
| 59 | S | 27.9 | Very low | 32.1 | Very low | 102 Ų | 102 | 143.7 Ų | 143.7 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | cis | 178.9 | 161 | 41.3 | -169.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 60 | T | 28.3 | Very low | 31.8 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 73% | 0.73 | 80% | 0.795 | S | S | * | * | trans | 85.7 | 125.8 | 147.7 | -43.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 61 | V | 30.9 | Very low | 31.7 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | cis | -165.1 | 147 | 4.3 | 132.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 62 | S | 37.8 | Very low | 31.8 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -110.5 | 156.8 | 164.3 | -179.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 63 | P | 39.6 | Very low | 31.6 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | -154.7 | 150.2 | 92.5 | 34.7 | -13.4 | 0 | 0 | 0 | 116.6 | |||||
| 64 | R | 27.1 | Very low | 31.7 | Very low | 220 Ų | 220 | 138.2 Ų | 138.2 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | trans | -135.7 | 117.5 | 150.8 | -140.5 | -171.2 | 178.7 | 170.1 | 6.2 | 111.2 | ||||
| 65 | D | 28.2 | Very low | 31.9 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 66% | 0.663 | 80% | 0.798 | S | S | * | * | trans | 66.8 | 133.6 | 144.1 | -67.5 | -20 | 0 | 0 | 0 | 124.3 | ||||
| 66 | K | 31.1 | Very low | 32.2 | Very low | 201 Ų | 201 | 140.1 Ų | 140.1 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | 92 | 102.8 | 152.1 | -70.5 | 169.8 | -175.6 | -174.1 | 0 | 118.7 | ||||
| 67 | V | 30 | Very low | 32.2 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 92% | 0.915 | 80% | 0.798 | S | S | * | * | trans | -111.8 | 132.2 | 152.8 | 170.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 68 | Q | 33.4 | Very low | 32.9 | Very low | 187 Ų | 187 | 141 Ų | 141 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -100 | 147 | 172.1 | -149.7 | 166 | 11.1 | 0 | 0 | 109.2 | ||||
| 69 | S | 28.3 | Very low | 33.7 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -41.3 | 141 | -176.7 | -173 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 70 | G | 28.3 | Very low | 35.1 | Very low | 77 Ų | 77 | 135.9 Ų | 135.9 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | -155.5 | 113.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 71 | N | 30.8 | Very low | 36.9 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | -66.8 | 150.9 | -170.6 | -127.9 | -2.1 | 0 | 0 | 0 | 113.7 | ||||
| 72 | T | 30.8 | Very low | 38.9 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | 150.4 | 129.1 | 120 | -54 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 73 | E | 28.5 | Very low | 40.3 | Very low | 175 Ų | 175 | 134.2 Ų | 134.2 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | 82.3 | 92.6 | 153.8 | -81.5 | 164.9 | -165.4 | 0 | 0 | 122.7 | ||||
| 74 | S | 35.1 | Very low | 42 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | 41.2 | 96.8 | 113 | 176 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 75 | S | 33.8 | Very low | 43.7 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 79% | 0.79 | 72% | 0.717 | S | S | * | * | trans | -145.2 | 127.1 | 141.7 | 49.2 | 0 | 0 | 0 | 0 | 110.6 | A77 | S75-A77 PolarHBondContact O-N 3.22Š| ||
| 76 | K | 44.2 | Very low | 45.7 | Very low | 217 Ų | 217 | 124.8 Ų | 124.8 | 94% | 0.943 | 72% | 0.722 | S | S | * | * | trans | -53.3 | 122.6 | 179.1 | -82.5 | 169.9 | 170.7 | 173.3 | 0 | 111 | ||||
| 77 | A | 42.7 | Very low | 47.4 | Very low | 83 Ų | 83 | 115.8 Ų | 115.8 | 69% | 0.686 | 69% | 0.687 | S | S | * | * | trans | -116.9 | 145.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109 | S75 | S75-A77 PolarHBondContact O-N 3.22Š| ||
| 78 | P | 43.5 | Very low | 49.7 | Very low | 128 Ų | 128 | 113.3 Ų | 113.3 | 83% | 0.831 | 66% | 0.661 | S | S | * | * | trans | -69.2 | 133.5 | -168.4 | 27.5 | -33 | 0 | 0 | 0 | 111.5 | E80 | P78-E80 PolarHBondContact O-N 3.44Š| ||
| 79 | S | 47.3 | Very low | 51.7 | Low | 72 Ų | 72 | 106.5 Ų | 106.5 | 50% | 0.503 | 63% | 0.632 | S | S | . | * | trans | -67.5 | 119.9 | 172 | -58.9 | 0 | 0 | 0 | 0 | 110 | N93 | S79-N93 PolarHBondContact OG-OD1 3.07Š| ||
| 80 | E | 57.7 | Low | 54.1 | Low | 135 Ų | 135 | 102.3 Ų | 102.3 | 63% | 0.631 | 60% | 0.6 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.4 | 113.1 | 177.3 | -160.4 | 174 | -152.7 | 0 | 0 | 109 | P78 I82 | P78-E80 PolarHBondContact O-N 3.44Å; E80-I82 HydrophobicContact CG-CG1 4.29Å |
| 81 | V | 65.1 | Low | 56.3 | Low | 92 Ų | 92 | 101.2 Ų | 101.2 | 56% | 0.558 | 58% | 0.576 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.4 | 113.2 | 178.1 | 179.8 | 0 | 0 | 0 | 0 | 108 | T89 I91 | V81-T89 HydrophobicContact CG1-CG2 3.51Å; V81-I91 HydrophobicContact CG2-CG1 4.41Å |
| 82 | I | 72.9 | Confident | 58.4 | Low | 69 Ų | 69 | 101.1 Ų | 101.1 | 35% | 0.354 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.9 | -176.8 | -56.3 | 172.5 | 0 | 0 | 0 | 109.1 | E80 V84 L90 | E80-I82 HydrophobicContact CG-CG1 4.29Å; I82-V84 PolarHBondContact O-N 3.46Å; I82-L90 HydrophobicContact CB-CB 4.47Å; I82-L90 PolarHBondContact N-O 3.05Å; I82-L90 WeakPolarHBondContact O-CB 3.39Å; I82-L90 PolarHBondContact O-N 3.45Å |
| 83 | Q | 68.5 | Low | 60.3 | Low | 153 Ų | 153 | 100 Ų | 100 | 72% | 0.715 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.8 | 106.9 | 173.2 | -149.4 | -174.9 | 30.7 | 0 | 0 | 108.7 | ||
| 84 | V | 73.8 | Confident | 62.3 | Low | 89 Ų | 89 | 104 Ų | 104 | 54% | 0.539 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.3 | -33.8 | -175.6 | -164.6 | 0 | 0 | 0 | 0 | 110.8 | I82 Y88 L90 | I82-V84 PolarHBondContact O-N 3.46Å; V84-Y88 PolarHBondContact N-O 3.14Å; V84-L90 HydrophobicContact CG2-CB 3.42Å; V84-L90 VanDerWaalsContact CG2-CB 3.42Å; V84-L90 HydrophobicContact CG2-CD2 4.04Å; V84-L90 HydrophobicContact CG2-CG 4.3Å |
| 85 | S | 64 | Low | 64 | Low | 59 Ų | 59 | 107.3 Ų | 107.3 | 41% | 0.413 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -161.4 | 157 | -178.8 | -45.8 | 0 | 0 | 0 | 0 | 109.2 | G87 Y88 | S85-G87 PolarHBondContact O-N 3.28Å; S85-Y88 PolarHBondContact O-N 2.69Å |
| 86 | P | 70.4 | Confident | 65.5 | Low | 118 Ų | 118 | 109 Ų | 109 | 77% | 0.766 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | 126.9 | 175.7 | -24.3 | 33.8 | 0 | 0 | 0 | 111.2 | ||
| 87 | G | 66.9 | Low | 67.1 | Low | 12 Ų | 12 | 103.9 Ų | 103.9 | 12% | 0.124 | 54% | 0.541 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 3.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | S85 G102 | S85-G87 PolarHBondContact O-N 3.28Å; G87-G102 PolarHBondContact O-N 3.21Å |
| 88 | Y | 76.9 | Confident | 68.5 | Low | 99 Ų | 99 | 102.3 Ų | 102.3 | 39% | 0.388 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 122.9 | 173.5 | -68.5 | -93.5 | 0 | 0 | 0 | 111.6 | V84 S85 V99 L101 M105 | V84-Y88 PolarHBondContact N-O 3.14Å; S85-Y88 PolarHBondContact O-N 2.69Å; Y88-V99 HydrophobicContact CD1-CG1 3.92Å; Y88-L101 HydrophobicContact CD1-CD1 3.84Å; Y88-L101 HydrophobicContact CD2-CD1 4.3Å; Y88-L101 HydrophobicContact CE1-CD1 3.33Å; Y88-L101 HydrophobicContact CE2-CD1 3.84Å; Y88-L101 HydrophobicContact CG-CD1 4.3Å; Y88-M105 HydrophobicContact CE2-CE 4.25Å |
| 89 | T | 76 | Confident | 70.2 | Confident | 43 Ų | 43 | 100.6 Ų | 100.6 | 26% | 0.264 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 125.5 | 175.2 | 3.6 | 0 | 0 | 0 | 0 | 110.5 | V81 T100 | V81-T89 HydrophobicContact CG1-CG2 3.51Å; T89-T100 PolarHBondContact N-O 3.29Å; T89-T100 PolarHBondContact O-N 3.05Å; T89-T100 PolarHBondContact O-OG1 3.36Å |
| 90 | L | 78.4 | Confident | 71.4 | Confident | 31 Ų | 31 | 100.2 Ų | 100.2 | 16% | 0.162 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 120.2 | 174.6 | 178.3 | 77.3 | 0 | 0 | 0 | 108.8 | I82 V84 I97 V99 | I82-L90 HydrophobicContact CB-CB 4.47Å; I82-L90 PolarHBondContact N-O 3.05Å; I82-L90 WeakPolarHBondContact O-CB 3.39Å; I82-L90 PolarHBondContact O-N 3.45Å; V84-L90 HydrophobicContact CG2-CB 3.42Å; V84-L90 VanDerWaalsContact CG2-CB 3.42Å; V84-L90 HydrophobicContact CG2-CD2 4.04Å; V84-L90 HydrophobicContact CG2-CG 4.3Å; L90-I97 HydrophobicContact CD1-CG2 3.4Å; L90-I97 HydrophobicContact CG-CG2 4.48Å; L90-V99 HydrophobicContact CD1-CG2 3.5Å |
| 91 | I | 75.4 | Confident | 72.3 | Confident | 54 Ų | 54 | 97 Ų | 97 | 28% | 0.277 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 115.1 | 171.5 | -55.6 | 176.8 | 0 | 0 | 0 | 106.9 | V81 S98 | V81-I91 HydrophobicContact CG2-CG1 4.41Å; I91-S98 PolarHBondContact N-O 3.5Å; I91-S98 PolarHBondContact O-N 3.46Å; I91-S98 VanDerWaalsContact O-N 3.14Å |
| 92 | R | 73.9 | Confident | 72.6 | Confident | 152 Ų | 152 | 93.1 Ų | 93.1 | 57% | 0.574 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 112.5 | -178.7 | -174.1 | 173.5 | -172.1 | 154.1 | 2.3 | 110.3 | I97 | R92-I97 HydrophobicContact CG-CG1 4.35Å |
| 93 | N | 71.1 | Confident | 72.3 | Confident | 86 Ų | 86 | 96.2 Ų | 96.2 | 46% | 0.46 | 49% | 0.489 | S | S | . | . | trans | -107.7 | 165.5 | 165.8 | -73.5 | -33.4 | 0 | 0 | 0 | 109.9 | S79 E95 Q96 | S79-N93 PolarHBondContact OG-OD1 3.07Å; N93-E95 PolarHBondContact O-N 3.01Å; N93-Q96 PolarHBondContact N-O 3.27Å; N93-Q96 PolarHBondContact O-N 3.33Å; N93-Q96 VanDerWaalsContact O-O 3.1Å | ||
| 94 | R | 70.8 | Confident | 72.3 | Confident | 259 Ų | 259 | 95.1 Ų | 95.1 | 98% | 0.977 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -61 | -18 | -176.7 | -135.1 | 178.7 | -173.3 | -175.9 | 1.9 | 113.8 | ||
| 95 | E | 70.5 | Confident | 71.7 | Confident | 189 Ų | 189 | 96.1 Ų | 96.1 | 88% | 0.883 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -120.3 | -15.5 | -173.1 | -65.4 | 173.1 | -175.4 | 0 | 0 | 114 | N93 | N93-E95 PolarHBondContact O-N 3.01Š|
| 96 | Q | 65.8 | Low | 71.6 | Confident | 148 Ų | 148 | 100.1 Ų | 100.1 | 69% | 0.692 | 49% | 0.494 | S | S | * | . | trans | -147.1 | 142.3 | 177.5 | -78.4 | -176.2 | -0.1 | 0 | 0 | 111.6 | N93 | N93-Q96 PolarHBondContact N-O 3.27Å; N93-Q96 PolarHBondContact O-N 3.33Å; N93-Q96 VanDerWaalsContact O-O 3.1Å | ||
| 97 | I | 78 | Confident | 70.9 | Confident | 110 Ų | 110 | 100.9 Ų | 100.9 | 56% | 0.564 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 116.4 | 167.5 | -57.9 | -179.5 | 0 | 0 | 0 | 106.3 | L90 R92 | L90-I97 HydrophobicContact CD1-CG2 3.4Å; L90-I97 HydrophobicContact CG-CG2 4.48Å; R92-I97 HydrophobicContact CG-CG1 4.35Å |
| 98 | S | 70.8 | Confident | 70 | Confident | 51 Ų | 51 | 111.1 Ų | 111.1 | 36% | 0.357 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 134.9 | 172.6 | 57.8 | 0 | 0 | 0 | 0 | 110.1 | I91 | I91-S98 PolarHBondContact N-O 3.5Å; I91-S98 PolarHBondContact O-N 3.46Å; I91-S98 VanDerWaalsContact O-N 3.14Å |
| 99 | V | 79.3 | Confident | 68.9 | Low | 91 Ų | 91 | 116 Ų | 116 | 55% | 0.552 | 55% | 0.55 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108 | 113.5 | 171.3 | 176.9 | 0 | 0 | 0 | 0 | 106.7 | Y88 L90 | Y88-V99 HydrophobicContact CD1-CG1 3.92Å; L90-V99 HydrophobicContact CD1-CG2 3.5Å |
| 100 | T | 74.1 | Confident | 67.3 | Low | 64 Ų | 64 | 122.8 Ų | 122.8 | 39% | 0.393 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.9 | 130.2 | 174 | 45.9 | 0 | 0 | 0 | 0 | 109.5 | T89 | T89-T100 PolarHBondContact N-O 3.29Å; T89-T100 PolarHBondContact O-N 3.05Å; T89-T100 PolarHBondContact O-OG1 3.36Å |
| 101 | L | 76.8 | Confident | 65.5 | Low | 68 Ų | 68 | 130 Ų | 130 | 36% | 0.356 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.6 | 125.2 | 168.8 | -173.6 | 70.8 | 0 | 0 | 0 | 108 | Y88 M105 F106 | Y88-L101 HydrophobicContact CD1-CD1 3.84Å; Y88-L101 HydrophobicContact CD2-CD1 4.3Å; Y88-L101 HydrophobicContact CE1-CD1 3.33Å; Y88-L101 HydrophobicContact CE2-CD1 3.84Å; Y88-L101 HydrophobicContact CG-CD1 4.3Å; L101-M105 HydrophobicContact CD1-CB 4.36Å; L101-M105 HydrophobicContact CD1-CE 3.84Å; L101-M105 HydrophobicContact CD1-CG 3.92Å; L101-M105 HydrophobicContact CD2-CB 4.29Å; L101-M105 HydrophobicContact CG-CB 4.22Å; L101-M105 HydrophobicContact CG-CG 4.25Å; L101-F106 HydrophobicContact CD2-CE2 3.71Å; L101-F106 HydrophobicContact CD2-CZ 3.88Å; L101-F106 HydrophobicContact CG-CE2 4.37Å |
| 102 | G | 71.3 | Confident | 63.9 | Low | 10 Ų | 10 | 134 Ų | 134 | 10% | 0.103 | 63% | 0.63 | C | S | . | * | P | Polyproline II helix | trans | -66.4 | 143.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G87 E104 M105 | G87-G102 PolarHBondContact O-N 3.21Å; G102-E104 PolarHBondContact O-N 3.1Å; G102-M105 PolarHBondContact O-N 3Å; G102-M105 VanDerWaalsContact O-N 3.15Å |
| 103 | D | 65.7 | Low | 61.8 | Low | 134 Ų | 134 | 135 Ų | 135 | 72% | 0.717 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -59.1 | -12.4 | 179 | -91 | -18.8 | 0 | 0 | 0 | 113.2 | M105 F106 | D103-M105 PolarHBondContact O-N 3.24Å; D103-F106 PolarHBondContact O-N 3.4Å |
| 104 | E | 68.3 | Low | 60.4 | Low | 131 Ų | 131 | 135.8 Ų | 135.8 | 61% | 0.612 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -63.2 | -26.7 | 175.3 | -47.4 | 99.1 | -175.9 | 0 | 0 | 112.8 | G102 F106 | G102-E104 PolarHBondContact O-N 3.1Å; E104-F106 VanDerWaalsContact C-N 3.29Å; E104-F106 PolarHBondContact O-N 3.25Å |
| 105 | M | 62.3 | Low | 58.6 | Low | 109 Ų | 109 | 129.7 Ų | 129.7 | 54% | 0.537 | 64% | 0.64 | S | S | . | * | G | 310 helix | trans | -77.4 | -12.2 | -180 | -65.4 | -86.9 | -83.9 | 0 | 0 | 113.2 | Y88 L101 G102 D103 | Y88-M105 HydrophobicContact CE2-CE 4.25Å; L101-M105 HydrophobicContact CD1-CB 4.36Å; L101-M105 HydrophobicContact CD1-CE 3.84Å; L101-M105 HydrophobicContact CD1-CG 3.92Å; L101-M105 HydrophobicContact CD2-CB 4.29Å; L101-M105 HydrophobicContact CG-CB 4.22Å; L101-M105 HydrophobicContact CG-CG 4.25Å; G102-M105 PolarHBondContact O-N 3Å; G102-M105 VanDerWaalsContact O-N 3.15Å; D103-M105 PolarHBondContact O-N 3.24Å |
| 106 | F | 60.6 | Low | 57.2 | Low | 143 Ų | 143 | 127.2 Ų | 127.2 | 63% | 0.627 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -103.3 | -2.7 | 177.5 | -65 | -79.7 | 0 | 0 | 0 | 113.6 | L101 D103 E104 R108 | L101-F106 HydrophobicContact CD2-CE2 3.71Å; L101-F106 HydrophobicContact CD2-CZ 3.88Å; L101-F106 HydrophobicContact CG-CE2 4.37Å; D103-F106 PolarHBondContact O-N 3.4Å; E104-F106 VanDerWaalsContact C-N 3.29Å; E104-F106 PolarHBondContact O-N 3.25Å; F106-R108 VanDerWaalsContact C-N 3.27Å; F106-R108 PolarHBondContact O-N 3.35Å |
| 107 | N | 55.3 | Low | 56 | Low | 135 Ų | 135 | 128.1 Ų | 128.1 | 72% | 0.722 | 65% | 0.647 | S | S | * | * | trans | -75.6 | 76.4 | 171.1 | -80.3 | -37.4 | 0 | 0 | 0 | 111.2 | K109 | N107-K109 VanDerWaalsContact C-N 3.33Å; N107-K109 PolarHBondContact O-N 3.49Å | ||
| 108 | R | 49.9 | Very low | 54.1 | Low | 226 Ų | 226 | 127.2 Ų | 127.2 | 85% | 0.853 | 65% | 0.65 | S | S | * | * | trans | -69.6 | 88.3 | 169.6 | -165.9 | -174.8 | -68.2 | -155.4 | 0.6 | 109.4 | F106 K110 | F106-R108 VanDerWaalsContact C-N 3.27Å; F106-R108 PolarHBondContact O-N 3.35Å; R108-K110 PolarHBondContact O-N 3.3Å | ||
| 109 | K | 52 | Low | 52.9 | Low | 201 Ų | 201 | 135 Ų | 135 | 87% | 0.874 | 68% | 0.678 | S | S | * | * | trans | -60.4 | 105.3 | 159.3 | -104.6 | 179 | 178.4 | 176.1 | 0 | 107.6 | N107 H111 | N107-K109 VanDerWaalsContact C-N 3.33Å; N107-K109 PolarHBondContact O-N 3.49Å; K109-H111 PolarHBondContact O-N 3.01Å | ||
| 110 | K | 43.6 | Very low | 51.1 | Low | 187 Ų | 187 | 135.1 Ų | 135.1 | 81% | 0.813 | 68% | 0.678 | S | S | * | * | trans | -65.5 | 109.2 | 166.9 | -67.6 | 178.8 | 179.8 | 177.9 | 0 | 107.5 | R108 | R108-K110 PolarHBondContact O-N 3.3Š| ||
| 111 | H | 40.3 | Very low | 49.8 | Very low | 182 Ų | 182 | 142.1 Ų | 142.1 | 84% | 0.843 | 70% | 0.703 | S | S | * | * | trans | -95.2 | 109.2 | 159.4 | -129 | -78.1 | 0 | 0 | 0 | 106.8 | K109 | K109-H111 PolarHBondContact O-N 3.01Š| ||
| 112 | L | 41.1 | Very low | 48.3 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 73% | 0.728 | 71% | 0.71 | S | S | * | * | trans | -95.3 | 153.3 | 165.1 | -130.9 | 99.8 | 0 | 0 | 0 | 108 | ||||
| 113 | E | 31.6 | Very low | 47.4 | Very low | 172 Ų | 172 | 146.3 Ų | 146.3 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | trans | 73.6 | 145.2 | 169.9 | -66 | 176.6 | 168.1 | 0 | 0 | 117.6 | ||||
| 114 | S | 39.7 | Very low | 47.7 | Very low | 103 Ų | 103 | 150.2 Ų | 150.2 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | cis | 178.2 | 166.1 | -20.4 | 169.9 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 115 | D | 33.5 | Very low | 48 | Very low | 131 Ų | 131 | 148.3 Ų | 148.3 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | trans | 103.3 | 87.9 | 138.2 | -141 | 16 | 0 | 0 | 0 | 118 | ||||
| 116 | V | 40.8 | Very low | 48.5 | Very low | 136 Ų | 136 | 146.8 Ų | 146.8 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | trans | -146 | 86.9 | 131 | -174.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 117 | L | 42.3 | Very low | 49.3 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 88% | 0.88 | 71% | 0.71 | S | S | * | * | trans | -85.7 | 96.2 | 159.1 | -85 | 165.6 | 0 | 0 | 0 | 108.6 | ||||
| 118 | S | 37.6 | Very low | 50.5 | Low | 91 Ų | 91 | 141.2 Ų | 141.2 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | trans | -95.5 | 110.2 | 163 | 64.9 | 0 | 0 | 0 | 0 | 110 | V120 | S118-V120 PolarHBondContact O-N 3.45Š| ||
| 119 | K | 44.1 | Very low | 52.1 | Low | 215 Ų | 215 | 133.5 Ų | 133.5 | 94% | 0.935 | 67% | 0.674 | S | S | * | * | trans | -46.2 | 100.2 | 168.4 | -85.2 | 171.9 | 171.8 | 170 | 0 | 111.3 | ||||
| 120 | V | 43.2 | Very low | 53.7 | Low | 92 Ų | 92 | 127.6 Ų | 127.6 | 56% | 0.558 | 65% | 0.652 | S | S | * | * | trans | -130.5 | 128 | 148.5 | 179 | 0 | 0 | 0 | 0 | 105.1 | S118 F122 | S118-V120 PolarHBondContact O-N 3.45Å; V120-F122 HydrophobicContact CB-CD2 4.02Å; V120-F122 HydrophobicContact CB-CE2 3.68Å; V120-F122 HydrophobicContact CB-CZ 4.11Å; V120-F122 HydrophobicContact CG1-CD2 4.26Å; V120-F122 HydrophobicContact CG1-CE1 4.31Å; V120-F122 HydrophobicContact CG1-CE2 4.04Å; V120-F122 HydrophobicContact CG1-CZ 4.06Å; V120-F122 HydrophobicContact CG2-CE2 4.5Å; V120-F122 PolarHBondContact O-N 3.07Å | ||
| 121 | K | 46.6 | Very low | 55.8 | Low | 211 Ų | 211 | 122.9 Ų | 122.9 | 92% | 0.917 | 64% | 0.635 | S | S | * | * | trans | -67.8 | 73.7 | 172.7 | -70.2 | 177.3 | 178 | 177.6 | 0 | 107.6 | S123 | K121-S123 PolarHBondContact O-N 3.26Š| ||
| 122 | F | 44.9 | Very low | 58 | Low | 116 Ų | 116 | 120 Ų | 120 | 51% | 0.509 | 62% | 0.622 | S | S | . | * | trans | -63.7 | 122.5 | 163 | -69.3 | -72.4 | 0 | 0 | 0 | 105.8 | V120 D126 I127 | V120-F122 HydrophobicContact CB-CD2 4.02Å; V120-F122 HydrophobicContact CB-CE2 3.68Å; V120-F122 HydrophobicContact CB-CZ 4.11Å; V120-F122 HydrophobicContact CG1-CD2 4.26Å; V120-F122 HydrophobicContact CG1-CE1 4.31Å; V120-F122 HydrophobicContact CG1-CE2 4.04Å; V120-F122 HydrophobicContact CG1-CZ 4.06Å; V120-F122 HydrophobicContact CG2-CE2 4.5Å; V120-F122 PolarHBondContact O-N 3.07Å; F122-D126 HydrophobicContact CB-CB 4.23Å; F122-D126 HydrophobicContact CD1-CB 3.85Å; F122-I127 HydrophobicContact CB-CD1 4.01Å; F122-I127 HydrophobicContact CB-CG1 3.73Å; F122-I127 HydrophobicContact CG-CG1 4.35Å | ||
| 123 | S | 52.7 | Low | 60.2 | Low | 51 Ų | 51 | 118.9 Ų | 118.9 | 36% | 0.357 | 61% | 0.613 | S | S | . | * | trans | -57.8 | 146.2 | 167.7 | 67.5 | 0 | 0 | 0 | 0 | 106.8 | K121 T125 D126 | K121-S123 PolarHBondContact O-N 3.26Å; S123-T125 WeakPolarHBondContact CB-OG1 3.35Å; S123-T125 PolarHBondContact O-N 2.86Å; S123-T125 PolarHBondContact OG-OG1 2.73Å; S123-D126 PolarHBondContact N-OD2 3.08Å; S123-D126 VanDerWaalsContact N-OD2 3.09Å; S123-D126 PolarHBondContact O-N 3.25Å; S123-D126 VanDerWaalsContact OG-CG 3.24Å; S123-D126 PolarHBondContact OG-OD2 3.2Å | ||
| 124 | R | 70.4 | Confident | 63 | Low | 215 Ų | 215 | 114.6 Ų | 114.6 | 81% | 0.811 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -46.7 | -28.5 | 177.1 | 179.9 | 177.3 | 176 | 179.1 | -0.6 | 111.9 | I128 | R124-I128 HydrophobicContact CG-CD1 3.83Å; R124-I128 WeakPolarHBondContact O-CB 3.4Å; R124-I128 WeakPolarHBondContact O-CD1 2.93Å; R124-I128 WeakPolarHBondContact O-CG1 3.46Å; R124-I128 PolarHBondContact O-N 3.49Å |
| 125 | T | 74.8 | Confident | 65.4 | Low | 91 Ų | 91 | 114.5 Ų | 114.5 | 56% | 0.558 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.4 | -41.8 | 173.1 | 17.1 | 0 | 0 | 0 | 0 | 115.3 | S123 I128 S129 | S123-T125 WeakPolarHBondContact CB-OG1 3.35Å; S123-T125 PolarHBondContact O-N 2.86Å; S123-T125 PolarHBondContact OG-OG1 2.73Å; T125-I128 PolarHBondContact O-N 3Å; T125-S129 PolarHBondContact O-N 2.9Å; T125-S129 PolarHBondContact O-OG 2.9Å; T125-S129 VanDerWaalsContact O-OG 3.08Å |
| 126 | D | 72.7 | Confident | 68.1 | Low | 78 Ų | 78 | 111 Ų | 111 | 42% | 0.417 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -71.7 | -38.7 | -175.8 | -55.7 | -48.4 | 0 | 0 | 0 | 112.2 | F122 S123 I128 S129 D130 | F122-D126 HydrophobicContact CB-CB 4.23Å; F122-D126 HydrophobicContact CD1-CB 3.85Å; S123-D126 PolarHBondContact N-OD2 3.08Å; S123-D126 VanDerWaalsContact N-OD2 3.09Å; S123-D126 PolarHBondContact O-N 3.25Å; S123-D126 VanDerWaalsContact OG-CG 3.24Å; S123-D126 PolarHBondContact OG-OD2 3.2Å; D126-I128 VanDerWaalsContact C-N 3.32Å; D126-S129 PolarHBondContact O-N 2.92Å; D126-D130 PolarHBondContact O-N 3.45Å |
| 127 | I | 77.4 | Confident | 70.5 | Confident | 90 Ų | 90 | 109.9 Ų | 109.9 | 46% | 0.462 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.9 | -38.6 | 174.1 | -60.5 | 172.5 | 0 | 0 | 0 | 110.5 | F122 L131 | F122-I127 HydrophobicContact CB-CD1 4.01Å; F122-I127 HydrophobicContact CB-CG1 3.73Å; F122-I127 HydrophobicContact CG-CG1 4.35Å; I127-L131 HydrophobicContact CG2-CD1 4.08Å; I127-L131 WeakPolarHBondContact O-CB 3.48Å; I127-L131 VanDerWaalsContact O-CG 3.3Å; I127-L131 WeakPolarHBondContact O-CG 3.44Å; I127-L131 PolarHBondContact O-N 3.33Å |
| 128 | I | 82.1 | Confident | 72.9 | Confident | 71 Ų | 71 | 106.7 Ų | 106.7 | 36% | 0.364 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.5 | -41 | 176.7 | -71.3 | 169.1 | 0 | 0 | 0 | 110.3 | R124 T125 D126 L131 Q132 | R124-I128 HydrophobicContact CG-CD1 3.83Å; R124-I128 WeakPolarHBondContact O-CB 3.4Å; R124-I128 WeakPolarHBondContact O-CD1 2.93Å; R124-I128 WeakPolarHBondContact O-CG1 3.46Å; R124-I128 PolarHBondContact O-N 3.49Å; T125-I128 PolarHBondContact O-N 3Å; D126-I128 VanDerWaalsContact C-N 3.32Å; I128-L131 PolarHBondContact O-N 2.89Å; I128-Q132 HydrophobicContact CG2-CG 4.29Å; I128-Q132 VanDerWaalsContact O-CB 3.31Å; I128-Q132 WeakPolarHBondContact O-CB 3.23Å; I128-Q132 WeakPolarHBondContact O-CG 3.47Å; I128-Q132 PolarHBondContact O-N 2.99Å |
| 129 | S | 83.6 | Confident | 75.5 | Confident | 63 Ų | 63 | 107.1 Ų | 107.1 | 44% | 0.441 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 177 | -64 | 0 | 0 | 0 | 0 | 112.7 | T125 D126 Q132 E133 | T125-S129 PolarHBondContact O-N 2.9Å; T125-S129 PolarHBondContact O-OG 2.9Å; T125-S129 VanDerWaalsContact O-OG 3.08Å; D126-S129 PolarHBondContact O-N 2.92Å; S129-Q132 WeakPolarHBondContact O-CB 3.43Å; S129-Q132 PolarHBondContact O-N 3.42Å; S129-E133 WeakPolarHBondContact O-CB 3.49Å; S129-E133 PolarHBondContact O-N 3.49Å |
| 130 | D | 85 | Confident | 77.8 | Confident | 78 Ų | 78 | 99.2 Ų | 99.2 | 42% | 0.417 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 176.7 | 177.4 | 46.2 | 0 | 0 | 0 | 111.9 | D126 Q132 E133 Q134 | D126-D130 PolarHBondContact O-N 3.45Å; D130-Q132 VanDerWaalsContact C-N 3.33Å; D130-Q132 PolarHBondContact O-N 3.3Å; D130-E133 PolarHBondContact O-N 3.16Å; D130-Q134 VanDerWaalsContact CG-NE2 3.33Å; D130-Q134 WeakPolarHBondContact O-CB 3.32Å; D130-Q134 WeakPolarHBondContact O-CG 3.46Å; D130-Q134 PolarHBondContact O-N 3.19Å; D130-Q134 PolarHBondContact OD1-NE2 3.24Å; D130-Q134 VanDerWaalsContact OD1-NE2 3.13Å; D130-Q134 PolarHBondContact OD2-NE2 2.97Å |
| 131 | L | 87.4 | Confident | 80.2 | Confident | 88 Ų | 88 | 99.3 Ų | 99.3 | 46% | 0.461 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.1 | -36.1 | 173.4 | -72 | 173.6 | 0 | 0 | 0 | 112.3 | I127 I128 I135 | I127-L131 HydrophobicContact CG2-CD1 4.08Å; I127-L131 WeakPolarHBondContact O-CB 3.48Å; I127-L131 VanDerWaalsContact O-CG 3.3Å; I127-L131 WeakPolarHBondContact O-CG 3.44Å; I127-L131 PolarHBondContact O-N 3.33Å; I128-L131 PolarHBondContact O-N 2.89Å; L131-I135 WeakPolarHBondContact O-CB 2.88Å; L131-I135 WeakPolarHBondContact O-CD1 3.49Å; L131-I135 WeakPolarHBondContact O-CG1 3.19Å; L131-I135 PolarHBondContact O-N 3.49Å |
| 132 | Q | 86.2 | Confident | 82.4 | Confident | 121 Ų | 121 | 94 Ų | 94 | 57% | 0.565 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.9 | -39 | 174.1 | -78.8 | 173.4 | -21.1 | 0 | 0 | 111.8 | I128 S129 D130 I135 A136 | I128-Q132 HydrophobicContact CG2-CG 4.29Å; I128-Q132 VanDerWaalsContact O-CB 3.31Å; I128-Q132 WeakPolarHBondContact O-CB 3.23Å; I128-Q132 WeakPolarHBondContact O-CG 3.47Å; I128-Q132 PolarHBondContact O-N 2.99Å; S129-Q132 WeakPolarHBondContact O-CB 3.43Å; S129-Q132 PolarHBondContact O-N 3.42Å; D130-Q132 VanDerWaalsContact C-N 3.33Å; D130-Q132 PolarHBondContact O-N 3.3Å; Q132-I135 PolarHBondContact O-N 3.45Å; Q132-A136 WeakPolarHBondContact O-CB 3.39Å; Q132-A136 PolarHBondContact O-N 3.38Å |
| 133 | E | 88 | Confident | 84.7 | Confident | 115 Ų | 115 | 92.9 Ų | 92.9 | 54% | 0.537 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.8 | -47.3 | 175.5 | -175.6 | 167.2 | -159.5 | 0 | 0 | 111.2 | S129 D130 I135 A136 E137 | S129-E133 WeakPolarHBondContact O-CB 3.49Å; S129-E133 PolarHBondContact O-N 3.49Å; D130-E133 PolarHBondContact O-N 3.16Å; E133-I135 VanDerWaalsContact C-N 3.31Å; E133-I135 PolarHBondContact O-N 2.94Å; E133-A136 CarbonylContact O-C 3.54Å; E133-A136 WeakPolarHBondContact O-CA 3.38Å; E133-A136 WeakPolarHBondContact O-CB 3.47Å; E133-A136 PolarHBondContact O-N 3.34Å; E133-E137 WeakPolarHBondContact O-CG 3.38Å; E133-E137 PolarHBondContact O-N 2.83Å |
| 134 | Q | 90.1 | Very high | 86.6 | Confident | 82 Ų | 82 | 94.3 Ų | 94.3 | 38% | 0.383 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.4 | -39.9 | 173.9 | -73 | 174.9 | 34.2 | 0 | 0 | 112.3 | D130 A136 E137 L138 | D130-Q134 VanDerWaalsContact CG-NE2 3.33Å; D130-Q134 WeakPolarHBondContact O-CB 3.32Å; D130-Q134 WeakPolarHBondContact O-CG 3.46Å; D130-Q134 PolarHBondContact O-N 3.19Å; D130-Q134 PolarHBondContact OD1-NE2 3.24Å; D130-Q134 VanDerWaalsContact OD1-NE2 3.13Å; D130-Q134 PolarHBondContact OD2-NE2 2.97Å; Q134-A136 VanDerWaalsContact C-N 3.32Å; Q134-E137 PolarHBondContact O-N 3.29Å; Q134-L138 VanDerWaalsContact O-CB 3.28Å; Q134-L138 WeakPolarHBondContact O-CB 3.5Å; Q134-L138 VanDerWaalsContact O-CG 3.27Å; Q134-L138 WeakPolarHBondContact O-CG 3.42Å; Q134-L138 PolarHBondContact O-N 2.86Å |
| 135 | I | 89.7 | Confident | 87.7 | Confident | 101 Ų | 101 | 89.8 Ų | 89.8 | 52% | 0.518 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 173.1 | -72.4 | 165.5 | 0 | 0 | 0 | 110.3 | L131 Q132 E133 M139 | L131-I135 WeakPolarHBondContact O-CB 2.88Å; L131-I135 WeakPolarHBondContact O-CD1 3.49Å; L131-I135 WeakPolarHBondContact O-CG1 3.19Å; L131-I135 PolarHBondContact O-N 3.49Å; Q132-I135 PolarHBondContact O-N 3.45Å; E133-I135 VanDerWaalsContact C-N 3.31Å; E133-I135 PolarHBondContact O-N 2.94Å; I135-M139 HydrophobicContact CG2-CE 4.11Å; I135-M139 WeakPolarHBondContact O-CB 3.49Å; I135-M139 PolarHBondContact O-N 3.47Å |
| 136 | A | 91.1 | Very high | 88.6 | Confident | 58 Ų | 58 | 89.2 Ų | 89.2 | 48% | 0.479 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.3 | -42.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q132 E133 Q134 M139 A140 | Q132-A136 WeakPolarHBondContact O-CB 3.39Å; Q132-A136 PolarHBondContact O-N 3.38Å; E133-A136 CarbonylContact O-C 3.54Å; E133-A136 WeakPolarHBondContact O-CA 3.38Å; E133-A136 WeakPolarHBondContact O-CB 3.47Å; E133-A136 PolarHBondContact O-N 3.34Å; Q134-A136 VanDerWaalsContact C-N 3.32Å; A136-M139 PolarHBondContact O-N 3.45Å; A136-A140 WeakPolarHBondContact O-CB 3.48Å; A136-A140 PolarHBondContact O-N 3.4Å |
| 137 | E | 91.3 | Very high | 89.7 | Confident | 112 Ų | 112 | 91.2 Ų | 91.2 | 52% | 0.523 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.1 | -47 | 175.8 | -72.3 | -174 | 166.6 | 0 | 0 | 111.7 | E133 Q134 M139 A140 I141 | E133-E137 WeakPolarHBondContact O-CG 3.38Å; E133-E137 PolarHBondContact O-N 2.83Å; Q134-E137 PolarHBondContact O-N 3.29Å; E137-M139 VanDerWaalsContact C-N 3.29Å; E137-M139 PolarHBondContact O-N 2.94Å; E137-A140 PolarHBondContact O-N 2.85Å; E137-I141 VanDerWaalsContact O-CG1 3.29Å; E137-I141 WeakPolarHBondContact O-CG1 3.37Å; E137-I141 PolarHBondContact O-N 3.39Å |
| 138 | L | 92.8 | Very high | 90.5 | Very high | 102 Ų | 102 | 90.7 Ų | 90.7 | 53% | 0.534 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 175.4 | -75.8 | 170.8 | 0 | 0 | 0 | 111.3 | Q134 I141 I142 | Q134-L138 VanDerWaalsContact O-CB 3.28Å; Q134-L138 WeakPolarHBondContact O-CB 3.5Å; Q134-L138 VanDerWaalsContact O-CG 3.27Å; Q134-L138 WeakPolarHBondContact O-CG 3.42Å; Q134-L138 PolarHBondContact O-N 2.86Å; L138-I141 PolarHBondContact O-N 3.16Å; L138-I142 WeakPolarHBondContact O-CB 3.28Å; L138-I142 WeakPolarHBondContact O-CD1 3.42Å; L138-I142 WeakPolarHBondContact O-CG1 3.35Å; L138-I142 PolarHBondContact O-N 2.81Å |
| 139 | M | 92.1 | Very high | 91.1 | Very high | 99 Ų | 99 | 93 Ų | 93 | 49% | 0.488 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 175.1 | -168.2 | 174.5 | -55 | 0 | 0 | 111.3 | I135 A136 E137 I141 I142 E143 | I135-M139 HydrophobicContact CG2-CE 4.11Å; I135-M139 WeakPolarHBondContact O-CB 3.49Å; I135-M139 PolarHBondContact O-N 3.47Å; A136-M139 PolarHBondContact O-N 3.45Å; E137-M139 VanDerWaalsContact C-N 3.29Å; E137-M139 PolarHBondContact O-N 2.94Å; M139-I141 PolarHBondContact O-N 3.47Å; M139-I142 PolarHBondContact O-N 2.96Å; M139-E143 WeakPolarHBondContact O-CB 3.28Å; M139-E143 VanDerWaalsContact O-CG 3.28Å; M139-E143 WeakPolarHBondContact O-CG 3.47Å; M139-E143 PolarHBondContact O-N 2.68Å |
| 140 | A | 92.4 | Very high | 91.6 | Very high | 50 Ų | 50 | 96.3 Ų | 96.3 | 41% | 0.413 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A136 E137 Q144 | A136-A140 WeakPolarHBondContact O-CB 3.48Å; A136-A140 PolarHBondContact O-N 3.4Å; E137-A140 PolarHBondContact O-N 2.85Å; A140-Q144 VanDerWaalsContact O-CB 3.25Å; A140-Q144 WeakPolarHBondContact O-CB 3.37Å; A140-Q144 PolarHBondContact O-N 2.89Å |
| 141 | I | 92.7 | Very high | 92.1 | Very high | 94 Ų | 94 | 95.9 Ų | 95.9 | 48% | 0.482 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.4 | -46.9 | 175.2 | -68.1 | 166.5 | 0 | 0 | 0 | 110.6 | E137 L138 M139 E143 Q144 M145 | E137-I141 VanDerWaalsContact O-CG1 3.29Å; E137-I141 WeakPolarHBondContact O-CG1 3.37Å; E137-I141 PolarHBondContact O-N 3.39Å; L138-I141 PolarHBondContact O-N 3.16Å; M139-I141 PolarHBondContact O-N 3.47Å; I141-E143 VanDerWaalsContact C-N 3.34Å; I141-E143 PolarHBondContact O-N 2.95Å; I141-Q144 PolarHBondContact O-N 3.48Å; I141-M145 HydrophobicContact CG2-CG 4.36Å; I141-M145 HydrophobicContact CG2-SD 4.05Å; I141-M145 WeakPolarHBondContact O-CB 3.37Å; I141-M145 WeakPolarHBondContact O-CG 3.45Å; I141-M145 PolarHBondContact O-N 3.17Å |
| 142 | I | 92.7 | Very high | 92.5 | Very high | 98 Ų | 98 | 94.3 Ų | 94.3 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 178 | -71.2 | 165.7 | 0 | 0 | 0 | 110.6 | L138 M139 M145 N146 | L138-I142 WeakPolarHBondContact O-CB 3.28Å; L138-I142 WeakPolarHBondContact O-CD1 3.42Å; L138-I142 WeakPolarHBondContact O-CG1 3.35Å; L138-I142 PolarHBondContact O-N 2.81Å; M139-I142 PolarHBondContact O-N 2.96Å; I142-M145 PolarHBondContact O-N 2.72Å; I142-N146 WeakPolarHBondContact O-CB 3.46Å; I142-N146 PolarHBondContact O-N 2.96Å; I142-N146 PolarHBondContact O-ND2 3.35Å |
| 143 | E | 93 | Very high | 92.9 | Very high | 93 Ų | 93 | 93.4 Ų | 93.4 | 44% | 0.435 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 176 | -74.4 | -179.7 | -175.4 | 0 | 0 | 112.3 | M139 I141 N146 R147 | M139-E143 WeakPolarHBondContact O-CB 3.28Å; M139-E143 VanDerWaalsContact O-CG 3.28Å; M139-E143 WeakPolarHBondContact O-CG 3.47Å; M139-E143 PolarHBondContact O-N 2.68Å; I141-E143 VanDerWaalsContact C-N 3.34Å; I141-E143 PolarHBondContact O-N 2.95Å; E143-N146 PolarHBondContact O-N 3.19Å; E143-R147 WeakPolarHBondContact O-CG 3.48Å; E143-R147 PolarHBondContact O-N 3.23Å; E143-R147 IonicContact OE2-NH1 3.32Å |
| 144 | Q | 93.6 | Very high | 93.3 | Very high | 81 Ų | 81 | 94.5 Ų | 94.5 | 38% | 0.379 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.8 | -47.6 | 175.9 | -175 | 58 | 32.6 | 0 | 0 | 111.3 | A140 I141 N146 R147 D148 | A140-Q144 VanDerWaalsContact O-CB 3.25Å; A140-Q144 WeakPolarHBondContact O-CB 3.37Å; A140-Q144 PolarHBondContact O-N 2.89Å; I141-Q144 PolarHBondContact O-N 3.48Å; Q144-N146 VanDerWaalsContact C-N 3.29Å; Q144-N146 PolarHBondContact O-N 3.46Å; Q144-R147 WeakPolarHBondContact O-CB 3.45Å; Q144-R147 PolarHBondContact O-N 2.9Å; Q144-R147 VanDerWaalsContact O-N 3.14Å; Q144-D148 PolarHBondContact NE2-OD1 3.02Å; Q144-D148 PolarHBondContact NE2-OD2 3.19Å; Q144-D148 VanDerWaalsContact NE2-OD2 3.13Å; Q144-D148 WeakPolarHBondContact O-CB 3.44Å; Q144-D148 VanDerWaalsContact O-CG 3.3Å; Q144-D148 PolarHBondContact O-N 3.2Å |
| 145 | M | 92.9 | Very high | 93.6 | Very high | 120 Ų | 120 | 96.5 Ų | 96.5 | 59% | 0.591 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.1 | -41.8 | 174.6 | -75 | -179.5 | 62.5 | 0 | 0 | 111.7 | I141 I142 D148 Q149 | I141-M145 HydrophobicContact CG2-CG 4.36Å; I141-M145 HydrophobicContact CG2-SD 4.05Å; I141-M145 WeakPolarHBondContact O-CB 3.37Å; I141-M145 WeakPolarHBondContact O-CG 3.45Å; I141-M145 PolarHBondContact O-N 3.17Å; I142-M145 PolarHBondContact O-N 2.72Å; M145-D148 PolarHBondContact O-N 3.39Å; M145-Q149 WeakPolarHBondContact O-CB 3.36Å; M145-Q149 PolarHBondContact O-N 2.83Å |
| 146 | N | 94.8 | Very high | 93.8 | Very high | 80 Ų | 80 | 96.1 Ų | 96.1 | 43% | 0.428 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 175.6 | -80.8 | -31.8 | 0 | 0 | 0 | 112 | I142 E143 Q144 Q150 | I142-N146 WeakPolarHBondContact O-CB 3.46Å; I142-N146 PolarHBondContact O-N 2.96Å; I142-N146 PolarHBondContact O-ND2 3.35Å; E143-N146 PolarHBondContact O-N 3.19Å; Q144-N146 VanDerWaalsContact C-N 3.29Å; Q144-N146 PolarHBondContact O-N 3.46Å; N146-Q150 WeakPolarHBondContact O-CB 3.45Å; N146-Q150 VanDerWaalsContact O-CG 3.22Å; N146-Q150 WeakPolarHBondContact O-CG 3.3Å; N146-Q150 PolarHBondContact O-N 2.9Å |
| 147 | R | 94.1 | Very high | 94.1 | Very high | 119 Ų | 119 | 96.2 Ų | 96.2 | 45% | 0.449 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 174.6 | -75.2 | -174 | -66.6 | -95.6 | 2.2 | 111.4 | E143 Q144 Q150 S151 | E143-R147 WeakPolarHBondContact O-CG 3.48Å; E143-R147 PolarHBondContact O-N 3.23Å; E143-R147 IonicContact OE2-NH1 3.32Å; Q144-R147 WeakPolarHBondContact O-CB 3.45Å; Q144-R147 PolarHBondContact O-N 2.9Å; Q144-R147 VanDerWaalsContact O-N 3.14Å; R147-Q150 PolarHBondContact O-N 3.46Å; R147-S151 WeakPolarHBondContact O-CB 3.35Å; R147-S151 PolarHBondContact O-N 2.93Å |
| 148 | D | 94.8 | Very high | 94.3 | Very high | 79 Ų | 79 | 97 Ų | 97 | 42% | 0.422 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.8 | -44.6 | -179.7 | -69 | -21.1 | 0 | 0 | 0 | 111 | Q144 M145 Q150 S151 A152 | Q144-D148 PolarHBondContact NE2-OD1 3.02Å; Q144-D148 PolarHBondContact NE2-OD2 3.19Å; Q144-D148 VanDerWaalsContact NE2-OD2 3.13Å; Q144-D148 WeakPolarHBondContact O-CB 3.44Å; Q144-D148 VanDerWaalsContact O-CG 3.3Å; Q144-D148 PolarHBondContact O-N 3.2Å; M145-D148 PolarHBondContact O-N 3.39Å; D148-Q150 PolarHBondContact O-N 3.21Å; D148-S151 PolarHBondContact O-N 2.9Å; D148-S151 VanDerWaalsContact O-N 3.17Å; D148-S151 PolarHBondContact O-OG 2.83Å; D148-A152 WeakPolarHBondContact O-CB 3.27Å; D148-A152 PolarHBondContact O-N 3.49Å |
| 149 | Q | 94.1 | Very high | 94.5 | Very high | 119 Ų | 119 | 95 Ų | 95 | 56% | 0.556 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.8 | -46.1 | 174.5 | -179.6 | 177.3 | -21.3 | 0 | 0 | 111.5 | M145 S151 A152 L153 | M145-Q149 WeakPolarHBondContact O-CB 3.36Å; M145-Q149 PolarHBondContact O-N 2.83Å; Q149-S151 VanDerWaalsContact C-N 3.31Å; Q149-S151 PolarHBondContact O-N 2.97Å; Q149-A152 PolarHBondContact O-N 3.35Å; Q149-L153 HydrophobicContact CG-CD1 4.18Å; Q149-L153 WeakPolarHBondContact O-CB 3.45Å; Q149-L153 VanDerWaalsContact O-CG 3.29Å; Q149-L153 WeakPolarHBondContact O-CG 3.36Å; Q149-L153 PolarHBondContact O-N 2.84Å |
| 150 | Q | 95.1 | Very high | 94.7 | Very high | 134 Ų | 134 | 94.5 Ų | 94.5 | 63% | 0.626 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.7 | -39 | 175.5 | -74.4 | 176.8 | 7.1 | 0 | 0 | 111.9 | N146 R147 D148 K154 | N146-Q150 WeakPolarHBondContact O-CB 3.45Å; N146-Q150 VanDerWaalsContact O-CG 3.22Å; N146-Q150 WeakPolarHBondContact O-CG 3.3Å; N146-Q150 PolarHBondContact O-N 2.9Å; R147-Q150 PolarHBondContact O-N 3.46Å; D148-Q150 PolarHBondContact O-N 3.21Å; Q150-K154 VanDerWaalsContact O-CB 3.31Å; Q150-K154 WeakPolarHBondContact O-CB 3.48Å; Q150-K154 PolarHBondContact O-N 3.41Å |
| 151 | S | 95.5 | Very high | 94.9 | Very high | 68 Ų | 68 | 96.5 Ų | 96.5 | 48% | 0.476 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 177 | 84.6 | 0 | 0 | 0 | 0 | 111.9 | R147 D148 Q149 K154 L155 | R147-S151 WeakPolarHBondContact O-CB 3.35Å; R147-S151 PolarHBondContact O-N 2.93Å; D148-S151 PolarHBondContact O-N 2.9Å; D148-S151 VanDerWaalsContact O-N 3.17Å; D148-S151 PolarHBondContact O-OG 2.83Å; Q149-S151 VanDerWaalsContact C-N 3.31Å; Q149-S151 PolarHBondContact O-N 2.97Å; S151-K154 PolarHBondContact O-N 3.48Å; S151-L155 WeakPolarHBondContact O-CB 3.43Å; S151-L155 PolarHBondContact O-N 3.49Å |
| 152 | A | 94.9 | Very high | 95.1 | Very high | 56 Ų | 56 | 97.5 Ų | 97.5 | 46% | 0.463 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.9 | -42.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D148 Q149 K154 L155 L156 | D148-A152 WeakPolarHBondContact O-CB 3.27Å; D148-A152 PolarHBondContact O-N 3.49Å; Q149-A152 PolarHBondContact O-N 3.35Å; A152-K154 VanDerWaalsContact C-N 3.34Å; A152-K154 PolarHBondContact O-N 3.33Å; A152-L155 PolarHBondContact O-N 3.3Å; A152-L156 VanDerWaalsContact O-CB 3.27Å; A152-L156 WeakPolarHBondContact O-CB 3.36Å; A152-L156 PolarHBondContact O-N 3.35Å |
| 153 | L | 94.9 | Very high | 95.3 | Very high | 101 Ų | 101 | 100.4 Ų | 100.4 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 173.1 | -73.3 | 173.5 | 0 | 0 | 0 | 111.7 | Q149 L156 S157 | Q149-L153 HydrophobicContact CG-CD1 4.18Å; Q149-L153 WeakPolarHBondContact O-CB 3.45Å; Q149-L153 VanDerWaalsContact O-CG 3.29Å; Q149-L153 WeakPolarHBondContact O-CG 3.36Å; Q149-L153 PolarHBondContact O-N 2.84Å; L153-L156 PolarHBondContact O-N 2.83Å; L153-S157 WeakPolarHBondContact O-CB 3.41Å; L153-S157 PolarHBondContact O-N 2.83Å |
| 154 | K | 95.9 | Very high | 95.4 | Very high | 139 Ų | 139 | 100.1 Ų | 100.1 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.1 | -39 | 177.2 | -169.8 | 175.6 | -174.7 | 175.8 | 0 | 112.2 | Q150 S151 A152 K158 | Q150-K154 VanDerWaalsContact O-CB 3.31Å; Q150-K154 WeakPolarHBondContact O-CB 3.48Å; Q150-K154 PolarHBondContact O-N 3.41Å; S151-K154 PolarHBondContact O-N 3.48Å; A152-K154 VanDerWaalsContact C-N 3.34Å; A152-K154 PolarHBondContact O-N 3.33Å; K154-K158 WeakPolarHBondContact O-CG 3.43Å; K154-K158 PolarHBondContact O-N 2.99Å; K154-K158 VanDerWaalsContact O-N 3.13Å |
| 155 | L | 96.3 | Very high | 95.6 | Very high | 123 Ų | 123 | 99.8 Ų | 99.8 | 64% | 0.644 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67 | -45.9 | 175.5 | -175.9 | 67.2 | 0 | 0 | 0 | 111 | S151 A152 S157 K158 D159 | S151-L155 WeakPolarHBondContact O-CB 3.43Å; S151-L155 PolarHBondContact O-N 3.49Å; A152-L155 PolarHBondContact O-N 3.3Å; L155-S157 VanDerWaalsContact C-N 3.35Å; L155-S157 PolarHBondContact O-N 3.45Å; L155-K158 PolarHBondContact O-N 3.4Å; L155-D159 PolarHBondContact O-N 2.85Å |
| 156 | L | 95.8 | Very high | 95.7 | Very high | 94 Ų | 94 | 98.9 Ų | 98.9 | 49% | 0.492 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 176.3 | -178.3 | 62.3 | 0 | 0 | 0 | 111.2 | A152 L153 K158 D159 L160 | A152-L156 VanDerWaalsContact O-CB 3.27Å; A152-L156 WeakPolarHBondContact O-CB 3.36Å; A152-L156 PolarHBondContact O-N 3.35Å; L153-L156 PolarHBondContact O-N 2.83Å; L156-K158 VanDerWaalsContact C-N 3.32Å; L156-K158 PolarHBondContact O-N 3.25Å; L156-D159 PolarHBondContact O-N 3.49Å; L156-L160 HydrophobicContact CD1-CG 4.38Å; L156-L160 HydrophobicContact CG-CD1 4.2Å; L156-L160 HydrophobicContact CG-CG 4.48Å; L156-L160 WeakPolarHBondContact O-CB 3.49Å; L156-L160 VanDerWaalsContact O-CG 3.32Å; L156-L160 WeakPolarHBondContact O-CG 3.35Å; L156-L160 PolarHBondContact O-N 2.96Å |
| 157 | S | 95.8 | Very high | 95.8 | Very high | 60 Ų | 60 | 101.1 Ų | 101.1 | 42% | 0.42 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -56.3 | -46.6 | 174.5 | -172.5 | 0 | 0 | 0 | 0 | 111.4 | L153 L155 L160 D161 | L153-S157 WeakPolarHBondContact O-CB 3.41Å; L153-S157 PolarHBondContact O-N 2.83Å; L155-S157 VanDerWaalsContact C-N 3.35Å; L155-S157 PolarHBondContact O-N 3.45Å; S157-L160 PolarHBondContact O-N 3.37Å; S157-D161 WeakPolarHBondContact O-CB 3.37Å; S157-D161 VanDerWaalsContact O-CG 3.23Å; S157-D161 PolarHBondContact O-N 3.04Å |
| 158 | K | 96.9 | Very high | 95.9 | Very high | 129 Ų | 129 | 102 Ų | 102 | 56% | 0.561 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.7 | -40.9 | 177.9 | -72.9 | 174.4 | 178 | -174.4 | 0 | 112.9 | K154 L155 L156 D161 L162 | K154-K158 WeakPolarHBondContact O-CG 3.43Å; K154-K158 PolarHBondContact O-N 2.99Å; K154-K158 VanDerWaalsContact O-N 3.13Å; L155-K158 PolarHBondContact O-N 3.4Å; L156-K158 VanDerWaalsContact C-N 3.32Å; L156-K158 PolarHBondContact O-N 3.25Å; K158-D161 PolarHBondContact O-N 2.68Å; K158-L162 WeakPolarHBondContact O-CB 3.47Å; K158-L162 PolarHBondContact O-N 3.41Å |
| 159 | D | 96.7 | Very high | 96.1 | Very high | 58 Ų | 58 | 104.2 Ų | 104.2 | 31% | 0.31 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 175.7 | -175.7 | 59.8 | 0 | 0 | 0 | 111 | L155 L156 L162 R163 | L155-D159 PolarHBondContact O-N 2.85Å; L156-D159 PolarHBondContact O-N 3.49Å; D159-L162 PolarHBondContact O-N 3.39Å; D159-R163 WeakPolarHBondContact O-CG 3.43Å; D159-R163 PolarHBondContact O-N 3.24Å; D159-R163 IonicContact OD1-NE 2.79Å; D159-R163 IonicContact OD2-CZ 2.89Å; D159-R163 IonicContact OD2-NE 3.93Å; D159-R163 PolarHBondContact OD2-NE 2.86Å; D159-R163 IonicContact OD2-NH2 2.92Å; D159-R163 PolarHBondContact OD2-NH2 3.28Å |
| 160 | L | 96.2 | Very high | 96.2 | Very high | 89 Ų | 89 | 103.7 Ų | 103.7 | 47% | 0.466 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 175.3 | -70 | 175.7 | 0 | 0 | 0 | 111.8 | L156 S157 L162 R163 C164 | L156-L160 HydrophobicContact CD1-CG 4.38Å; L156-L160 HydrophobicContact CG-CD1 4.2Å; L156-L160 HydrophobicContact CG-CG 4.48Å; L156-L160 WeakPolarHBondContact O-CB 3.49Å; L156-L160 VanDerWaalsContact O-CG 3.32Å; L156-L160 WeakPolarHBondContact O-CG 3.35Å; L156-L160 PolarHBondContact O-N 2.96Å; S157-L160 PolarHBondContact O-N 3.37Å; L160-L162 VanDerWaalsContact C-N 3.31Å; L160-L162 PolarHBondContact O-N 2.96Å; L160-R163 PolarHBondContact O-N 3Å; L160-C164 WeakPolarHBondContact O-CB 3.31Å; L160-C164 PolarHBondContact O-N 2.85Å; L160-C164 PolarHBondContact O-SG 2.86Å |
| 161 | D | 96.6 | Very high | 96.3 | Very high | 93 Ų | 93 | 104 Ų | 104 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | 176.6 | -70.6 | -30.3 | 0 | 0 | 0 | 111.9 | S157 K158 C164 S165 | S157-D161 WeakPolarHBondContact O-CB 3.37Å; S157-D161 VanDerWaalsContact O-CG 3.23Å; S157-D161 PolarHBondContact O-N 3.04Å; K158-D161 PolarHBondContact O-N 2.68Å; D161-C164 PolarHBondContact O-N 3.42Å; D161-S165 WeakPolarHBondContact O-CB 3.48Å; D161-S165 PolarHBondContact O-N 2.73Å; D161-S165 PolarHBondContact O-OG 2.87Å |
| 162 | L | 97 | Very high | 96.4 | Very high | 115 Ų | 115 | 105.1 Ų | 105.1 | 60% | 0.602 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65 | -45.3 | 175.5 | -178.1 | 64.1 | 0 | 0 | 0 | 111.3 | K158 D159 L160 S165 N166 | K158-L162 WeakPolarHBondContact O-CB 3.47Å; K158-L162 PolarHBondContact O-N 3.41Å; D159-L162 PolarHBondContact O-N 3.39Å; L160-L162 VanDerWaalsContact C-N 3.31Å; L160-L162 PolarHBondContact O-N 2.96Å; L162-S165 PolarHBondContact O-N 3.24Å; L162-N166 WeakPolarHBondContact O-CB 3.48Å; L162-N166 PolarHBondContact O-N 3.26Å |
| 163 | R | 96.4 | Very high | 96.5 | Very high | 159 Ų | 159 | 104.6 Ų | 104.6 | 60% | 0.6 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.6 | -43.9 | 176 | -72.6 | -178.4 | -164.1 | -155.4 | 7.1 | 111.8 | D159 L160 S165 N166 M167 | D159-R163 WeakPolarHBondContact O-CG 3.43Å; D159-R163 PolarHBondContact O-N 3.24Å; D159-R163 IonicContact OD1-NE 2.79Å; D159-R163 IonicContact OD2-CZ 2.89Å; D159-R163 IonicContact OD2-NE 3.93Å; D159-R163 PolarHBondContact OD2-NE 2.86Å; D159-R163 IonicContact OD2-NH2 2.92Å; D159-R163 PolarHBondContact OD2-NH2 3.28Å; L160-R163 PolarHBondContact O-N 3Å; R163-S165 VanDerWaalsContact C-N 3.33Å; R163-S165 PolarHBondContact O-N 2.92Å; R163-N166 PolarHBondContact O-N 3.05Å; R163-M167 WeakPolarHBondContact O-CB 3.46Å; R163-M167 PolarHBondContact O-N 3.37Å |
| 164 | C | 95.4 | Very high | 96.6 | Very high | 87 Ų | 87 | 104.4 Ų | 104.4 | 59% | 0.588 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.6 | -44.5 | 175 | -74.8 | 0 | 0 | 0 | 0 | 111.4 | L160 D161 K168 | L160-C164 WeakPolarHBondContact O-CB 3.31Å; L160-C164 PolarHBondContact O-N 2.85Å; L160-C164 PolarHBondContact O-SG 2.86Å; D161-C164 PolarHBondContact O-N 3.42Å; C164-K168 VanDerWaalsContact O-CB 3.31Å; C164-K168 WeakPolarHBondContact O-CB 3.49Å; C164-K168 PolarHBondContact O-N 3.46Å |
| 165 | S | 96.7 | Very high | 96.6 | Very high | 74 Ų | 74 | 99.5 Ų | 99.5 | 52% | 0.517 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.1 | -44.2 | 178.8 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | D161 L162 R163 K168 Q169 | D161-S165 WeakPolarHBondContact O-CB 3.48Å; D161-S165 PolarHBondContact O-N 2.73Å; D161-S165 PolarHBondContact O-OG 2.87Å; L162-S165 PolarHBondContact O-N 3.24Å; R163-S165 VanDerWaalsContact C-N 3.33Å; R163-S165 PolarHBondContact O-N 2.92Å; S165-K168 PolarHBondContact O-N 2.92Å; S165-Q169 WeakPolarHBondContact O-CB 3.41Å; S165-Q169 PolarHBondContact O-N 3.48Å |
| 166 | N | 96.7 | Very high | 96.7 | Very high | 100 Ų | 100 | 101 Ų | 101 | 54% | 0.535 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 177.2 | -173.4 | -35.4 | 0 | 0 | 0 | 111.1 | L162 R163 K168 Q169 K170 | L162-N166 WeakPolarHBondContact O-CB 3.48Å; L162-N166 PolarHBondContact O-N 3.26Å; R163-N166 PolarHBondContact O-N 3.05Å; N166-K168 VanDerWaalsContact C-N 3.31Å; N166-K168 PolarHBondContact O-N 3.09Å; N166-Q169 PolarHBondContact O-N 2.81Å; N166-K170 WeakPolarHBondContact O-CB 3.45Å; N166-K170 PolarHBondContact O-N 3.02Å |
| 167 | M | 96.3 | Very high | 96.8 | Very high | 128 Ų | 128 | 102.2 Ų | 102.2 | 63% | 0.631 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.7 | -42.7 | 177.8 | -171.6 | 64.7 | 72 | 0 | 0 | 111.7 | R163 K170 F171 | R163-M167 WeakPolarHBondContact O-CB 3.46Å; R163-M167 PolarHBondContact O-N 3.37Å; M167-K170 PolarHBondContact O-N 3.34Å; M167-F171 PolarHBondContact O-N 3.41Å |
| 168 | K | 96.7 | Very high | 96.8 | Very high | 136 Ų | 136 | 105.1 Ų | 105.1 | 59% | 0.591 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.5 | -47.7 | 176.1 | -176.6 | 176.6 | 176.4 | -177.9 | 0 | 111.7 | C164 S165 N166 K170 F171 E172 | C164-K168 VanDerWaalsContact O-CB 3.31Å; C164-K168 WeakPolarHBondContact O-CB 3.49Å; C164-K168 PolarHBondContact O-N 3.46Å; S165-K168 PolarHBondContact O-N 2.92Å; N166-K168 VanDerWaalsContact C-N 3.31Å; N166-K168 PolarHBondContact O-N 3.09Å; K168-K170 VanDerWaalsContact C-N 3.33Å; K168-K170 PolarHBondContact O-N 2.97Å; K168-F171 PolarHBondContact O-N 3.44Å; K168-E172 WeakPolarHBondContact CE-OE1 3.48Å; K168-E172 WeakPolarHBondContact O-CB 3.48Å; K168-E172 WeakPolarHBondContact O-CG 3.43Å; K168-E172 PolarHBondContact O-N 3.27Å |
| 169 | Q | 97.2 | Very high | 96.8 | Very high | 126 Ų | 126 | 105.5 Ų | 105.5 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.4 | -41.6 | 178.1 | -176.1 | -179.2 | 9.3 | 0 | 0 | 111.8 | S165 N166 E172 T173 | S165-Q169 WeakPolarHBondContact O-CB 3.41Å; S165-Q169 PolarHBondContact O-N 3.48Å; N166-Q169 PolarHBondContact O-N 2.81Å; Q169-E172 PolarHBondContact O-N 2.91Å; Q169-T173 WeakPolarHBondContact O-CB 3.42Å; Q169-T173 PolarHBondContact O-N 3.25Å; Q169-T173 PolarHBondContact O-OG1 3.34Å |
| 170 | K | 97.5 | Very high | 96.9 | Very high | 108 Ų | 108 | 106 Ų | 106 | 47% | 0.47 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.1 | -49.8 | 176.6 | -178.3 | 179.2 | 171.2 | -179.8 | 0 | 111 | N166 M167 K168 E172 T173 E174 | N166-K170 WeakPolarHBondContact O-CB 3.45Å; N166-K170 PolarHBondContact O-N 3.02Å; M167-K170 PolarHBondContact O-N 3.34Å; K168-K170 VanDerWaalsContact C-N 3.33Å; K168-K170 PolarHBondContact O-N 2.97Å; K170-E172 VanDerWaalsContact C-N 3.33Å; K170-E172 PolarHBondContact O-N 2.94Å; K170-T173 PolarHBondContact O-N 2.91Å; K170-T173 VanDerWaalsContact O-N 3.16Å; K170-E174 WeakPolarHBondContact CE-OE1 3.49Å; K170-E174 HydrophobicContact CG-CG 4.37Å; K170-E174 IonicContact NZ-OE1 3.58Å; K170-E174 WeakPolarHBondContact O-CB 3.25Å; K170-E174 WeakPolarHBondContact O-CG 3.48Å; K170-E174 PolarHBondContact O-N 3.48Å |
| 171 | F | 96.9 | Very high | 96.9 | Very high | 142 Ų | 142 | 104.8 Ų | 104.8 | 62% | 0.623 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.8 | -43 | 176.9 | 179.7 | -95.5 | 0 | 0 | 0 | 112.3 | M167 K168 T173 S175 | M167-F171 PolarHBondContact O-N 3.41Å; K168-F171 PolarHBondContact O-N 3.44Å; F171-T173 VanDerWaalsContact C-N 3.31Å; F171-T173 PolarHBondContact O-N 2.89Å; F171-S175 WeakPolarHBondContact O-CB 3.36Å; F171-S175 PolarHBondContact O-N 2.68Å |
| 172 | E | 97.4 | Very high | 97 | Very high | 91 Ų | 91 | 105.3 Ų | 105.3 | 43% | 0.425 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 176.2 | -75.1 | 174.1 | -173.4 | 0 | 0 | 112.2 | K168 Q169 K170 R176 | K168-E172 WeakPolarHBondContact CE-OE1 3.48Å; K168-E172 WeakPolarHBondContact O-CB 3.48Å; K168-E172 WeakPolarHBondContact O-CG 3.43Å; K168-E172 PolarHBondContact O-N 3.27Å; Q169-E172 PolarHBondContact O-N 2.91Å; K170-E172 VanDerWaalsContact C-N 3.33Å; K170-E172 PolarHBondContact O-N 2.94Å; E172-R176 WeakPolarHBondContact O-CB 3.4Å; E172-R176 PolarHBondContact O-N 3.43Å |
| 173 | T | 97.2 | Very high | 97 | Very high | 45 Ų | 45 | 106.2 Ų | 106.2 | 28% | 0.276 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.2 | -51.2 | 179.1 | -53.9 | 0 | 0 | 0 | 0 | 110.9 | Q169 K170 F171 S175 R176 E177 | Q169-T173 WeakPolarHBondContact O-CB 3.42Å; Q169-T173 PolarHBondContact O-N 3.25Å; Q169-T173 PolarHBondContact O-OG1 3.34Å; K170-T173 PolarHBondContact O-N 2.91Å; K170-T173 VanDerWaalsContact O-N 3.16Å; F171-T173 VanDerWaalsContact C-N 3.31Å; F171-T173 PolarHBondContact O-N 2.89Å; T173-S175 VanDerWaalsContact C-N 3.3Å; T173-S175 PolarHBondContact O-N 2.84Å; T173-R176 WeakPolarHBondContact O-CB 3.3Å; T173-R176 PolarHBondContact O-N 3.2Å; T173-R176 VanDerWaalsContact O-N 3.08Å; T173-E177 WeakPolarHBondContact O-CG 3.47Å; T173-E177 PolarHBondContact O-N 3.36Å |
| 174 | E | 97.4 | Very high | 97.1 | Very high | 97 Ų | 97 | 103.2 Ų | 103.2 | 45% | 0.453 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.6 | -40.3 | 176.4 | -70.9 | 176.2 | 167 | 0 | 0 | 111.5 | K170 R176 E177 L178 | K170-E174 WeakPolarHBondContact CE-OE1 3.49Å; K170-E174 HydrophobicContact CG-CG 4.37Å; K170-E174 IonicContact NZ-OE1 3.58Å; K170-E174 WeakPolarHBondContact O-CB 3.25Å; K170-E174 WeakPolarHBondContact O-CG 3.48Å; K170-E174 PolarHBondContact O-N 3.48Å; E174-R176 VanDerWaalsContact C-N 3.34Å; E174-R176 PolarHBondContact O-N 2.92Å; E174-E177 PolarHBondContact O-N 3.46Å; E174-L178 VanDerWaalsContact O-CB 3.28Å; E174-L178 WeakPolarHBondContact O-CB 3.47Å; E174-L178 PolarHBondContact O-N 3.18Å |
| 175 | S | 96.1 | Very high | 97.1 | Very high | 36 Ų | 36 | 103.9 Ų | 103.9 | 25% | 0.252 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.3 | -36.8 | 176 | -173.9 | 0 | 0 | 0 | 0 | 112.3 | F171 T173 K179 | F171-S175 WeakPolarHBondContact O-CB 3.36Å; F171-S175 PolarHBondContact O-N 2.68Å; T173-S175 VanDerWaalsContact C-N 3.3Å; T173-S175 PolarHBondContact O-N 2.84Å; S175-K179 WeakPolarHBondContact O-CB 3.34Å; S175-K179 WeakPolarHBondContact O-CD 3.46Å; S175-K179 VanDerWaalsContact O-CG 3.25Å; S175-K179 WeakPolarHBondContact O-CG 3.48Å; S175-K179 PolarHBondContact O-N 3.43Å |
| 176 | R | 97.7 | Very high | 97.2 | Very high | 154 Ų | 154 | 104.7 Ų | 104.7 | 58% | 0.581 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.5 | -48.5 | 176.3 | -170.9 | -172.3 | -57.6 | 118.3 | 3.9 | 110.9 | E172 T173 E174 K179 E180 | E172-R176 WeakPolarHBondContact O-CB 3.4Å; E172-R176 PolarHBondContact O-N 3.43Å; T173-R176 WeakPolarHBondContact O-CB 3.3Å; T173-R176 PolarHBondContact O-N 3.2Å; T173-R176 VanDerWaalsContact O-N 3.08Å; E174-R176 VanDerWaalsContact C-N 3.34Å; E174-R176 PolarHBondContact O-N 2.92Å; R176-K179 PolarHBondContact O-N 3.25Å; R176-E180 PolarHBondContact O-N 3.05Å |
| 177 | E | 97.2 | Very high | 97.2 | Very high | 119 Ų | 119 | 105.2 Ų | 105.2 | 56% | 0.556 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.3 | -49.2 | 178.4 | -73.1 | 174.2 | -173.7 | 0 | 0 | 110.9 | T173 E174 K179 E180 T181 | T173-E177 WeakPolarHBondContact O-CG 3.47Å; T173-E177 PolarHBondContact O-N 3.36Å; E174-E177 PolarHBondContact O-N 3.46Å; E177-K179 VanDerWaalsContact C-N 3.29Å; E177-K179 PolarHBondContact O-N 3.48Å; E177-E180 PolarHBondContact O-N 2.97Å; E177-T181 WeakPolarHBondContact O-CG2 3.34Å; E177-T181 PolarHBondContact O-N 3.35Å; E177-T181 PolarHBondContact O-OG1 3.11Å |
| 178 | L | 96.9 | Very high | 97.3 | Very high | 122 Ų | 122 | 105.4 Ų | 105.4 | 64% | 0.639 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.5 | -38.9 | 178.3 | -177.9 | 63.8 | 0 | 0 | 0 | 112.9 | E174 E180 T181 H182 | E174-L178 VanDerWaalsContact O-CB 3.28Å; E174-L178 WeakPolarHBondContact O-CB 3.47Å; E174-L178 PolarHBondContact O-N 3.18Å; L178-E180 VanDerWaalsContact C-N 3.34Å; L178-T181 PolarHBondContact O-OG1 3.03Å; L178-H182 VanDerWaalsContact O-CB 3.3Å; L178-H182 WeakPolarHBondContact O-CB 3.45Å; L178-H182 PolarHBondContact O-N 2.83Å; L178-H182 VanDerWaalsContact O-N 3.07Å |
| 179 | K | 97.2 | Very high | 97.3 | Very high | 137 Ų | 137 | 102.9 Ų | 102.9 | 60% | 0.596 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -68.1 | -35.5 | 176 | -77.2 | 172 | -178.4 | 170.4 | 0 | 112 | S175 R176 E177 R183 | S175-K179 WeakPolarHBondContact O-CB 3.34Å; S175-K179 WeakPolarHBondContact O-CD 3.46Å; S175-K179 VanDerWaalsContact O-CG 3.25Å; S175-K179 WeakPolarHBondContact O-CG 3.48Å; S175-K179 PolarHBondContact O-N 3.43Å; R176-K179 PolarHBondContact O-N 3.25Å; E177-K179 VanDerWaalsContact C-N 3.29Å; E177-K179 PolarHBondContact O-N 3.48Å; K179-R183 WeakPolarHBondContact O-CB 3.39Å; K179-R183 PolarHBondContact O-N 3.28Å; K179-R183 VanDerWaalsContact O-N 3.1Å |
| 180 | E | 97.6 | Very high | 97.4 | Very high | 69 Ų | 69 | 101.8 Ų | 101.8 | 32% | 0.322 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.2 | -48.9 | 177.9 | -161.4 | 61.4 | -143.1 | 0 | 0 | 111 | R176 E177 L178 H182 R183 E184 | R176-E180 PolarHBondContact O-N 3.05Å; E177-E180 PolarHBondContact O-N 2.97Å; L178-E180 VanDerWaalsContact C-N 3.34Å; E180-H182 VanDerWaalsContact C-N 3.26Å; E180-H182 PolarHBondContact O-N 3.4Å; E180-R183 WeakPolarHBondContact O-CA 3.35Å; E180-R183 WeakPolarHBondContact O-CB 2.81Å; E180-R183 PolarHBondContact O-N 2.89Å; E180-R183 IonicContact OE1-CZ 2.72Å; E180-R183 IonicContact OE1-NH1 3.56Å; E180-R183 PolarHBondContact OE1-NH1 3.49Å; E180-R183 IonicContact OE2-CZ 3.93Å; E180-R183 IonicContact OE2-NH1 3.72Å; E180-R183 PolarHBondContact OE2-NH1 3.39Å; E180-R183 IonicContact OE2-NH2 2.84Å; E180-R183 PolarHBondContact OE2-NH2 2.85Å; E180-E184 WeakPolarHBondContact O-CG 3.45Å; E180-E184 PolarHBondContact O-N 3.26Å |
| 181 | T | 97.3 | Very high | 97.4 | Very high | 62 Ų | 62 | 99.8 Ų | 99.8 | 38% | 0.38 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.9 | -40.4 | 177.2 | 59 | 0 | 0 | 0 | 0 | 111.4 | E177 L178 E184 E185 | E177-T181 WeakPolarHBondContact O-CG2 3.34Å; E177-T181 PolarHBondContact O-N 3.35Å; E177-T181 PolarHBondContact O-OG1 3.11Å; L178-T181 PolarHBondContact O-OG1 3.03Å; T181-E184 PolarHBondContact O-N 3.18Å; T181-E185 WeakPolarHBondContact O-CB 3.39Å; T181-E185 VanDerWaalsContact O-CG 3.31Å; T181-E185 WeakPolarHBondContact O-CG 3.4Å; T181-E185 PolarHBondContact O-N 2.97Å |
| 182 | H | 97.3 | Very high | 97.4 | Very high | 104 Ų | 104 | 97.1 Ų | 97.1 | 48% | 0.481 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65 | -40.2 | 175.7 | -174.8 | 56.2 | 0 | 0 | 0 | 112.3 | L178 E180 E185 L186 | L178-H182 VanDerWaalsContact O-CB 3.3Å; L178-H182 WeakPolarHBondContact O-CB 3.45Å; L178-H182 PolarHBondContact O-N 2.83Å; L178-H182 VanDerWaalsContact O-N 3.07Å; E180-H182 VanDerWaalsContact C-N 3.26Å; E180-H182 PolarHBondContact O-N 3.4Å; H182-E185 PolarHBondContact O-N 3.14Å; H182-L186 WeakPolarHBondContact NE2-CD1 3.19Å; H182-L186 WeakPolarHBondContact O-CG 3.48Å; H182-L186 PolarHBondContact O-N 2.97Å |
| 183 | R | 97.9 | Very high | 97.4 | Very high | 134 Ų | 134 | 100.5 Ų | 100.5 | 51% | 0.506 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62 | -46.3 | 175.4 | -171.2 | -168.7 | -56.3 | 139.2 | 17.5 | 111 | K179 E180 E185 L186 E187 | K179-R183 WeakPolarHBondContact O-CB 3.39Å; K179-R183 PolarHBondContact O-N 3.28Å; K179-R183 VanDerWaalsContact O-N 3.1Å; E180-R183 WeakPolarHBondContact O-CA 3.35Å; E180-R183 WeakPolarHBondContact O-CB 2.81Å; E180-R183 PolarHBondContact O-N 2.89Å; E180-R183 IonicContact OE1-CZ 2.72Å; E180-R183 IonicContact OE1-NH1 3.56Å; E180-R183 PolarHBondContact OE1-NH1 3.49Å; E180-R183 IonicContact OE2-CZ 3.93Å; E180-R183 IonicContact OE2-NH1 3.72Å; E180-R183 PolarHBondContact OE2-NH1 3.39Å; E180-R183 IonicContact OE2-NH2 2.84Å; E180-R183 PolarHBondContact OE2-NH2 2.85Å; R183-E185 PolarHBondContact O-N 3.48Å; R183-L186 PolarHBondContact O-N 3.14Å; R183-E187 WeakPolarHBondContact O-CB 3.47Å; R183-E187 PolarHBondContact O-N 3.04Å |
| 184 | E | 97.8 | Very high | 97.5 | Very high | 96 Ų | 96 | 102.9 Ų | 102.9 | 45% | 0.449 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | 178 | -69.4 | 175.5 | -179.4 | 0 | 0 | 112.2 | E180 T181 E187 R188 | E180-E184 WeakPolarHBondContact O-CG 3.45Å; E180-E184 PolarHBondContact O-N 3.26Å; T181-E184 PolarHBondContact O-N 3.18Å; E184-E187 PolarHBondContact O-N 3.34Å; E184-R188 VanDerWaalsContact O-CB 3.24Å; E184-R188 WeakPolarHBondContact O-CB 3.5Å; E184-R188 PolarHBondContact O-N 2.9Å |
| 185 | E | 97.1 | Very high | 97.5 | Very high | 102 Ų | 102 | 104.4 Ų | 104.4 | 48% | 0.477 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 174.8 | -78.1 | 174.9 | 177.9 | 0 | 0 | 112.2 | T181 H182 R183 R188 L189 | T181-E185 WeakPolarHBondContact O-CB 3.39Å; T181-E185 VanDerWaalsContact O-CG 3.31Å; T181-E185 WeakPolarHBondContact O-CG 3.4Å; T181-E185 PolarHBondContact O-N 2.97Å; H182-E185 PolarHBondContact O-N 3.14Å; R183-E185 PolarHBondContact O-N 3.48Å; E185-R188 PolarHBondContact O-N 3.43Å; E185-L189 VanDerWaalsContact O-CB 3.28Å; E185-L189 WeakPolarHBondContact O-CB 3.21Å; E185-L189 PolarHBondContact O-N 3.47Å |
| 186 | L | 97.4 | Very high | 97.6 | Very high | 90 Ų | 90 | 105.5 Ų | 105.5 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 176.1 | -74.5 | 177 | 0 | 0 | 0 | 111.6 | H182 R183 L189 E190 | H182-L186 WeakPolarHBondContact NE2-CD1 3.19Å; H182-L186 WeakPolarHBondContact O-CG 3.48Å; H182-L186 PolarHBondContact O-N 2.97Å; R183-L186 PolarHBondContact O-N 3.14Å; L186-L189 PolarHBondContact O-N 2.97Å; L186-E190 WeakPolarHBondContact O-CB 3.36Å; L186-E190 PolarHBondContact O-N 3.4Å |
| 187 | E | 97.8 | Very high | 97.6 | Very high | 112 Ų | 112 | 102.8 Ų | 102.8 | 52% | 0.523 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 177.6 | -176.7 | 173.9 | -170.9 | 0 | 0 | 111.3 | R183 E184 L189 E190 N191 | R183-E187 WeakPolarHBondContact O-CB 3.47Å; R183-E187 PolarHBondContact O-N 3.04Å; E184-E187 PolarHBondContact O-N 3.34Å; E187-L189 PolarHBondContact O-N 3.35Å; E187-E190 PolarHBondContact O-N 2.86Å; E187-N191 WeakPolarHBondContact O-CB 3.5Å; E187-N191 VanDerWaalsContact O-CG 3.23Å; E187-N191 PolarHBondContact O-N 3.36Å; E187-N191 PolarHBondContact O-ND2 2.95Å |
| 188 | R | 97.9 | Very high | 97.6 | Very high | 131 Ų | 131 | 104.4 Ų | 104.4 | 49% | 0.494 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 175.5 | -165.3 | -170.2 | -44.7 | 116.3 | 7.7 | 111.4 | E184 E185 N191 N192 | E184-R188 VanDerWaalsContact O-CB 3.24Å; E184-R188 WeakPolarHBondContact O-CB 3.5Å; E184-R188 PolarHBondContact O-N 2.9Å; E185-R188 PolarHBondContact O-N 3.43Å; R188-N191 PolarHBondContact O-N 2.91Å; R188-N192 WeakPolarHBondContact O-CB 3.44Å; R188-N192 PolarHBondContact O-N 3.13Å; R188-N192 PolarHBondContact O-ND2 3.25Å |
| 189 | L | 97.6 | Very high | 97.7 | Very high | 84 Ų | 84 | 101.5 Ų | 101.5 | 44% | 0.44 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 178.2 | -175 | 61.8 | 0 | 0 | 0 | 111.4 | E185 L186 E187 N191 N192 Y193 | E185-L189 VanDerWaalsContact O-CB 3.28Å; E185-L189 WeakPolarHBondContact O-CB 3.21Å; E185-L189 PolarHBondContact O-N 3.47Å; L186-L189 PolarHBondContact O-N 2.97Å; E187-L189 PolarHBondContact O-N 3.35Å; L189-N191 VanDerWaalsContact C-N 3.35Å; L189-N191 PolarHBondContact O-N 2.86Å; L189-N192 PolarHBondContact O-N 3.4Å; L189-Y193 HydrophobicContact CD1-CD2 3.92Å; L189-Y193 HydrophobicContact CD1-CE2 3.45Å; L189-Y193 VanDerWaalsContact CD1-CE2 3.45Å; L189-Y193 HydrophobicContact CD2-CE2 4.11Å; L189-Y193 HydrophobicContact CG-CD2 3.83Å; L189-Y193 HydrophobicContact CG-CE2 3.58Å; L189-Y193 WeakPolarHBondContact O-CD2 3.4Å; L189-Y193 PolarHBondContact O-N 3.25Å |
| 190 | E | 97.8 | Very high | 97.7 | Very high | 103 Ų | 103 | 100.8 Ų | 100.8 | 48% | 0.481 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 176 | -172.1 | -175.9 | 173.4 | 0 | 0 | 111.3 | L186 E187 Y193 K194 | L186-E190 WeakPolarHBondContact O-CB 3.36Å; L186-E190 PolarHBondContact O-N 3.4Å; E187-E190 PolarHBondContact O-N 2.86Å; E190-Y193 PolarHBondContact O-N 3.43Å; E190-K194 VanDerWaalsContact CD-NZ 3.27Å; E190-K194 HydrophobicContact CG-CD 4.3Å; E190-K194 WeakPolarHBondContact O-CB 3.47Å; E190-K194 WeakPolarHBondContact O-CG 3.49Å; E190-K194 PolarHBondContact O-N 3.24Å; E190-K194 WeakPolarHBondContact OE1-CE 3.3Å; E190-K194 IonicContact OE1-NZ 2.82Å; E190-K194 PolarHBondContact OE1-NZ 2.83Å |
| 191 | N | 97.9 | Very high | 97.7 | Very high | 65 Ų | 65 | 103.7 Ų | 103.7 | 35% | 0.348 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 177 | -72 | -25.4 | 0 | 0 | 0 | 111.7 | E187 R188 L189 Y193 K194 E195 | E187-N191 WeakPolarHBondContact O-CB 3.5Å; E187-N191 VanDerWaalsContact O-CG 3.23Å; E187-N191 PolarHBondContact O-N 3.36Å; E187-N191 PolarHBondContact O-ND2 2.95Å; R188-N191 PolarHBondContact O-N 2.91Å; L189-N191 VanDerWaalsContact C-N 3.35Å; L189-N191 PolarHBondContact O-N 2.86Å; N191-Y193 VanDerWaalsContact C-N 3.35Å; N191-Y193 PolarHBondContact O-N 2.87Å; N191-K194 WeakPolarHBondContact O-CB 3.34Å; N191-K194 PolarHBondContact O-N 3.13Å; N191-E195 WeakPolarHBondContact O-CG 3.36Å; N191-E195 PolarHBondContact O-N 2.95Å |
| 192 | N | 97.8 | Very high | 97.7 | Very high | 87 Ų | 87 | 103.5 Ų | 103.5 | 47% | 0.465 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.6 | -44.1 | 175.3 | -71.6 | -16.8 | 0 | 0 | 0 | 112 | R188 L189 E195 A196 | R188-N192 WeakPolarHBondContact O-CB 3.44Å; R188-N192 PolarHBondContact O-N 3.13Å; R188-N192 PolarHBondContact O-ND2 3.25Å; L189-N192 PolarHBondContact O-N 3.4Å; N192-E195 PolarHBondContact O-N 3.46Å; N192-A196 WeakPolarHBondContact O-CB 3.25Å; N192-A196 PolarHBondContact O-N 3.02Å |
| 193 | Y | 97.7 | Very high | 97.8 | Very high | 161 Ų | 161 | 103.3 Ų | 103.3 | 63% | 0.631 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.1 | -39.4 | 176.1 | -82 | -62.4 | 0 | 0 | 0 | 112.5 | L189 E190 N191 E195 L197 | L189-Y193 HydrophobicContact CD1-CD2 3.92Å; L189-Y193 HydrophobicContact CD1-CE2 3.45Å; L189-Y193 VanDerWaalsContact CD1-CE2 3.45Å; L189-Y193 HydrophobicContact CD2-CE2 4.11Å; L189-Y193 HydrophobicContact CG-CD2 3.83Å; L189-Y193 HydrophobicContact CG-CE2 3.58Å; L189-Y193 WeakPolarHBondContact O-CD2 3.4Å; L189-Y193 PolarHBondContact O-N 3.25Å; E190-Y193 PolarHBondContact O-N 3.43Å; N191-Y193 VanDerWaalsContact C-N 3.35Å; N191-Y193 PolarHBondContact O-N 2.87Å; Y193-E195 VanDerWaalsContact C-N 3.34Å; Y193-L197 VanDerWaalsContact O-CB 3.24Å; Y193-L197 WeakPolarHBondContact O-CB 3.36Å; Y193-L197 PolarHBondContact O-N 3Å |
| 194 | K | 98.3 | Very high | 97.8 | Very high | 96 Ų | 96 | 99.5 Ų | 99.5 | 42% | 0.417 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 175.1 | -76.8 | 171.7 | -177.6 | 163.9 | 0 | 111.5 | E190 N191 K198 | E190-K194 VanDerWaalsContact CD-NZ 3.27Å; E190-K194 HydrophobicContact CG-CD 4.3Å; E190-K194 WeakPolarHBondContact O-CB 3.47Å; E190-K194 WeakPolarHBondContact O-CG 3.49Å; E190-K194 PolarHBondContact O-N 3.24Å; E190-K194 WeakPolarHBondContact OE1-CE 3.3Å; E190-K194 IonicContact OE1-NZ 2.82Å; E190-K194 PolarHBondContact OE1-NZ 2.83Å; N191-K194 WeakPolarHBondContact O-CB 3.34Å; N191-K194 PolarHBondContact O-N 3.13Å; K194-K198 VanDerWaalsContact O-CG 3.32Å; K194-K198 WeakPolarHBondContact O-CG 3.38Å; K194-K198 PolarHBondContact O-N 2.85Å |
| 195 | E | 98.1 | Very high | 97.8 | Very high | 128 Ų | 128 | 101.8 Ų | 101.8 | 60% | 0.598 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.7 | -48 | 177.1 | -73.4 | 179 | -175.6 | 0 | 0 | 111.8 | N191 N192 Y193 L197 K198 A199 | N191-E195 WeakPolarHBondContact O-CG 3.36Å; N191-E195 PolarHBondContact O-N 2.95Å; N192-E195 PolarHBondContact O-N 3.46Å; Y193-E195 VanDerWaalsContact C-N 3.34Å; E195-L197 VanDerWaalsContact C-N 3.31Å; E195-L197 PolarHBondContact O-N 3.38Å; E195-K198 PolarHBondContact O-N 3.33Å; E195-K198 VanDerWaalsContact O-N 3.13Å; E195-A199 PolarHBondContact O-N 3.47Å |
| 196 | A | 98 | Very high | 97.8 | Very high | 59 Ų | 59 | 103.7 Ų | 103.7 | 49% | 0.488 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.6 | -42.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N192 K198 A199 E200 | N192-A196 WeakPolarHBondContact O-CB 3.25Å; N192-A196 PolarHBondContact O-N 3.02Å; A196-K198 PolarHBondContact O-N 3.41Å; A196-A199 PolarHBondContact O-N 2.97Å; A196-E200 WeakPolarHBondContact O-CB 3.46Å; A196-E200 PolarHBondContact O-N 3.41Å |
| 197 | L | 97.4 | Very high | 97.9 | Very high | 97 Ų | 97 | 106.2 Ų | 106.2 | 51% | 0.508 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.7 | -38.2 | 176.6 | -177.8 | 64.4 | 0 | 0 | 0 | 112.3 | Y193 E195 K201 | Y193-L197 VanDerWaalsContact O-CB 3.24Å; Y193-L197 WeakPolarHBondContact O-CB 3.36Å; Y193-L197 PolarHBondContact O-N 3Å; E195-L197 VanDerWaalsContact C-N 3.31Å; E195-L197 PolarHBondContact O-N 3.38Å; L197-K201 HydrophobicContact CG-CD 4.34Å; L197-K201 WeakPolarHBondContact O-CB 3.48Å; L197-K201 VanDerWaalsContact O-CG 3.24Å; L197-K201 WeakPolarHBondContact O-CG 3.37Å; L197-K201 PolarHBondContact O-N 3.01Å |
| 198 | K | 98.1 | Very high | 97.9 | Very high | 153 Ų | 153 | 106.9 Ų | 106.9 | 67% | 0.665 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.3 | -43.5 | 175.3 | -76.7 | 174.4 | -178.4 | 177.9 | 0 | 111.3 | K194 E195 A196 K201 A202 | K194-K198 VanDerWaalsContact O-CG 3.32Å; K194-K198 WeakPolarHBondContact O-CG 3.38Å; K194-K198 PolarHBondContact O-N 2.85Å; E195-K198 PolarHBondContact O-N 3.33Å; E195-K198 VanDerWaalsContact O-N 3.13Å; A196-K198 PolarHBondContact O-N 3.41Å; K198-K201 PolarHBondContact O-N 2.9Å; K198-A202 WeakPolarHBondContact O-CB 3.47Å; K198-A202 PolarHBondContact O-N 3.25Å |
| 199 | A | 98 | Very high | 97.9 | Very high | 62 Ų | 62 | 104 Ų | 104 | 51% | 0.512 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62 | -46.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E195 A196 K201 A202 L203 | E195-A199 PolarHBondContact O-N 3.47Å; A196-A199 PolarHBondContact O-N 2.97Å; A199-K201 PolarHBondContact O-N 2.88Å; A199-A202 PolarHBondContact O-N 3.46Å; A199-L203 WeakPolarHBondContact O-CB 3.44Å; A199-L203 PolarHBondContact O-N 2.89Å |
| 200 | E | 97 | Very high | 97.9 | Very high | 121 Ų | 121 | 106.2 Ų | 106.2 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65 | -39.2 | 178.9 | -169.3 | 64.1 | -168.6 | 0 | 0 | 112 | A196 L203 A204 | A196-E200 WeakPolarHBondContact O-CB 3.46Å; A196-E200 PolarHBondContact O-N 3.41Å; E200-L203 PolarHBondContact O-N 2.65Å; E200-A204 WeakPolarHBondContact O-CB 3.36Å; E200-A204 PolarHBondContact O-N 3.38Å |
| 201 | K | 98 | Very high | 97.9 | Very high | 130 Ų | 130 | 106.5 Ų | 106.5 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.3 | -44.7 | 173.2 | -78.4 | 176.1 | 178.7 | -178.6 | 0 | 112 | L197 K198 A199 A204 E205 | L197-K201 HydrophobicContact CG-CD 4.34Å; L197-K201 WeakPolarHBondContact O-CB 3.48Å; L197-K201 VanDerWaalsContact O-CG 3.24Å; L197-K201 WeakPolarHBondContact O-CG 3.37Å; L197-K201 PolarHBondContact O-N 3.01Å; K198-K201 PolarHBondContact O-N 2.9Å; A199-K201 PolarHBondContact O-N 2.88Å; K201-A204 PolarHBondContact O-N 2.93Å; K201-E205 WeakPolarHBondContact O-CB 3.44Å; K201-E205 PolarHBondContact O-N 3.01Å |
| 202 | A | 97.9 | Very high | 98 | Very high | 58 Ų | 58 | 105.4 Ų | 105.4 | 48% | 0.479 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | K198 A199 E205 E206 | K198-A202 WeakPolarHBondContact O-CB 3.47Å; K198-A202 PolarHBondContact O-N 3.25Å; A199-A202 PolarHBondContact O-N 3.46Å; A202-E205 PolarHBondContact O-N 2.96Å; A202-E206 WeakPolarHBondContact O-CB 3.35Å; A202-E206 PolarHBondContact O-N 3.4Å |
| 203 | L | 98.2 | Very high | 98 | Very high | 100 Ų | 100 | 107.2 Ų | 107.2 | 52% | 0.524 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.9 | -40.5 | 177 | -175.8 | 135.5 | 0 | 0 | 0 | 112.2 | A199 E200 K207 | A199-L203 WeakPolarHBondContact O-CB 3.44Å; A199-L203 PolarHBondContact O-N 2.89Å; E200-L203 PolarHBondContact O-N 2.65Å; L203-K207 WeakPolarHBondContact O-CB 3.37Å; L203-K207 PolarHBondContact O-N 2.86Å |
| 204 | A | 97.6 | Very high | 98 | Very high | 54 Ų | 54 | 103.9 Ų | 103.9 | 45% | 0.446 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E200 K201 K207 L208 | E200-A204 WeakPolarHBondContact O-CB 3.36Å; E200-A204 PolarHBondContact O-N 3.38Å; K201-A204 PolarHBondContact O-N 2.93Å; A204-K207 PolarHBondContact O-N 3.31Å; A204-L208 WeakPolarHBondContact O-CB 2.85Å; A204-L208 PolarHBondContact O-N 3.28Å |
| 205 | E | 98.1 | Very high | 98 | Very high | 145 Ų | 145 | 106.6 Ų | 106.6 | 68% | 0.678 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.6 | -41.8 | 177.6 | -171.8 | 160.5 | -153.8 | 0 | 0 | 111.9 | K201 A202 K207 L208 D209 | K201-E205 WeakPolarHBondContact O-CB 3.44Å; K201-E205 PolarHBondContact O-N 3.01Å; A202-E205 PolarHBondContact O-N 2.96Å; E205-K207 PolarHBondContact O-N 3.45Å; E205-L208 PolarHBondContact O-N 3.48Å; E205-D209 PolarHBondContact O-N 2.99Å |
| 206 | E | 98.1 | Very high | 98 | Very high | 142 Ų | 142 | 106.6 Ų | 106.6 | 66% | 0.664 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.4 | -45.5 | 172.6 | -174.8 | -173.6 | 171.3 | 0 | 0 | 111.5 | A202 L208 D209 K210 | A202-E206 WeakPolarHBondContact O-CB 3.35Å; A202-E206 PolarHBondContact O-N 3.4Å; E206-L208 VanDerWaalsContact C-N 3.31Å; E206-L208 PolarHBondContact O-N 2.92Å; E206-D209 PolarHBondContact O-N 2.97Å; E206-K210 PolarHBondContact O-N 3.47Å |
| 207 | K | 98.1 | Very high | 98 | Very high | 143 Ų | 143 | 111.2 Ų | 111.2 | 62% | 0.622 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61 | -41.2 | 176.4 | -174.2 | 176.2 | -179 | 178.3 | 0 | 111.5 | L203 A204 E205 K210 M211 | L203-K207 WeakPolarHBondContact O-CB 3.37Å; L203-K207 PolarHBondContact O-N 2.86Å; A204-K207 PolarHBondContact O-N 3.31Å; E205-K207 PolarHBondContact O-N 3.45Å; K207-K210 PolarHBondContact O-N 3.27Å; K207-M211 VanDerWaalsContact O-CG 3.3Å; K207-M211 WeakPolarHBondContact O-CG 3.32Å; K207-M211 PolarHBondContact O-N 2.91Å |
| 208 | L | 98 | Very high | 98.1 | Very high | 125 Ų | 125 | 112.2 Ų | 112.2 | 65% | 0.654 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.4 | -41.8 | 177.2 | -175.7 | 142.1 | 0 | 0 | 0 | 111.8 | A204 E205 E206 M211 S212 | A204-L208 WeakPolarHBondContact O-CB 2.85Å; A204-L208 PolarHBondContact O-N 3.28Å; E205-L208 PolarHBondContact O-N 3.48Å; E206-L208 VanDerWaalsContact C-N 3.31Å; E206-L208 PolarHBondContact O-N 2.92Å; L208-M211 PolarHBondContact O-N 2.68Å; L208-S212 VanDerWaalsContact O-CB 3.28Å; L208-S212 WeakPolarHBondContact O-CB 3.5Å; L208-S212 PolarHBondContact O-N 3.49Å |
| 209 | D | 98.3 | Very high | 98.1 | Very high | 71 Ų | 71 | 110 Ų | 110 | 38% | 0.38 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 175.3 | 180 | 57.5 | 0 | 0 | 0 | 111.7 | E205 E206 S212 K213 | E205-D209 PolarHBondContact O-N 2.99Å; E206-D209 PolarHBondContact O-N 2.97Å; D209-S212 WeakPolarHBondContact O-CB 3.4Å; D209-S212 PolarHBondContact O-N 3.37Å; D209-K213 WeakPolarHBondContact O-CG 3.35Å; D209-K213 PolarHBondContact O-N 3.46Å; D209-K213 IonicContact OD1-NZ 3.17Å; D209-K213 WeakPolarHBondContact OD2-CE 3.32Å; D209-K213 IonicContact OD2-NZ 2.83Å; D209-K213 PolarHBondContact OD2-NZ 3.5Å |
| 210 | K | 98.3 | Very high | 98.1 | Very high | 130 Ų | 130 | 110.6 Ų | 110.6 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.2 | -50.6 | 174.4 | -174.2 | 179 | 177 | -178 | 0 | 111.9 | E206 K207 S212 K213 E214 | E206-K210 PolarHBondContact O-N 3.47Å; K207-K210 PolarHBondContact O-N 3.27Å; K210-S212 VanDerWaalsContact C-N 3.28Å; K210-S212 PolarHBondContact O-N 2.95Å; K210-K213 WeakPolarHBondContact O-CB 3.27Å; K210-K213 PolarHBondContact O-N 2.91Å; K210-E214 VanDerWaalsContact CE-OE1 3.24Å; K210-E214 WeakPolarHBondContact CE-OE1 3.38Å; K210-E214 PolarHBondContact O-N 3.23Å |
| 211 | M | 98 | Very high | 98.2 | Very high | 110 Ų | 110 | 107.6 Ų | 107.6 | 54% | 0.542 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62 | -36.8 | 177.6 | -66.6 | -61.7 | -66.9 | 0 | 0 | 111.9 | K207 L208 E214 Y215 | K207-M211 VanDerWaalsContact O-CG 3.3Å; K207-M211 WeakPolarHBondContact O-CG 3.32Å; K207-M211 PolarHBondContact O-N 2.91Å; L208-M211 PolarHBondContact O-N 2.68Å; M211-E214 PolarHBondContact O-N 3.38Å; M211-Y215 WeakPolarHBondContact O-CB 3.25Å; M211-Y215 PolarHBondContact O-N 3.36Å |
| 212 | S | 98.3 | Very high | 98.2 | Very high | 42 Ų | 42 | 107.8 Ų | 107.8 | 29% | 0.294 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 175.6 | -176.7 | 0 | 0 | 0 | 0 | 112 | L208 D209 K210 K216 | L208-S212 VanDerWaalsContact O-CB 3.28Å; L208-S212 WeakPolarHBondContact O-CB 3.5Å; L208-S212 PolarHBondContact O-N 3.49Å; D209-S212 WeakPolarHBondContact O-CB 3.4Å; D209-S212 PolarHBondContact O-N 3.37Å; K210-S212 VanDerWaalsContact C-N 3.28Å; K210-S212 PolarHBondContact O-N 2.95Å; S212-K216 VanDerWaalsContact O-CG 3.31Å; S212-K216 WeakPolarHBondContact O-CG 3.38Å; S212-K216 PolarHBondContact O-N 3.46Å |
| 213 | K | 98.3 | Very high | 98.2 | Very high | 124 Ų | 124 | 109.1 Ų | 109.1 | 54% | 0.539 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.3 | -45.4 | 174.4 | -72.5 | 166.2 | 176.1 | 165.5 | 0 | 111.9 | D209 K210 Y215 K216 Y217 | D209-K213 WeakPolarHBondContact O-CG 3.35Å; D209-K213 PolarHBondContact O-N 3.46Å; D209-K213 IonicContact OD1-NZ 3.17Å; D209-K213 WeakPolarHBondContact OD2-CE 3.32Å; D209-K213 IonicContact OD2-NZ 2.83Å; D209-K213 PolarHBondContact OD2-NZ 3.5Å; K210-K213 WeakPolarHBondContact O-CB 3.27Å; K210-K213 PolarHBondContact O-N 2.91Å; K213-Y215 PolarHBondContact O-N 3.19Å; K213-K216 PolarHBondContact O-N 2.89Å; K213-Y217 WeakPolarHBondContact O-CB 3.47Å; K213-Y217 PolarHBondContact O-N 2.92Å |
| 214 | E | 98.1 | Very high | 98.2 | Very high | 92 Ų | 92 | 108.5 Ų | 108.5 | 43% | 0.43 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 176.2 | -72 | 175.8 | -169.6 | 0 | 0 | 111.8 | K210 M211 Y217 L218 | K210-E214 VanDerWaalsContact CE-OE1 3.24Å; K210-E214 WeakPolarHBondContact CE-OE1 3.38Å; K210-E214 PolarHBondContact O-N 3.23Å; M211-E214 PolarHBondContact O-N 3.38Å; E214-Y217 PolarHBondContact O-N 2.83Å; E214-L218 WeakPolarHBondContact O-CB 3.32Å; E214-L218 PolarHBondContact O-N 2.87Å |
| 215 | Y | 98.4 | Very high | 98.3 | Very high | 153 Ų | 153 | 111.9 Ų | 111.9 | 60% | 0.6 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.1 | -45 | 174.5 | 173.2 | -102.3 | 0 | 0 | 0 | 112.1 | M211 K213 L218 K219 | M211-Y215 WeakPolarHBondContact O-CB 3.25Å; M211-Y215 PolarHBondContact O-N 3.36Å; K213-Y215 PolarHBondContact O-N 3.19Å; Y215-L218 PolarHBondContact O-N 3.39Å; Y215-K219 HydrophobicContact CE1-CD 4.37Å; Y215-K219 VanDerWaalsContact O-CB 3.23Å; Y215-K219 WeakPolarHBondContact O-CB 3.36Å; Y215-K219 PolarHBondContact O-N 3.48Å |
| 216 | K | 98.4 | Very high | 98.3 | Very high | 128 Ų | 128 | 108.4 Ų | 108.4 | 56% | 0.557 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.2 | -44.1 | 175.8 | -75.5 | 172.6 | -175 | 173.9 | 0 | 111.5 | S212 K213 K219 S220 | S212-K216 VanDerWaalsContact O-CG 3.31Å; S212-K216 WeakPolarHBondContact O-CG 3.38Å; S212-K216 PolarHBondContact O-N 3.46Å; K213-K216 PolarHBondContact O-N 2.89Å; K216-K219 PolarHBondContact O-N 3.15Å; K216-S220 PolarHBondContact O-N 3.39Å; K216-S220 PolarHBondContact O-OG 2.88Å |
| 217 | Y | 98.5 | Very high | 98.3 | Very high | 155 Ų | 155 | 105.6 Ų | 105.6 | 61% | 0.608 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.8 | -50.6 | 176.5 | 172.6 | -99 | 0 | 0 | 0 | 111.5 | K213 E214 K219 S220 M221 | K213-Y217 WeakPolarHBondContact O-CB 3.47Å; K213-Y217 PolarHBondContact O-N 2.92Å; E214-Y217 PolarHBondContact O-N 2.83Å; Y217-K219 VanDerWaalsContact C-N 3.31Å; Y217-K219 PolarHBondContact O-N 3.4Å; Y217-S220 WeakPolarHBondContact O-CB 3.33Å; Y217-S220 PolarHBondContact O-N 3.28Å; Y217-S220 VanDerWaalsContact O-N 3.14Å; Y217-M221 HydrophobicContact CD1-CG 4.28Å; Y217-M221 HydrophobicContact CD2-CG 4.42Å; Y217-M221 HydrophobicContact CE1-CG 3.77Å; Y217-M221 HydrophobicContact CE2-CG 3.93Å; Y217-M221 HydrophobicContact CE2-SD 4.19Å; Y217-M221 WeakPolarHBondContact O-CG 3.38Å; Y217-M221 PolarHBondContact O-N 2.88Å |
| 218 | L | 98.4 | Very high | 98.3 | Very high | 118 Ų | 118 | 101.8 Ų | 101.8 | 62% | 0.618 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.2 | -41 | 179 | -176.2 | 61.5 | 0 | 0 | 0 | 111.5 | E214 Y215 M221 F222 | E214-L218 WeakPolarHBondContact O-CB 3.32Å; E214-L218 PolarHBondContact O-N 2.87Å; Y215-L218 PolarHBondContact O-N 3.39Å; L218-M221 PolarHBondContact O-N 2.89Å; L218-F222 WeakPolarHBondContact O-CB 3.3Å; L218-F222 PolarHBondContact O-N 3.42Å |
| 219 | K | 98.5 | Very high | 98.3 | Very high | 107 Ų | 107 | 100.7 Ų | 100.7 | 47% | 0.465 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.5 | -48.1 | 173.5 | -175.5 | 177.8 | -180 | -177.6 | 0 | 110.7 | Y215 K216 Y217 F222 H223 | Y215-K219 HydrophobicContact CE1-CD 4.37Å; Y215-K219 VanDerWaalsContact O-CB 3.23Å; Y215-K219 WeakPolarHBondContact O-CB 3.36Å; Y215-K219 PolarHBondContact O-N 3.48Å; K216-K219 PolarHBondContact O-N 3.15Å; Y217-K219 VanDerWaalsContact C-N 3.31Å; Y217-K219 PolarHBondContact O-N 3.4Å; K219-F222 PolarHBondContact O-N 2.85Å; K219-H223 PolarHBondContact O-N 2.93Å; K219-H223 VanDerWaalsContact O-N 3.12Å; K219-H223 PolarHBondContact O-ND1 3.37Å |
| 220 | S | 98.4 | Very high | 98.3 | Very high | 74 Ų | 74 | 104.6 Ų | 104.6 | 52% | 0.517 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 176.9 | -70.2 | 0 | 0 | 0 | 0 | 112.2 | K216 Y217 F222 H223 V224 | K216-S220 PolarHBondContact O-N 3.39Å; K216-S220 PolarHBondContact O-OG 2.88Å; Y217-S220 WeakPolarHBondContact O-CB 3.33Å; Y217-S220 PolarHBondContact O-N 3.28Å; Y217-S220 VanDerWaalsContact O-N 3.14Å; S220-F222 VanDerWaalsContact C-N 3.3Å; S220-F222 PolarHBondContact O-N 3.25Å; S220-H223 PolarHBondContact O-N 3.48Å; S220-H223 VanDerWaalsContact O-N 3.17Å; S220-V224 WeakPolarHBondContact O-CG2 3.45Å; S220-V224 PolarHBondContact O-N 2.85Å |
| 221 | M | 98.1 | Very high | 98.3 | Very high | 58 Ų | 58 | 104.9 Ų | 104.9 | 29% | 0.286 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.2 | -40.6 | 175.8 | -73.4 | -58.9 | -58.3 | 0 | 0 | 112.1 | Y217 L218 H223 V224 F225 | Y217-M221 HydrophobicContact CD1-CG 4.28Å; Y217-M221 HydrophobicContact CD2-CG 4.42Å; Y217-M221 HydrophobicContact CE1-CG 3.77Å; Y217-M221 HydrophobicContact CE2-CG 3.93Å; Y217-M221 HydrophobicContact CE2-SD 4.19Å; Y217-M221 WeakPolarHBondContact O-CG 3.38Å; Y217-M221 PolarHBondContact O-N 2.88Å; L218-M221 PolarHBondContact O-N 2.89Å; M221-H223 PolarHBondContact O-N 2.94Å; M221-V224 PolarHBondContact O-N 3.34Å; M221-F225 HydrophobicContact CB-CE2 4.45Å; M221-F225 HydrophobicContact CE-CE2 3.83Å; M221-F225 HydrophobicContact CE-CZ 4.07Å; M221-F225 WeakPolarHBondContact O-CD2 3.5Å; M221-F225 PolarHBondContact O-N 3.4Å |
| 222 | F | 98.3 | Very high | 98.3 | Very high | 135 Ų | 135 | 104.2 Ų | 104.2 | 59% | 0.592 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.3 | -41.1 | 176.3 | -171.4 | -91.4 | 0 | 0 | 0 | 112.3 | L218 K219 S220 F225 Q226 | L218-F222 WeakPolarHBondContact O-CB 3.3Å; L218-F222 PolarHBondContact O-N 3.42Å; K219-F222 PolarHBondContact O-N 2.85Å; S220-F222 VanDerWaalsContact C-N 3.3Å; S220-F222 PolarHBondContact O-N 3.25Å; F222-F225 PolarHBondContact O-N 3.04Å; F222-Q226 VanDerWaalsContact O-CB 3.26Å; F222-Q226 WeakPolarHBondContact O-CB 3.38Å; F222-Q226 PolarHBondContact O-N 3.17Å |
| 223 | H | 98.3 | Very high | 98.3 | Very high | 85 Ų | 85 | 107.7 Ų | 107.7 | 39% | 0.394 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 175.5 | -69.9 | 72.7 | 0 | 0 | 0 | 111 | K219 S220 M221 F225 Q226 D227 | K219-H223 PolarHBondContact O-N 2.93Å; K219-H223 VanDerWaalsContact O-N 3.12Å; K219-H223 PolarHBondContact O-ND1 3.37Å; S220-H223 PolarHBondContact O-N 3.48Å; S220-H223 VanDerWaalsContact O-N 3.17Å; M221-H223 PolarHBondContact O-N 2.94Å; H223-F225 PolarHBondContact O-N 2.82Å; H223-Q226 WeakPolarHBondContact O-CB 3.32Å; H223-Q226 PolarHBondContact O-N 2.89Å; H223-D227 WeakPolarHBondContact O-CB 3.36Å; H223-D227 PolarHBondContact O-N 2.85Å |
| 224 | V | 98.1 | Very high | 98.2 | Very high | 88 Ų | 88 | 106.8 Ų | 106.8 | 53% | 0.533 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 175.6 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | S220 M221 S228 | S220-V224 WeakPolarHBondContact O-CG2 3.45Å; S220-V224 PolarHBondContact O-N 2.85Å; M221-V224 PolarHBondContact O-N 3.34Å; V224-S228 VanDerWaalsContact O-CB 3.24Å; V224-S228 WeakPolarHBondContact O-CB 3.5Å; V224-S228 PolarHBondContact O-N 2.9Å |
| 225 | F | 98.4 | Very high | 98.3 | Very high | 125 Ų | 125 | 106.7 Ų | 106.7 | 55% | 0.548 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 174.8 | -75.9 | -59.6 | 0 | 0 | 0 | 112.1 | M221 F222 H223 S228 I229 | M221-F225 HydrophobicContact CB-CE2 4.45Å; M221-F225 HydrophobicContact CE-CE2 3.83Å; M221-F225 HydrophobicContact CE-CZ 4.07Å; M221-F225 WeakPolarHBondContact O-CD2 3.5Å; M221-F225 PolarHBondContact O-N 3.4Å; F222-F225 PolarHBondContact O-N 3.04Å; H223-F225 PolarHBondContact O-N 2.82Å; F225-S228 PolarHBondContact O-N 3.35Å; F225-I229 VanDerWaalsContact O-CG1 3.29Å; F225-I229 WeakPolarHBondContact O-CG1 3.49Å; F225-I229 PolarHBondContact O-N 2.72Å |
| 226 | Q | 98.5 | Very high | 98.2 | Very high | 71 Ų | 71 | 104.1 Ų | 104.1 | 33% | 0.332 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.4 | -51.1 | 176.9 | 178 | 177.6 | -20.1 | 0 | 0 | 110.7 | F222 H223 S228 I229 Y230 | F222-Q226 VanDerWaalsContact O-CB 3.26Å; F222-Q226 WeakPolarHBondContact O-CB 3.38Å; F222-Q226 PolarHBondContact O-N 3.17Å; H223-Q226 WeakPolarHBondContact O-CB 3.32Å; H223-Q226 PolarHBondContact O-N 2.89Å; Q226-S228 PolarHBondContact O-N 3.4Å; Q226-I229 PolarHBondContact O-N 3.02Å; Q226-Y230 HydrophobicContact CG-CD2 3.72Å; Q226-Y230 HydrophobicContact CG-CE2 3.42Å; Q226-Y230 VanDerWaalsContact CG-CE2 3.42Å; Q226-Y230 WeakPolarHBondContact O-CD2 3.29Å; Q226-Y230 PolarHBondContact O-N 3.46Å |
| 227 | D | 98.1 | Very high | 98.2 | Very high | 84 Ų | 84 | 105.2 Ų | 105.2 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 178.9 | -66.1 | -18.2 | 0 | 0 | 0 | 111 | H223 I229 Y230 E231 | H223-D227 WeakPolarHBondContact O-CB 3.36Å; H223-D227 PolarHBondContact O-N 2.85Å; D227-I229 VanDerWaalsContact C-N 3.32Å; D227-I229 PolarHBondContact O-N 3.32Å; D227-Y230 PolarHBondContact O-N 2.96Å; D227-Y230 VanDerWaalsContact O-N 3.13Å; D227-E231 WeakPolarHBondContact O-CG 3.34Å; D227-E231 PolarHBondContact O-N 3.48Å |
| 228 | S | 98.4 | Very high | 98.2 | Very high | 63 Ų | 63 | 102 Ų | 102 | 44% | 0.441 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59 | -40.5 | 175.5 | 176.4 | 0 | 0 | 0 | 0 | 112.7 | V224 F225 Q226 E232 | V224-S228 VanDerWaalsContact O-CB 3.24Å; V224-S228 WeakPolarHBondContact O-CB 3.5Å; V224-S228 PolarHBondContact O-N 2.9Å; F225-S228 PolarHBondContact O-N 3.35Å; Q226-S228 PolarHBondContact O-N 3.4Å; S228-E232 WeakPolarHBondContact O-CB 3.49Å; S228-E232 PolarHBondContact O-N 3.06Å |
| 229 | I | 98.1 | Very high | 98.2 | Very high | 102 Ų | 102 | 102.9 Ų | 102.9 | 52% | 0.523 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.5 | -42.6 | 175.8 | -70 | 167 | 0 | 0 | 0 | 110.4 | F225 Q226 D227 E232 M233 | F225-I229 VanDerWaalsContact O-CG1 3.29Å; F225-I229 WeakPolarHBondContact O-CG1 3.49Å; F225-I229 PolarHBondContact O-N 2.72Å; Q226-I229 PolarHBondContact O-N 3.02Å; D227-I229 VanDerWaalsContact C-N 3.32Å; D227-I229 PolarHBondContact O-N 3.32Å; I229-E232 PolarHBondContact O-N 3.46Å; I229-M233 HydrophobicContact CG2-CG 4.36Å; I229-M233 WeakPolarHBondContact O-CB 3.47Å; I229-M233 VanDerWaalsContact O-CG 3.22Å; I229-M233 WeakPolarHBondContact O-CG 3.32Å; I229-M233 PolarHBondContact O-N 2.86Å |
| 230 | Y | 97.9 | Very high | 98.2 | Very high | 153 Ų | 153 | 103.5 Ų | 103.5 | 60% | 0.6 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.8 | -47.1 | 177.5 | -81.7 | -66.2 | 0 | 0 | 0 | 111.9 | Q226 D227 M233 E234 | Q226-Y230 HydrophobicContact CG-CD2 3.72Å; Q226-Y230 HydrophobicContact CG-CE2 3.42Å; Q226-Y230 VanDerWaalsContact CG-CE2 3.42Å; Q226-Y230 WeakPolarHBondContact O-CD2 3.29Å; Q226-Y230 PolarHBondContact O-N 3.46Å; D227-Y230 PolarHBondContact O-N 2.96Å; D227-Y230 VanDerWaalsContact O-N 3.13Å; Y230-M233 PolarHBondContact O-N 3.22Å; Y230-E234 WeakPolarHBondContact O-CB 3.42Å; Y230-E234 PolarHBondContact O-N 3.2Å |
| 231 | E | 98 | Very high | 98.2 | Very high | 136 Ų | 136 | 105.8 Ų | 105.8 | 64% | 0.636 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.4 | -45.5 | 176.4 | -71.9 | -179.9 | 177.4 | 0 | 0 | 111.6 | D227 M233 E234 D235 | D227-E231 WeakPolarHBondContact O-CG 3.34Å; D227-E231 PolarHBondContact O-N 3.48Å; E231-M233 VanDerWaalsContact C-N 3.33Å; E231-M233 PolarHBondContact O-N 2.85Å; E231-E234 PolarHBondContact O-N 3.33Å; E231-D235 WeakPolarHBondContact O-CB 3.34Å; E231-D235 PolarHBondContact O-N 3.5Å |
| 232 | E | 98.3 | Very high | 98.2 | Very high | 95 Ų | 95 | 105.7 Ų | 105.7 | 44% | 0.444 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 178.4 | -171.8 | -174.1 | 175.1 | 0 | 0 | 112.1 | S228 I229 K236 | S228-E232 WeakPolarHBondContact O-CB 3.49Å; S228-E232 PolarHBondContact O-N 3.06Å; I229-E232 PolarHBondContact O-N 3.46Å; E232-K236 HydrophobicContact CG-CD 4.36Å; E232-K236 WeakPolarHBondContact O-CB 3.3Å; E232-K236 VanDerWaalsContact O-CG 3.27Å; E232-K236 WeakPolarHBondContact O-CG 3.38Å; E232-K236 PolarHBondContact O-N 3.21Å; E232-K236 WeakPolarHBondContact OE1-CE 3.35Å; E232-K236 IonicContact OE1-NZ 3.37Å; E232-K236 PolarHBondContact OE1-NZ 3.32Å |
| 233 | M | 97.6 | Very high | 98.2 | Very high | 116 Ų | 116 | 103.7 Ų | 103.7 | 57% | 0.571 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.7 | -42.9 | 177.4 | -72.6 | -62.7 | -65.1 | 0 | 0 | 111.9 | I229 Y230 E231 K236 W237 | I229-M233 HydrophobicContact CG2-CG 4.36Å; I229-M233 WeakPolarHBondContact O-CB 3.47Å; I229-M233 VanDerWaalsContact O-CG 3.22Å; I229-M233 WeakPolarHBondContact O-CG 3.32Å; I229-M233 PolarHBondContact O-N 2.86Å; Y230-M233 PolarHBondContact O-N 3.22Å; E231-M233 VanDerWaalsContact C-N 3.33Å; E231-M233 PolarHBondContact O-N 2.85Å; M233-K236 PolarHBondContact O-N 3.1Å; M233-W237 WeakPolarHBondContact O-CB 3.37Å; M233-W237 PolarHBondContact O-N 3.32Å |
| 234 | E | 98.1 | Very high | 98.2 | Very high | 105 Ų | 105 | 106.1 Ų | 106.1 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 176 | -169 | 63.1 | -145.7 | 0 | 0 | 110.9 | Y230 E231 K236 W237 L238 | Y230-E234 WeakPolarHBondContact O-CB 3.42Å; Y230-E234 PolarHBondContact O-N 3.2Å; E231-E234 PolarHBondContact O-N 3.33Å; E234-K236 PolarHBondContact O-N 3.41Å; E234-W237 WeakPolarHBondContact O-CB 3.29Å; E234-W237 PolarHBondContact O-N 2.97Å; E234-W237 VanDerWaalsContact O-N 3.15Å; E234-L238 HydrophobicContact CG-CD1 4.19Å; E234-L238 HydrophobicContact CG-CG 4.5Å; E234-L238 WeakPolarHBondContact O-CB 3.3Å; E234-L238 WeakPolarHBondContact O-CG 3.36Å; E234-L238 PolarHBondContact O-N 2.84Å |
| 235 | D | 98.3 | Very high | 98.2 | Very high | 90 Ų | 90 | 108.2 Ų | 108.2 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 176.3 | -87.4 | -2.3 | 0 | 0 | 0 | 112.5 | E231 W237 R239 | E231-D235 WeakPolarHBondContact O-CB 3.34Å; E231-D235 PolarHBondContact O-N 3.5Å; D235-W237 VanDerWaalsContact C-N 3.34Å; D235-R239 WeakPolarHBondContact O-CB 3.47Å; D235-R239 VanDerWaalsContact O-CG 3.32Å; D235-R239 WeakPolarHBondContact O-CG 3.24Å; D235-R239 PolarHBondContact O-N 3.1Å; D235-R239 PolarHBondContact O-NE 2.92Å |
| 236 | K | 98.3 | Very high | 98.2 | Very high | 98 Ų | 98 | 108.9 Ų | 108.9 | 43% | 0.426 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 173.8 | -77.8 | 174.3 | -175.6 | 167.9 | 0 | 110.8 | E232 M233 E234 R240 | E232-K236 HydrophobicContact CG-CD 4.36Å; E232-K236 WeakPolarHBondContact O-CB 3.3Å; E232-K236 VanDerWaalsContact O-CG 3.27Å; E232-K236 WeakPolarHBondContact O-CG 3.38Å; E232-K236 PolarHBondContact O-N 3.21Å; E232-K236 WeakPolarHBondContact OE1-CE 3.35Å; E232-K236 IonicContact OE1-NZ 3.37Å; E232-K236 PolarHBondContact OE1-NZ 3.32Å; M233-K236 PolarHBondContact O-N 3.1Å; E234-K236 PolarHBondContact O-N 3.41Å; K236-R240 WeakPolarHBondContact O-CB 3.46Å; K236-R240 PolarHBondContact O-N 3.03Å |
| 237 | W | 98.3 | Very high | 98.1 | Very high | 151 Ų | 151 | 110.2 Ų | 110.2 | 57% | 0.572 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.2 | -47.7 | 177.3 | 179.6 | -109.7 | 0 | 0 | 0 | 112.1 | M233 E234 D235 R239 R240 K241 | M233-W237 WeakPolarHBondContact O-CB 3.37Å; M233-W237 PolarHBondContact O-N 3.32Å; E234-W237 WeakPolarHBondContact O-CB 3.29Å; E234-W237 PolarHBondContact O-N 2.97Å; E234-W237 VanDerWaalsContact O-N 3.15Å; D235-W237 VanDerWaalsContact C-N 3.34Å; W237-R239 PolarHBondContact O-N 3.43Å; W237-R240 PolarHBondContact O-N 2.94Å; W237-K241 WeakPolarHBondContact O-CB 3.39Å; W237-K241 PolarHBondContact O-N 3.49Å |
| 238 | L | 98.3 | Very high | 98.1 | Very high | 87 Ų | 87 | 111 Ų | 111 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 177.6 | -72.2 | 173 | 0 | 0 | 0 | 112 | E234 K241 A242 | E234-L238 HydrophobicContact CG-CD1 4.19Å; E234-L238 HydrophobicContact CG-CG 4.5Å; E234-L238 WeakPolarHBondContact O-CB 3.3Å; E234-L238 WeakPolarHBondContact O-CG 3.36Å; E234-L238 PolarHBondContact O-N 2.84Å; L238-K241 PolarHBondContact O-N 3Å; L238-A242 WeakPolarHBondContact O-CB 3.49Å; L238-A242 PolarHBondContact O-N 3.48Å |
| 239 | R | 98.3 | Very high | 98.1 | Very high | 138 Ų | 138 | 113.9 Ų | 113.9 | 52% | 0.521 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.9 | -48.9 | 173.9 | -79.4 | -178.7 | -74.7 | -157 | -2.7 | 111.8 | D235 W237 K241 A242 E243 | D235-R239 WeakPolarHBondContact O-CB 3.47Å; D235-R239 VanDerWaalsContact O-CG 3.32Å; D235-R239 WeakPolarHBondContact O-CG 3.24Å; D235-R239 PolarHBondContact O-N 3.1Å; D235-R239 PolarHBondContact O-NE 2.92Å; W237-R239 PolarHBondContact O-N 3.43Å; R239-K241 VanDerWaalsContact C-N 3.29Å; R239-K241 PolarHBondContact O-N 2.92Å; R239-A242 PolarHBondContact O-N 2.9Å; R239-E243 WeakPolarHBondContact O-CG 3.44Å; R239-E243 PolarHBondContact O-N 2.89Å |
| 240 | R | 98.4 | Very high | 98.1 | Very high | 119 Ų | 119 | 114 Ų | 114 | 45% | 0.449 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.6 | -41.7 | 178.6 | -163.1 | 79.6 | -171.4 | 116.2 | 2.1 | 111.8 | K236 W237 E243 W244 | K236-R240 WeakPolarHBondContact O-CB 3.46Å; K236-R240 PolarHBondContact O-N 3.03Å; W237-R240 PolarHBondContact O-N 2.94Å; R240-E243 IonicContact CZ-OE2 3.66Å; R240-E243 IonicContact NH1-OE2 3.11Å; R240-E243 PolarHBondContact NH1-OE2 2.86Å; R240-E243 PolarHBondContact O-N 3.2Å; R240-W244 HydrophobicContact CG-CD2 4.41Å; R240-W244 HydrophobicContact CG-CH2 4.46Å; R240-W244 HydrophobicContact CG-CZ2 4.01Å; R240-W244 PolarHBondContact O-N 3.45Å |
| 241 | K | 98.3 | Very high | 98.1 | Very high | 122 Ų | 122 | 110.8 Ų | 110.8 | 53% | 0.53 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 177.2 | -174.5 | 179.6 | 178.6 | -176 | 0 | 111.8 | W237 L238 R239 W244 E245 | W237-K241 WeakPolarHBondContact O-CB 3.39Å; W237-K241 PolarHBondContact O-N 3.49Å; L238-K241 PolarHBondContact O-N 3Å; R239-K241 VanDerWaalsContact C-N 3.29Å; R239-K241 PolarHBondContact O-N 2.92Å; K241-W244 PolarHBondContact O-N 3.29Å; K241-E245 PolarHBondContact O-N 3.26Å |
| 242 | A | 98.3 | Very high | 98.1 | Very high | 56 Ų | 56 | 110.5 Ų | 110.5 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L238 R239 E245 K246 | L238-A242 WeakPolarHBondContact O-CB 3.49Å; L238-A242 PolarHBondContact O-N 3.48Å; R239-A242 PolarHBondContact O-N 2.9Å; A242-E245 PolarHBondContact O-N 2.89Å; A242-K246 WeakPolarHBondContact O-CB 3.38Å; A242-K246 PolarHBondContact O-N 3.46Å |
| 243 | E | 98.1 | Very high | 98.1 | Very high | 93 Ų | 93 | 110.5 Ų | 110.5 | 44% | 0.435 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.3 | -49.1 | 172.4 | -75.1 | 171.3 | -177.8 | 0 | 0 | 111.4 | R239 R240 E245 K246 D247 | R239-E243 WeakPolarHBondContact O-CG 3.44Å; R239-E243 PolarHBondContact O-N 2.89Å; R240-E243 IonicContact CZ-OE2 3.66Å; R240-E243 IonicContact NH1-OE2 3.11Å; R240-E243 PolarHBondContact NH1-OE2 2.86Å; R240-E243 PolarHBondContact O-N 3.2Å; E243-E245 PolarHBondContact O-N 3.49Å; E243-K246 PolarHBondContact O-N 2.88Å; E243-D247 WeakPolarHBondContact O-CB 3.3Å; E243-D247 PolarHBondContact O-N 3.28Å |
| 244 | W | 97.9 | Very high | 98.1 | Very high | 136 Ų | 136 | 110.8 Ų | 110.8 | 52% | 0.515 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 178 | -72.6 | -13.8 | 0 | 0 | 0 | 113.1 | R240 K241 K246 D247 E248 | R240-W244 HydrophobicContact CG-CD2 4.41Å; R240-W244 HydrophobicContact CG-CH2 4.46Å; R240-W244 HydrophobicContact CG-CZ2 4.01Å; R240-W244 PolarHBondContact O-N 3.45Å; K241-W244 PolarHBondContact O-N 3.29Å; W244-K246 VanDerWaalsContact C-N 3.34Å; W244-D247 PolarHBondContact O-N 2.93Å; W244-E248 VanDerWaalsContact O-CB 3.26Å; W244-E248 WeakPolarHBondContact O-CB 3.41Å; W244-E248 PolarHBondContact O-N 2.88Å |
| 245 | E | 98.2 | Very high | 98.1 | Very high | 132 Ų | 132 | 109.4 Ų | 109.4 | 62% | 0.617 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.9 | -41.1 | 176.7 | -174.1 | 175.4 | -176.5 | 0 | 0 | 111.6 | K241 A242 E243 K249 | K241-E245 PolarHBondContact O-N 3.26Å; A242-E245 PolarHBondContact O-N 2.89Å; E243-E245 PolarHBondContact O-N 3.49Å; E245-K249 WeakPolarHBondContact O-CB 3.17Å; E245-K249 PolarHBondContact O-N 3.37Å |
| 246 | K | 98.4 | Very high | 98.1 | Very high | 140 Ų | 140 | 110.2 Ų | 110.2 | 61% | 0.609 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.3 | -47.6 | 174.8 | -174.2 | -177.9 | 176.8 | -176.5 | 0 | 111.4 | A242 E243 W244 K249 M250 | A242-K246 WeakPolarHBondContact O-CB 3.38Å; A242-K246 PolarHBondContact O-N 3.46Å; E243-K246 PolarHBondContact O-N 2.88Å; W244-K246 VanDerWaalsContact C-N 3.34Å; K246-K249 PolarHBondContact O-N 3.5Å; K246-M250 HydrophobicContact CG-CG 4.45Å; K246-M250 WeakPolarHBondContact O-CB 3.39Å; K246-M250 VanDerWaalsContact O-CG 3.24Å; K246-M250 WeakPolarHBondContact O-CG 3.26Å; K246-M250 PolarHBondContact O-N 2.83Å |
| 247 | D | 97.5 | Very high | 98.1 | Very high | 98 Ų | 98 | 110.6 Ų | 110.6 | 52% | 0.524 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 179.9 | -73.3 | -14.2 | 0 | 0 | 0 | 111.7 | E243 W244 K249 M250 E251 | E243-D247 WeakPolarHBondContact O-CB 3.3Å; E243-D247 PolarHBondContact O-N 3.28Å; W244-D247 PolarHBondContact O-N 2.93Å; D247-K249 VanDerWaalsContact C-N 3.34Å; D247-K249 PolarHBondContact O-N 3.36Å; D247-M250 PolarHBondContact O-N 3.48Å; D247-E251 PolarHBondContact O-N 3.33Å |
| 248 | E | 97.8 | Very high | 98.1 | Very high | 101 Ų | 101 | 108.4 Ų | 108.4 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 176.1 | -163.6 | -165.4 | -163 | 0 | 0 | 111.3 | W244 R252 | W244-E248 VanDerWaalsContact O-CB 3.26Å; W244-E248 WeakPolarHBondContact O-CB 3.41Å; W244-E248 PolarHBondContact O-N 2.88Å; E248-R252 VanDerWaalsContact CG-NH1 3.28Å; E248-R252 VanDerWaalsContact O-CG 3.3Å; E248-R252 WeakPolarHBondContact O-CG 3.32Å; E248-R252 PolarHBondContact O-N 3.43Å; E248-R252 IonicContact OE1-CZ 3.61Å; E248-R252 VanDerWaalsContact OE1-CZ 3.32Å; E248-R252 IonicContact OE1-NH1 2.69Å; E248-R252 IonicContact OE1-NH2 3.03Å; E248-R252 PolarHBondContact OE1-NH2 2.88Å; E248-R252 IonicContact OE2-CZ 3.01Å; E248-R252 IonicContact OE2-NH1 3.81Å; E248-R252 PolarHBondContact OE2-NH1 2.86Å; E248-R252 IonicContact OE2-NH2 2.9Å; E248-R252 PolarHBondContact OE2-NH2 2.88Å; E248-R252 VanDerWaalsContact OE2-NH2 3.13Å |
| 249 | K | 98.3 | Very high | 98.1 | Very high | 123 Ų | 123 | 108.9 Ų | 108.9 | 54% | 0.535 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 173.8 | -174.8 | 179.7 | 178.4 | -176.1 | 0 | 111.7 | E245 K246 D247 E251 R252 E253 | E245-K249 WeakPolarHBondContact O-CB 3.17Å; E245-K249 PolarHBondContact O-N 3.37Å; K246-K249 PolarHBondContact O-N 3.5Å; D247-K249 VanDerWaalsContact C-N 3.34Å; D247-K249 PolarHBondContact O-N 3.36Å; K249-E251 PolarHBondContact O-N 3.47Å; K249-R252 PolarHBondContact O-N 3.23Å; K249-E253 WeakPolarHBondContact CE-OE1 3.36Å; K249-E253 WeakPolarHBondContact O-CG 3.33Å; K249-E253 PolarHBondContact O-N 3.28Å |
| 250 | M | 97.3 | Very high | 98.2 | Very high | 104 Ų | 104 | 108.5 Ų | 108.5 | 51% | 0.512 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 178 | -72.8 | -62.8 | -57.9 | 0 | 0 | 111.9 | K246 D247 E253 K254 | K246-M250 HydrophobicContact CG-CG 4.45Å; K246-M250 WeakPolarHBondContact O-CB 3.39Å; K246-M250 VanDerWaalsContact O-CG 3.24Å; K246-M250 WeakPolarHBondContact O-CG 3.26Å; K246-M250 PolarHBondContact O-N 2.83Å; D247-M250 PolarHBondContact O-N 3.48Å; M250-E253 PolarHBondContact O-N 3.37Å; M250-K254 VanDerWaalsContact O-CB 3.3Å; M250-K254 WeakPolarHBondContact O-CB 3.45Å; M250-K254 PolarHBondContact O-N 2.95Å |
| 251 | E | 97.9 | Very high | 98.2 | Very high | 87 Ų | 87 | 106.1 Ų | 106.1 | 41% | 0.407 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.6 | -37.8 | 178.4 | -166.3 | 60.8 | -147.6 | 0 | 0 | 111.5 | D247 K249 K254 I255 | D247-E251 PolarHBondContact O-N 3.33Å; K249-E251 PolarHBondContact O-N 3.47Å; E251-K254 VanDerWaalsContact CD-NZ 3.34Å; E251-K254 PolarHBondContact O-N 2.92Å; E251-K254 IonicContact OE1-NZ 2.65Å; E251-K254 PolarHBondContact OE1-NZ 3.33Å; E251-K254 IonicContact OE2-NZ 3.74Å; E251-K254 PolarHBondContact OE2-NZ 3.02Å; E251-I255 HydrophobicContact CG-CD1 4.23Å; E251-I255 VanDerWaalsContact O-CG1 3.29Å; E251-I255 WeakPolarHBondContact O-CG1 3.22Å; E251-I255 PolarHBondContact O-N 2.79Å |
| 252 | R | 98.1 | Very high | 98.2 | Very high | 130 Ų | 130 | 107 Ų | 107 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.7 | -48.5 | 170.7 | -75.1 | 178.2 | -176.3 | 117.4 | -3.2 | 111.7 | E248 K249 K254 I255 L256 | E248-R252 VanDerWaalsContact CG-NH1 3.28Å; E248-R252 VanDerWaalsContact O-CG 3.3Å; E248-R252 WeakPolarHBondContact O-CG 3.32Å; E248-R252 PolarHBondContact O-N 3.43Å; E248-R252 IonicContact OE1-CZ 3.61Å; E248-R252 VanDerWaalsContact OE1-CZ 3.32Å; E248-R252 IonicContact OE1-NH1 2.69Å; E248-R252 IonicContact OE1-NH2 3.03Å; E248-R252 PolarHBondContact OE1-NH2 2.88Å; E248-R252 IonicContact OE2-CZ 3.01Å; E248-R252 IonicContact OE2-NH1 3.81Å; E248-R252 PolarHBondContact OE2-NH1 2.86Å; E248-R252 IonicContact OE2-NH2 2.9Å; E248-R252 PolarHBondContact OE2-NH2 2.88Å; E248-R252 VanDerWaalsContact OE2-NH2 3.13Å; K249-R252 PolarHBondContact O-N 3.23Å; R252-K254 VanDerWaalsContact C-N 3.33Å; R252-K254 PolarHBondContact O-N 3.47Å; R252-I255 PolarHBondContact O-N 2.86Å; R252-L256 WeakPolarHBondContact O-CB 3.16Å; R252-L256 WeakPolarHBondContact O-CG 3.27Å; R252-L256 PolarHBondContact O-N 2.97Å |
| 253 | E | 98.1 | Very high | 98.2 | Very high | 94 Ų | 94 | 109.9 Ų | 109.9 | 44% | 0.439 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62 | -40.9 | 178.3 | -75.9 | 178.5 | -170.6 | 0 | 0 | 111.8 | K249 M250 L256 L257 | K249-E253 WeakPolarHBondContact CE-OE1 3.36Å; K249-E253 WeakPolarHBondContact O-CG 3.33Å; K249-E253 PolarHBondContact O-N 3.28Å; M250-E253 PolarHBondContact O-N 3.37Å; E253-L256 PolarHBondContact O-N 3.29Å; E253-L257 VanDerWaalsContact O-CB 3.3Å; E253-L257 WeakPolarHBondContact O-CB 3.37Å; E253-L257 PolarHBondContact O-N 2.63Å |
| 254 | K | 98.6 | Very high | 98.2 | Very high | 123 Ų | 123 | 109 Ų | 109 | 54% | 0.535 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 175.5 | 177.6 | 176.4 | 156.1 | -135.7 | 0 | 112.3 | M250 E251 R252 L257 Q258 | M250-K254 VanDerWaalsContact O-CB 3.3Å; M250-K254 WeakPolarHBondContact O-CB 3.45Å; M250-K254 PolarHBondContact O-N 2.95Å; E251-K254 VanDerWaalsContact CD-NZ 3.34Å; E251-K254 PolarHBondContact O-N 2.92Å; E251-K254 IonicContact OE1-NZ 2.65Å; E251-K254 PolarHBondContact OE1-NZ 3.33Å; E251-K254 IonicContact OE2-NZ 3.74Å; E251-K254 PolarHBondContact OE2-NZ 3.02Å; R252-K254 VanDerWaalsContact C-N 3.33Å; R252-K254 PolarHBondContact O-N 3.47Å; K254-L257 PolarHBondContact O-N 3.39Å; K254-Q258 WeakPolarHBondContact O-CB 3.38Å; K254-Q258 PolarHBondContact O-N 3.01Å |
| 255 | I | 98.3 | Very high | 98.2 | Very high | 75 Ų | 75 | 109.7 Ų | 109.7 | 39% | 0.385 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 176.2 | -67.9 | 166.4 | 0 | 0 | 0 | 110.6 | E251 R252 L257 Q258 Q259 | E251-I255 HydrophobicContact CG-CD1 4.23Å; E251-I255 VanDerWaalsContact O-CG1 3.29Å; E251-I255 WeakPolarHBondContact O-CG1 3.22Å; E251-I255 PolarHBondContact O-N 2.79Å; R252-I255 PolarHBondContact O-N 2.86Å; I255-L257 PolarHBondContact O-N 3.35Å; I255-Q258 PolarHBondContact O-N 3.02Å; I255-Q259 WeakPolarHBondContact O-CG 3.4Å; I255-Q259 PolarHBondContact O-N 3.37Å |
| 256 | L | 98.4 | Very high | 98.2 | Very high | 107 Ų | 107 | 110.3 Ų | 110.3 | 56% | 0.56 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.3 | -44.4 | 177.4 | -75.7 | 172.4 | 0 | 0 | 0 | 111.8 | R252 E253 Q258 Q259 K260 | R252-L256 WeakPolarHBondContact O-CB 3.16Å; R252-L256 WeakPolarHBondContact O-CG 3.27Å; R252-L256 PolarHBondContact O-N 2.97Å; E253-L256 PolarHBondContact O-N 3.29Å; L256-Q258 VanDerWaalsContact C-N 3.33Å; L256-Q258 PolarHBondContact O-N 2.9Å; L256-Q259 PolarHBondContact O-N 3.45Å; L256-K260 WeakPolarHBondContact O-CB 3.35Å; L256-K260 PolarHBondContact O-N 3.13Å |
| 257 | L | 98.4 | Very high | 98.2 | Very high | 107 Ų | 107 | 110.4 Ų | 110.4 | 56% | 0.56 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.1 | -43.7 | 176.3 | -175.6 | 63.2 | 0 | 0 | 0 | 110.8 | E253 K254 I255 Q259 K260 C261 | E253-L257 VanDerWaalsContact O-CB 3.3Å; E253-L257 WeakPolarHBondContact O-CB 3.37Å; E253-L257 PolarHBondContact O-N 2.63Å; K254-L257 PolarHBondContact O-N 3.39Å; I255-L257 PolarHBondContact O-N 3.35Å; L257-Q259 VanDerWaalsContact C-N 3.35Å; L257-Q259 PolarHBondContact O-N 3.45Å; L257-K260 PolarHBondContact O-N 2.75Å; L257-C261 WeakPolarHBondContact O-CB 3.36Å; L257-C261 PolarHBondContact O-N 2.63Å; L257-C261 PolarHBondContact O-SG 2.98Å; L257-C261 VanDerWaalsContact O-SG 3.32Å |
| 258 | Q | 98.3 | Very high | 98.2 | Very high | 104 Ų | 104 | 111.1 Ų | 111.1 | 49% | 0.486 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 177 | -161.2 | -168.8 | 29.2 | 0 | 0 | 111.8 | K254 I255 L256 R262 | K254-Q258 WeakPolarHBondContact O-CB 3.38Å; K254-Q258 PolarHBondContact O-N 3.01Å; I255-Q258 PolarHBondContact O-N 3.02Å; L256-Q258 VanDerWaalsContact C-N 3.33Å; L256-Q258 PolarHBondContact O-N 2.9Å; Q258-R262 VanDerWaalsContact O-CG 3.32Å; Q258-R262 WeakPolarHBondContact O-CG 3.35Å; Q258-R262 PolarHBondContact O-N 3.37Å |
| 259 | Q | 98.3 | Very high | 98.2 | Very high | 98 Ų | 98 | 111.6 Ų | 111.6 | 46% | 0.458 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 174.8 | -73.5 | 179.9 | -7.9 | 0 | 0 | 111.6 | I255 L256 L257 C261 R262 I263 | I255-Q259 WeakPolarHBondContact O-CG 3.4Å; I255-Q259 PolarHBondContact O-N 3.37Å; L256-Q259 PolarHBondContact O-N 3.45Å; L257-Q259 VanDerWaalsContact C-N 3.35Å; L257-Q259 PolarHBondContact O-N 3.45Å; Q259-C261 PolarHBondContact O-N 3.18Å; Q259-R262 PolarHBondContact O-N 2.91Å; Q259-I263 WeakPolarHBondContact O-CG1 3.46Å; Q259-I263 PolarHBondContact O-N 2.98Å |
| 260 | K | 98.6 | Very high | 98.2 | Very high | 130 Ų | 130 | 110.8 Ų | 110.8 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.3 | -49.6 | 175.9 | -178.2 | -178.5 | 176 | -177.6 | 0 | 111.4 | L256 L257 R262 I263 I264 | L256-K260 WeakPolarHBondContact O-CB 3.35Å; L256-K260 PolarHBondContact O-N 3.13Å; L257-K260 PolarHBondContact O-N 2.75Å; K260-R262 VanDerWaalsContact C-N 3.33Å; K260-R262 PolarHBondContact O-N 3.23Å; K260-I263 PolarHBondContact O-N 2.99Å; K260-I264 HydrophobicContact CD-CD1 4.49Å; K260-I264 HydrophobicContact CG-CD1 3.83Å; K260-I264 WeakPolarHBondContact O-CG1 3.41Å; K260-I264 PolarHBondContact O-N 3.43Å |
| 261 | C | 98.3 | Very high | 98.2 | Very high | 69 Ų | 69 | 108.8 Ų | 108.8 | 47% | 0.466 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.4 | -40.4 | 177.1 | -70.1 | 0 | 0 | 0 | 0 | 112.3 | L257 Q259 I263 K265 | L257-C261 WeakPolarHBondContact O-CB 3.36Å; L257-C261 PolarHBondContact O-N 2.63Å; L257-C261 PolarHBondContact O-SG 2.98Å; L257-C261 VanDerWaalsContact O-SG 3.32Å; Q259-C261 PolarHBondContact O-N 3.18Å; C261-I263 PolarHBondContact O-N 2.95Å; C261-K265 WeakPolarHBondContact O-CB 3.38Å; C261-K265 PolarHBondContact O-N 2.92Å |
| 262 | R | 98.5 | Very high | 98.2 | Very high | 140 Ų | 140 | 110.3 Ų | 110.3 | 53% | 0.528 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 175.5 | -73.8 | -177.8 | -137.4 | 178.1 | 4.3 | 112 | Q258 Q259 K260 K266 | Q258-R262 VanDerWaalsContact O-CG 3.32Å; Q258-R262 WeakPolarHBondContact O-CG 3.35Å; Q258-R262 PolarHBondContact O-N 3.37Å; Q259-R262 PolarHBondContact O-N 2.91Å; K260-R262 VanDerWaalsContact C-N 3.33Å; K260-R262 PolarHBondContact O-N 3.23Å; R262-K266 WeakPolarHBondContact O-CG 3.42Å; R262-K266 PolarHBondContact O-N 3.49Å; R262-K266 VanDerWaalsContact O-N 3.1Å |
| 263 | I | 98.2 | Very high | 98.2 | Very high | 117 Ų | 117 | 108.3 Ų | 108.3 | 60% | 0.6 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.4 | -47.6 | 179.3 | -67.9 | 168 | 0 | 0 | 0 | 110.5 | Q259 K260 C261 K265 K266 F267 | Q259-I263 WeakPolarHBondContact O-CG1 3.46Å; Q259-I263 PolarHBondContact O-N 2.98Å; K260-I263 PolarHBondContact O-N 2.99Å; C261-I263 PolarHBondContact O-N 2.95Å; I263-K265 VanDerWaalsContact C-N 3.35Å; I263-K265 PolarHBondContact O-N 3.41Å; I263-K266 PolarHBondContact O-N 2.98Å; I263-F267 WeakPolarHBondContact O-CB 3.41Å; I263-F267 PolarHBondContact O-N 3.45Å |
| 264 | I | 98.4 | Very high | 98.1 | Very high | 73 Ų | 73 | 111 Ų | 111 | 37% | 0.374 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -56.5 | -50.1 | 177.7 | -69.8 | 169.6 | 0 | 0 | 0 | 110.2 | K260 K266 F267 E268 | K260-I264 HydrophobicContact CD-CD1 4.49Å; K260-I264 HydrophobicContact CG-CD1 3.83Å; K260-I264 WeakPolarHBondContact O-CG1 3.41Å; K260-I264 PolarHBondContact O-N 3.43Å; I264-K266 VanDerWaalsContact C-N 3.32Å; I264-K266 PolarHBondContact O-N 3.36Å; I264-F267 WeakPolarHBondContact O-CB 3.24Å; I264-F267 PolarHBondContact O-N 2.98Å; I264-F267 VanDerWaalsContact O-N 3.1Å; I264-E268 HydrophobicContact CG2-CG 4.23Å; I264-E268 VanDerWaalsContact CG2-OE1 3.29Å; I264-E268 WeakPolarHBondContact CG2-OE1 3.45Å; I264-E268 WeakPolarHBondContact O-CB 3.26Å; I264-E268 WeakPolarHBondContact O-CG 3.09Å; I264-E268 PolarHBondContact O-N 3.15Å |
| 265 | K | 98.5 | Very high | 98.1 | Very high | 151 Ų | 151 | 111.1 Ų | 111.1 | 66% | 0.657 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.2 | -39.5 | 179.1 | -173.1 | 173.9 | -177.7 | 175.2 | 0 | 112.9 | C261 I263 L269 | C261-K265 WeakPolarHBondContact O-CB 3.38Å; C261-K265 PolarHBondContact O-N 2.92Å; I263-K265 VanDerWaalsContact C-N 3.35Å; I263-K265 PolarHBondContact O-N 3.41Å; K265-L269 WeakPolarHBondContact O-CB 3.46Å; K265-L269 PolarHBondContact O-N 3.29Å |
| 266 | K | 98.2 | Very high | 98.1 | Very high | 146 Ų | 146 | 113.6 Ų | 113.6 | 64% | 0.635 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65 | -43.3 | 175 | -77.9 | -178.6 | 178.8 | -173.2 | 0 | 111.6 | R262 I263 I264 L269 Q270 | R262-K266 WeakPolarHBondContact O-CG 3.42Å; R262-K266 PolarHBondContact O-N 3.49Å; R262-K266 VanDerWaalsContact O-N 3.1Å; I263-K266 PolarHBondContact O-N 2.98Å; I264-K266 VanDerWaalsContact C-N 3.32Å; I264-K266 PolarHBondContact O-N 3.36Å; K266-L269 PolarHBondContact O-N 3.38Å; K266-Q270 WeakPolarHBondContact O-CB 3.08Å; K266-Q270 WeakPolarHBondContact O-CG 3.29Å; K266-Q270 PolarHBondContact O-N 2.81Å |
| 267 | F | 98.1 | Very high | 98 | Very high | 141 Ų | 141 | 114 Ų | 114 | 62% | 0.618 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.6 | -46.9 | 178.8 | 177.6 | -96.6 | 0 | 0 | 0 | 111.7 | I263 I264 L269 Q270 S271 | I263-F267 WeakPolarHBondContact O-CB 3.41Å; I263-F267 PolarHBondContact O-N 3.45Å; I264-F267 WeakPolarHBondContact O-CB 3.24Å; I264-F267 PolarHBondContact O-N 2.98Å; I264-F267 VanDerWaalsContact O-N 3.1Å; F267-L269 PolarHBondContact O-N 2.85Å; F267-Q270 PolarHBondContact O-N 3.49Å; F267-S271 WeakPolarHBondContact O-CB 3.24Å; F267-S271 PolarHBondContact O-N 3.36Å |
| 268 | E | 97.9 | Very high | 98 | Very high | 114 Ų | 114 | 114.4 Ų | 114.4 | 53% | 0.533 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -57.6 | -47.4 | 175.6 | -73.9 | 170.3 | 171.8 | 0 | 0 | 111.3 | I264 Q270 S271 E272 | I264-E268 HydrophobicContact CG2-CG 4.23Å; I264-E268 VanDerWaalsContact CG2-OE1 3.29Å; I264-E268 WeakPolarHBondContact CG2-OE1 3.45Å; I264-E268 WeakPolarHBondContact O-CB 3.26Å; I264-E268 WeakPolarHBondContact O-CG 3.09Å; I264-E268 PolarHBondContact O-N 3.15Å; E268-Q270 PolarHBondContact O-N 2.98Å; E268-S271 WeakPolarHBondContact O-CB 3.48Å; E268-S271 PolarHBondContact O-N 2.98Å; E268-E272 WeakPolarHBondContact O-CB 3.46Å; E268-E272 PolarHBondContact O-N 3.43Å |
| 269 | L | 98.3 | Very high | 97.9 | Very high | 110 Ų | 110 | 114.5 Ų | 114.5 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.1 | -42.4 | 179.2 | -171 | 141.7 | 0 | 0 | 0 | 112.3 | K265 K266 F267 E272 E273 | K265-L269 WeakPolarHBondContact O-CB 3.46Å; K265-L269 PolarHBondContact O-N 3.29Å; K266-L269 PolarHBondContact O-N 3.38Å; F267-L269 PolarHBondContact O-N 2.85Å; L269-E272 PolarHBondContact O-N 3.3Å; L269-E273 WeakPolarHBondContact O-CB 3.23Å; L269-E273 PolarHBondContact O-N 3.13Å |
| 270 | Q | 97.8 | Very high | 97.9 | Very high | 107 Ų | 107 | 114.7 Ų | 114.7 | 50% | 0.5 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.6 | -36.7 | 175.2 | -74.2 | -179.5 | -0.2 | 0 | 0 | 112.6 | K266 F267 E268 K274 | K266-Q270 WeakPolarHBondContact O-CB 3.08Å; K266-Q270 WeakPolarHBondContact O-CG 3.29Å; K266-Q270 PolarHBondContact O-N 2.81Å; F267-Q270 PolarHBondContact O-N 3.49Å; E268-Q270 PolarHBondContact O-N 2.98Å; Q270-K274 WeakPolarHBondContact O-CB 3.45Å; Q270-K274 VanDerWaalsContact O-CG 3.3Å; Q270-K274 WeakPolarHBondContact O-CG 3.4Å; Q270-K274 PolarHBondContact O-N 3.23Å |
| 271 | S | 96.6 | Very high | 97.9 | Very high | 61 Ų | 61 | 112 Ų | 112 | 43% | 0.427 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.4 | -47.9 | 175.8 | -175.1 | 0 | 0 | 0 | 0 | 110.8 | F267 E268 E273 K274 K275 | F267-S271 WeakPolarHBondContact O-CB 3.24Å; F267-S271 PolarHBondContact O-N 3.36Å; E268-S271 WeakPolarHBondContact O-CB 3.48Å; E268-S271 PolarHBondContact O-N 2.98Å; S271-E273 PolarHBondContact O-N 2.98Å; S271-K274 PolarHBondContact O-N 3.12Å; S271-K275 VanDerWaalsContact O-CB 3.32Å; S271-K275 WeakPolarHBondContact O-CB 3.5Å; S271-K275 PolarHBondContact O-N 3.17Å |
| 272 | E | 98.1 | Very high | 97.8 | Very high | 119 Ų | 119 | 112.9 Ų | 112.9 | 56% | 0.556 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.1 | -42.1 | 177.5 | -159.6 | 69.3 | -132.3 | 0 | 0 | 111.2 | E268 L269 K275 K276 | E268-E272 WeakPolarHBondContact O-CB 3.46Å; E268-E272 PolarHBondContact O-N 3.43Å; L269-E272 PolarHBondContact O-N 3.3Å; E272-K275 PolarHBondContact O-N 3.44Å; E272-K276 VanDerWaalsContact O-CB 3.32Å; E272-K276 WeakPolarHBondContact O-CB 3.48Å; E272-K276 PolarHBondContact O-N 2.84Å |
| 273 | E | 97.6 | Very high | 97.8 | Very high | 89 Ų | 89 | 109 Ų | 109 | 42% | 0.416 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 177 | -166 | -171.2 | 160.9 | 0 | 0 | 112 | L269 S271 K276 K277 | L269-E273 WeakPolarHBondContact O-CB 3.23Å; L269-E273 PolarHBondContact O-N 3.13Å; S271-E273 PolarHBondContact O-N 2.98Å; E273-K276 PolarHBondContact O-N 2.92Å; E273-K277 WeakPolarHBondContact O-CG 3.31Å; E273-K277 PolarHBondContact O-N 2.91Å; E273-K277 VanDerWaalsContact OE1-CE 3.27Å; E273-K277 WeakPolarHBondContact OE1-CE 3.49Å; E273-K277 IonicContact OE1-NZ 2.65Å; E273-K277 PolarHBondContact OE1-NZ 2.9Å |
| 274 | K | 96.5 | Very high | 97.8 | Very high | 150 Ų | 150 | 105.7 Ų | 105.7 | 65% | 0.652 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.6 | -43.1 | 174.5 | -78.1 | 179.4 | 179.4 | -179.5 | 0 | 111.8 | Q270 S271 K276 K277 M278 | Q270-K274 WeakPolarHBondContact O-CB 3.45Å; Q270-K274 VanDerWaalsContact O-CG 3.3Å; Q270-K274 WeakPolarHBondContact O-CG 3.4Å; Q270-K274 PolarHBondContact O-N 3.23Å; S271-K274 PolarHBondContact O-N 3.12Å; K274-K276 VanDerWaalsContact C-N 3.33Å; K274-K277 PolarHBondContact O-N 3.35Å; K274-M278 WeakPolarHBondContact O-CB 3.48Å; K274-M278 PolarHBondContact O-N 3.48Å |
| 275 | K | 98.1 | Very high | 97.7 | Very high | 125 Ų | 125 | 106.6 Ų | 106.6 | 54% | 0.543 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 175.9 | -175.2 | -175.4 | 174.1 | -168.3 | 0 | 110.9 | S271 E272 M278 N279 | S271-K275 VanDerWaalsContact O-CB 3.32Å; S271-K275 WeakPolarHBondContact O-CB 3.5Å; S271-K275 PolarHBondContact O-N 3.17Å; E272-K275 PolarHBondContact O-N 3.44Å; K275-M278 PolarHBondContact O-N 3.37Å; K275-N279 WeakPolarHBondContact O-CB 3.39Å; K275-N279 PolarHBondContact O-N 2.86Å |
| 276 | K | 98.3 | Very high | 97.7 | Very high | 128 Ų | 128 | 102.5 Ų | 102.5 | 56% | 0.557 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.3 | -50.6 | 174.9 | -179.1 | 174.8 | 171.7 | 178.1 | 0 | 111.6 | E272 E273 K274 M278 N279 E280 | E272-K276 VanDerWaalsContact O-CB 3.32Å; E272-K276 WeakPolarHBondContact O-CB 3.48Å; E272-K276 PolarHBondContact O-N 2.84Å; E273-K276 PolarHBondContact O-N 2.92Å; K274-K276 VanDerWaalsContact C-N 3.33Å; K276-M278 VanDerWaalsContact C-N 3.33Å; K276-M278 PolarHBondContact O-N 2.8Å; K276-N279 PolarHBondContact O-N 3.49Å; K276-N279 VanDerWaalsContact O-N 3.15Å; K276-E280 WeakPolarHBondContact CE-OE1 3.35Å; K276-E280 HydrophobicContact CG-CG 4.45Å; K276-E280 WeakPolarHBondContact CG-OE1 3.3Å; K276-E280 IonicContact NZ-OE1 2.83Å; K276-E280 WeakPolarHBondContact O-CB 3.48Å; K276-E280 WeakPolarHBondContact O-CG 3.28Å; K276-E280 PolarHBondContact O-N 3.21Å |
| 277 | K | 98 | Very high | 97.6 | Very high | 116 Ų | 116 | 99.9 Ų | 99.9 | 50% | 0.504 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.9 | -42.5 | 176.7 | -74.2 | 175.1 | -175.2 | 167.8 | 0 | 112.6 | E273 K274 S281 | E273-K277 WeakPolarHBondContact O-CG 3.31Å; E273-K277 PolarHBondContact O-N 2.91Å; E273-K277 VanDerWaalsContact OE1-CE 3.27Å; E273-K277 WeakPolarHBondContact OE1-CE 3.49Å; E273-K277 IonicContact OE1-NZ 2.65Å; E273-K277 PolarHBondContact OE1-NZ 2.9Å; K274-K277 PolarHBondContact O-N 3.35Å; K277-S281 WeakPolarHBondContact O-CB 3.42Å; K277-S281 PolarHBondContact O-N 3.37Å |
| 278 | M | 97.3 | Very high | 97.6 | Very high | 114 Ų | 114 | 97 Ų | 97 | 56% | 0.562 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.5 | -45.1 | 175.5 | -179.4 | 177.1 | 65.2 | 0 | 0 | 111 | K274 K275 K276 S281 I282 | K274-M278 WeakPolarHBondContact O-CB 3.48Å; K274-M278 PolarHBondContact O-N 3.48Å; K275-M278 PolarHBondContact O-N 3.37Å; K276-M278 VanDerWaalsContact C-N 3.33Å; K276-M278 PolarHBondContact O-N 2.8Å; M278-S281 PolarHBondContact O-N 3.29Å; M278-I282 HydrophobicContact CG-CD1 3.87Å; M278-I282 HydrophobicContact CG-CG1 4.5Å; M278-I282 VanDerWaalsContact O-CG1 3.25Å; M278-I282 WeakPolarHBondContact O-CG1 3.49Å; M278-I282 PolarHBondContact O-N 3.26Å |
| 279 | N | 97.3 | Very high | 97.6 | Very high | 107 Ų | 107 | 98.1 Ų | 98.1 | 57% | 0.572 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66 | -40.5 | 179.4 | -161.4 | 68 | 0 | 0 | 0 | 112.3 | K275 K276 I282 S283 | K275-N279 WeakPolarHBondContact O-CB 3.39Å; K275-N279 PolarHBondContact O-N 2.86Å; K276-N279 PolarHBondContact O-N 3.49Å; K276-N279 VanDerWaalsContact O-N 3.15Å; N279-I282 PolarHBondContact O-N 2.86Å; N279-S283 WeakPolarHBondContact O-CB 3.49Å; N279-S283 PolarHBondContact O-N 2.72Å |
| 280 | E | 97.9 | Very high | 97.5 | Very high | 102 Ų | 102 | 95.2 Ų | 95.2 | 48% | 0.477 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 172.4 | -73.1 | 168.7 | 176 | 0 | 0 | 111.3 | K276 S283 A284 | K276-E280 WeakPolarHBondContact CE-OE1 3.35Å; K276-E280 HydrophobicContact CG-CG 4.45Å; K276-E280 WeakPolarHBondContact CG-OE1 3.3Å; K276-E280 IonicContact NZ-OE1 2.83Å; K276-E280 WeakPolarHBondContact O-CB 3.48Å; K276-E280 WeakPolarHBondContact O-CG 3.28Å; K276-E280 PolarHBondContact O-N 3.21Å; E280-S283 PolarHBondContact O-N 2.94Å; E280-A284 WeakPolarHBondContact O-CB 3.36Å; E280-A284 PolarHBondContact O-N 3.44Å |
| 281 | S | 97.5 | Very high | 97.5 | Very high | 72 Ų | 72 | 98 Ų | 98 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 175.5 | -174.2 | 0 | 0 | 0 | 0 | 112.4 | K277 M278 A284 V285 | K277-S281 WeakPolarHBondContact O-CB 3.42Å; K277-S281 PolarHBondContact O-N 3.37Å; M278-S281 PolarHBondContact O-N 3.29Å; S281-A284 PolarHBondContact O-N 3.49Å; S281-V285 WeakPolarHBondContact O-CG2 3.43Å; S281-V285 PolarHBondContact O-N 3.4Å |
| 282 | I | 97.3 | Very high | 97.5 | Very high | 89 Ų | 89 | 101 Ų | 101 | 46% | 0.456 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -48.7 | 176 | -71.2 | 165.5 | 0 | 0 | 0 | 109.6 | M278 N279 A284 V285 S286 | M278-I282 HydrophobicContact CG-CD1 3.87Å; M278-I282 HydrophobicContact CG-CG1 4.5Å; M278-I282 VanDerWaalsContact O-CG1 3.25Å; M278-I282 WeakPolarHBondContact O-CG1 3.49Å; M278-I282 PolarHBondContact O-N 3.26Å; N279-I282 PolarHBondContact O-N 2.86Å; I282-A284 VanDerWaalsContact C-N 3.34Å; I282-A284 PolarHBondContact O-N 2.89Å; I282-V285 PolarHBondContact O-N 3.38Å; I282-S286 PolarHBondContact O-N 2.85Å; I282-S286 PolarHBondContact O-OG 3.01Å |
| 283 | S | 97.6 | Very high | 97.5 | Very high | 59 Ų | 59 | 101.2 Ų | 101.2 | 41% | 0.413 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -56.9 | -47.5 | 176.9 | -165.2 | 0 | 0 | 0 | 0 | 111.3 | N279 E280 V285 S286 D287 | N279-S283 WeakPolarHBondContact O-CB 3.49Å; N279-S283 PolarHBondContact O-N 2.72Å; E280-S283 PolarHBondContact O-N 2.94Å; S283-V285 VanDerWaalsContact C-N 3.35Å; S283-V285 PolarHBondContact O-N 2.88Å; S283-S286 PolarHBondContact O-N 3.41Å; S283-D287 WeakPolarHBondContact O-CB 3.36Å; S283-D287 PolarHBondContact O-N 3.21Å |
| 284 | A | 98 | Very high | 97.5 | Very high | 47 Ų | 47 | 103.7 Ų | 103.7 | 39% | 0.388 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E280 S281 I282 N288 | E280-A284 WeakPolarHBondContact O-CB 3.36Å; E280-A284 PolarHBondContact O-N 3.44Å; S281-A284 PolarHBondContact O-N 3.49Å; I282-A284 VanDerWaalsContact C-N 3.34Å; I282-A284 PolarHBondContact O-N 2.89Å; A284-N288 WeakPolarHBondContact O-CB 3.09Å; A284-N288 PolarHBondContact O-N 3.31Å; A284-N288 PolarHBondContact O-ND2 3.41Å; A284-N288 PolarHBondContact O-OD1 2.98Å |
| 285 | V | 97.6 | Very high | 97.5 | Very high | 91 Ų | 91 | 100.9 Ų | 100.9 | 55% | 0.552 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.4 | -41.9 | 175.4 | 171.3 | 0 | 0 | 0 | 0 | 111 | S281 I282 S283 N288 F289 | S281-V285 WeakPolarHBondContact O-CG2 3.43Å; S281-V285 PolarHBondContact O-N 3.4Å; I282-V285 PolarHBondContact O-N 3.38Å; S283-V285 VanDerWaalsContact C-N 3.35Å; S283-V285 PolarHBondContact O-N 2.88Å; V285-N288 PolarHBondContact O-N 3.41Å; V285-F289 WeakPolarHBondContact O-CB 3.37Å; V285-F289 PolarHBondContact O-N 2.88Å |
| 286 | S | 96.9 | Very high | 97.5 | Very high | 66 Ų | 66 | 100.1 Ų | 100.1 | 46% | 0.462 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 175.7 | -65.5 | 0 | 0 | 0 | 0 | 112.3 | I282 S283 F289 A290 | I282-S286 PolarHBondContact O-N 2.85Å; I282-S286 PolarHBondContact O-OG 3.01Å; S283-S286 PolarHBondContact O-N 3.41Å; S286-F289 PolarHBondContact O-N 3.14Å; S286-A290 WeakPolarHBondContact O-CB 3.37Å; S286-A290 PolarHBondContact O-N 2.89Å |
| 287 | D | 97.8 | Very high | 97.4 | Very high | 91 Ų | 91 | 98.5 Ų | 98.5 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.6 | -40 | 177.2 | -65.8 | -24.9 | 0 | 0 | 0 | 111.3 | S283 A290 R291 | S283-D287 WeakPolarHBondContact O-CB 3.36Å; S283-D287 PolarHBondContact O-N 3.21Å; D287-A290 PolarHBondContact O-N 2.87Å; D287-R291 WeakPolarHBondContact O-CG 3.21Å; D287-R291 PolarHBondContact O-N 3.01Å |
| 288 | N | 97.6 | Very high | 97.4 | Very high | 80 Ų | 80 | 98.6 Ų | 98.6 | 43% | 0.428 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.6 | -47.2 | 173.1 | -73.7 | -14.1 | 0 | 0 | 0 | 111.7 | A284 V285 A290 R291 E292 | A284-N288 WeakPolarHBondContact O-CB 3.09Å; A284-N288 PolarHBondContact O-N 3.31Å; A284-N288 PolarHBondContact O-ND2 3.41Å; A284-N288 PolarHBondContact O-OD1 2.98Å; V285-N288 PolarHBondContact O-N 3.41Å; N288-A290 VanDerWaalsContact C-N 3.32Å; N288-A290 PolarHBondContact O-N 3.42Å; N288-R291 PolarHBondContact O-N 2.97Å; N288-R291 PolarHBondContact OD1-NH2 2.94Å; N288-E292 WeakPolarHBondContact O-CB 3.48Å; N288-E292 PolarHBondContact O-N 3.28Å |
| 289 | F | 97.1 | Very high | 97.4 | Very high | 137 Ų | 137 | 97 Ų | 97 | 60% | 0.601 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.8 | -40.8 | 177.4 | 178.4 | -98.8 | 0 | 0 | 0 | 111.7 | V285 S286 E292 K293 | V285-F289 WeakPolarHBondContact O-CB 3.37Å; V285-F289 PolarHBondContact O-N 2.88Å; S286-F289 PolarHBondContact O-N 3.14Å; F289-E292 PolarHBondContact O-N 2.9Å; F289-K293 VanDerWaalsContact O-CB 3.25Å; F289-K293 WeakPolarHBondContact O-CB 3.45Å; F289-K293 PolarHBondContact O-N 2.93Å |
| 290 | A | 97.1 | Very high | 97.4 | Very high | 50 Ų | 50 | 96.8 Ų | 96.8 | 41% | 0.413 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S286 D287 N288 K293 E294 | S286-A290 WeakPolarHBondContact O-CB 3.37Å; S286-A290 PolarHBondContact O-N 2.89Å; D287-A290 PolarHBondContact O-N 2.87Å; N288-A290 VanDerWaalsContact C-N 3.32Å; N288-A290 PolarHBondContact O-N 3.42Å; A290-K293 PolarHBondContact O-N 3.37Å; A290-E294 WeakPolarHBondContact O-CB 3.41Å; A290-E294 PolarHBondContact O-N 3.26Å |
| 291 | R | 97.5 | Very high | 97.4 | Very high | 165 Ų | 165 | 96.4 Ų | 96.4 | 62% | 0.623 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.2 | -46.1 | 176 | -73.3 | -169.8 | -65.5 | 166.6 | -2.2 | 112.8 | D287 N288 K293 E294 E295 | D287-R291 WeakPolarHBondContact O-CG 3.21Å; D287-R291 PolarHBondContact O-N 3.01Å; N288-R291 PolarHBondContact O-N 2.97Å; N288-R291 PolarHBondContact OD1-NH2 2.94Å; R291-K293 VanDerWaalsContact C-N 3.33Å; R291-K293 PolarHBondContact O-N 3.27Å; R291-E294 PolarHBondContact O-N 3.18Å; R291-E295 WeakPolarHBondContact O-CB 3.31Å; R291-E295 PolarHBondContact O-N 2.93Å |
| 292 | E | 96.9 | Very high | 97.4 | Very high | 123 Ų | 123 | 97 Ų | 97 | 58% | 0.575 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.4 | -42.2 | 178.2 | -175.4 | 179.1 | -172.9 | 0 | 0 | 111.3 | N288 F289 E294 E295 L296 | N288-E292 WeakPolarHBondContact O-CB 3.48Å; N288-E292 PolarHBondContact O-N 3.28Å; F289-E292 PolarHBondContact O-N 2.9Å; E292-E294 PolarHBondContact O-N 3.42Å; E292-E295 PolarHBondContact O-N 3.41Å; E292-L296 HydrophobicContact CG-CD1 4.35Å; E292-L296 WeakPolarHBondContact O-CB 3.24Å; E292-L296 WeakPolarHBondContact O-CG 3.24Å; E292-L296 PolarHBondContact O-N 3.38Å |
| 293 | K | 97.8 | Very high | 97.4 | Very high | 124 Ų | 124 | 95.9 Ų | 95.9 | 54% | 0.539 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 174.4 | -179.1 | -172.6 | 172.6 | -172 | 0 | 111.9 | F289 A290 R291 L296 L297 | F289-K293 VanDerWaalsContact O-CB 3.25Å; F289-K293 WeakPolarHBondContact O-CB 3.45Å; F289-K293 PolarHBondContact O-N 2.93Å; A290-K293 PolarHBondContact O-N 3.37Å; R291-K293 VanDerWaalsContact C-N 3.33Å; R291-K293 PolarHBondContact O-N 3.27Å; K293-L296 PolarHBondContact O-N 3.31Å; K293-L297 HydrophobicContact CG-CD1 4.33Å; K293-L297 WeakPolarHBondContact O-CG 3.49Å; K293-L297 PolarHBondContact O-N 2.91Å |
| 294 | E | 97.6 | Very high | 97.4 | Very high | 142 Ų | 142 | 96.2 Ų | 96.2 | 66% | 0.664 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.6 | -40 | 178.9 | -173.1 | 164.2 | -152.5 | 0 | 0 | 111.7 | A290 R291 E292 L297 R298 | A290-E294 WeakPolarHBondContact O-CB 3.41Å; A290-E294 PolarHBondContact O-N 3.26Å; R291-E294 PolarHBondContact O-N 3.18Å; E292-E294 PolarHBondContact O-N 3.42Å; E294-L297 WeakPolarHBondContact O-CB 3.32Å; E294-L297 PolarHBondContact O-N 2.98Å; E294-R298 PolarHBondContact O-N 3.21Å |
| 295 | E | 97.4 | Very high | 97.4 | Very high | 90 Ų | 90 | 99.4 Ų | 99.4 | 42% | 0.421 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 175.3 | -176.3 | 63.1 | -175.5 | 0 | 0 | 112.4 | R291 E292 L297 R298 Q299 | R291-E295 WeakPolarHBondContact O-CB 3.31Å; R291-E295 PolarHBondContact O-N 2.93Å; E292-E295 PolarHBondContact O-N 3.41Å; E295-L297 VanDerWaalsContact C-N 3.32Å; E295-L297 PolarHBondContact O-N 2.94Å; E295-R298 WeakPolarHBondContact O-CB 3.38Å; E295-R298 PolarHBondContact O-N 3.05Å; E295-R298 IonicContact OE1-CZ 3.66Å; E295-R298 IonicContact OE1-NE 3.05Å; E295-R298 IonicContact OE1-NH2 2.95Å; E295-R298 PolarHBondContact OE1-NH2 3.47Å; E295-R298 IonicContact OE2-CZ 3.99Å; E295-R298 IonicContact OE2-NE 2.9Å; E295-R298 PolarHBondContact OE2-NE 2.91Å; E295-R298 IonicContact OE2-NH2 3.85Å; E295-R298 PolarHBondContact OE2-NH2 2.91Å; E295-Q299 PolarHBondContact O-N 3.24Å |
| 296 | L | 97.3 | Very high | 97.4 | Very high | 110 Ų | 110 | 100.6 Ų | 100.6 | 58% | 0.576 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.3 | -38.1 | 174.4 | -76.1 | 172.8 | 0 | 0 | 0 | 112.2 | E292 K293 H300 | E292-L296 HydrophobicContact CG-CD1 4.35Å; E292-L296 WeakPolarHBondContact O-CB 3.24Å; E292-L296 WeakPolarHBondContact O-CG 3.24Å; E292-L296 PolarHBondContact O-N 3.38Å; K293-L296 PolarHBondContact O-N 3.31Å; L296-H300 VanDerWaalsContact O-CB 3.3Å; L296-H300 WeakPolarHBondContact O-CB 3.28Å; L296-H300 PolarHBondContact O-N 3.47Å |
| 297 | L | 97.2 | Very high | 97.3 | Very high | 93 Ų | 93 | 101.8 Ų | 101.8 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 173.7 | -78.4 | 166.7 | 0 | 0 | 0 | 111.2 | K293 E294 E295 H300 D301 | K293-L297 HydrophobicContact CG-CD1 4.33Å; K293-L297 WeakPolarHBondContact O-CG 3.49Å; K293-L297 PolarHBondContact O-N 2.91Å; E294-L297 WeakPolarHBondContact O-CB 3.32Å; E294-L297 PolarHBondContact O-N 2.98Å; E295-L297 VanDerWaalsContact C-N 3.32Å; E295-L297 PolarHBondContact O-N 2.94Å; L297-H300 WeakPolarHBondContact O-CB 3.44Å; L297-H300 PolarHBondContact O-N 2.63Å; L297-D301 PolarHBondContact O-N 2.98Å |
| 298 | R | 97.6 | Very high | 97.3 | Very high | 119 Ų | 119 | 101.6 Ų | 101.6 | 45% | 0.449 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 176.8 | -170.7 | 178.1 | 70.2 | 94.1 | -6.3 | 111.8 | E294 E295 H300 D301 E302 | E294-R298 PolarHBondContact O-N 3.21Å; E295-R298 WeakPolarHBondContact O-CB 3.38Å; E295-R298 PolarHBondContact O-N 3.05Å; E295-R298 IonicContact OE1-CZ 3.66Å; E295-R298 IonicContact OE1-NE 3.05Å; E295-R298 IonicContact OE1-NH2 2.95Å; E295-R298 PolarHBondContact OE1-NH2 3.47Å; E295-R298 IonicContact OE2-CZ 3.99Å; E295-R298 IonicContact OE2-NE 2.9Å; E295-R298 PolarHBondContact OE2-NE 2.91Å; E295-R298 IonicContact OE2-NH2 3.85Å; E295-R298 PolarHBondContact OE2-NH2 2.91Å; R298-H300 VanDerWaalsContact C-N 3.34Å; R298-H300 PolarHBondContact O-N 2.9Å; R298-D301 PolarHBondContact O-N 3.4Å; R298-E302 IonicContact CZ-OE1 2.63Å; R298-E302 IonicContact NH1-OE1 2.63Å; R298-E302 PolarHBondContact NH1-OE1 3.4Å; R298-E302 WeakPolarHBondContact O-CG 3.48Å; R298-E302 PolarHBondContact O-N 3.34Å |
| 299 | Q | 97.3 | Very high | 97.2 | Very high | 79 Ų | 79 | 104.4 Ų | 104.4 | 37% | 0.369 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 176.2 | -174.7 | 63.1 | 50.6 | 0 | 0 | 111.6 | E295 D301 E302 D303 | E295-Q299 PolarHBondContact O-N 3.24Å; Q299-D301 VanDerWaalsContact C-N 3.31Å; Q299-D301 PolarHBondContact O-N 3.46Å; Q299-E302 PolarHBondContact O-N 3.49Å; Q299-D303 PolarHBondContact NE2-OD1 2.91Å; Q299-D303 VanDerWaalsContact O-CG 3.27Å; Q299-D303 PolarHBondContact O-N 3.38Å |
| 300 | H | 97.3 | Very high | 97.2 | Very high | 104 Ų | 104 | 103.1 Ų | 103.1 | 48% | 0.481 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.2 | -41.1 | 177.2 | 171.3 | -89.5 | 0 | 0 | 0 | 112.2 | L296 L297 R298 D303 I304 | L296-H300 VanDerWaalsContact O-CB 3.3Å; L296-H300 WeakPolarHBondContact O-CB 3.28Å; L296-H300 PolarHBondContact O-N 3.47Å; L297-H300 WeakPolarHBondContact O-CB 3.44Å; L297-H300 PolarHBondContact O-N 2.63Å; R298-H300 VanDerWaalsContact C-N 3.34Å; R298-H300 PolarHBondContact O-N 2.9Å; H300-D303 PolarHBondContact O-N 2.97Å; H300-I304 WeakPolarHBondContact CE1-CD1 3.44Å; H300-I304 WeakPolarHBondContact O-CG1 3.33Å; H300-I304 PolarHBondContact O-N 3.4Å |
| 301 | D | 97.4 | Very high | 97.2 | Very high | 94 Ų | 94 | 107 Ų | 107 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.6 | -39.1 | 176.6 | -69.9 | -16.5 | 0 | 0 | 0 | 111.9 | L297 R298 Q299 I304 L305 | L297-D301 PolarHBondContact O-N 2.98Å; R298-D301 PolarHBondContact O-N 3.4Å; Q299-D301 VanDerWaalsContact C-N 3.31Å; Q299-D301 PolarHBondContact O-N 3.46Å; D301-I304 PolarHBondContact O-N 3.42Å; D301-L305 WeakPolarHBondContact O-CG 3.35Å; D301-L305 PolarHBondContact O-N 3.03Å; D301-L305 VanDerWaalsContact O-N 3.13Å |
| 302 | E | 97.6 | Very high | 97.1 | Very high | 84 Ų | 84 | 105.6 Ų | 105.6 | 39% | 0.393 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 173 | -72.6 | 174 | -161.9 | 0 | 0 | 111.7 | R298 Q299 I304 L305 Q306 | R298-E302 IonicContact CZ-OE1 2.63Å; R298-E302 IonicContact NH1-OE1 2.63Å; R298-E302 PolarHBondContact NH1-OE1 3.4Å; R298-E302 WeakPolarHBondContact O-CG 3.48Å; R298-E302 PolarHBondContact O-N 3.34Å; Q299-E302 PolarHBondContact O-N 3.49Å; E302-I304 VanDerWaalsContact C-N 3.31Å; E302-I304 PolarHBondContact O-N 3.37Å; E302-L305 WeakPolarHBondContact O-CB 3.32Å; E302-L305 PolarHBondContact O-N 3.17Å; E302-L305 VanDerWaalsContact O-N 3.13Å; E302-Q306 PolarHBondContact O-N 2.93Å |
| 303 | D | 97.1 | Very high | 97.1 | Very high | 66 Ų | 66 | 102.4 Ų | 102.4 | 35% | 0.353 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.7 | -39.1 | 177.2 | -69.8 | -8.5 | 0 | 0 | 0 | 111.3 | Q299 H300 L305 Q306 I307 | Q299-D303 PolarHBondContact NE2-OD1 2.91Å; Q299-D303 VanDerWaalsContact O-CG 3.27Å; Q299-D303 PolarHBondContact O-N 3.38Å; H300-D303 PolarHBondContact O-N 2.97Å; D303-L305 VanDerWaalsContact C-N 3.34Å; D303-L305 PolarHBondContact O-N 3.35Å; D303-Q306 PolarHBondContact O-N 3.13Å; D303-I307 WeakPolarHBondContact O-CB 3.3Å; D303-I307 WeakPolarHBondContact O-CG1 3.49Å; D303-I307 PolarHBondContact O-N 3.03Å |
| 304 | I | 97.6 | Very high | 97 | Very high | 65 Ų | 65 | 102.4 Ų | 102.4 | 33% | 0.333 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 173.8 | -76.7 | 174.5 | 0 | 0 | 0 | 110.9 | H300 D301 E302 I307 Q308 | H300-I304 WeakPolarHBondContact CE1-CD1 3.44Å; H300-I304 WeakPolarHBondContact O-CG1 3.33Å; H300-I304 PolarHBondContact O-N 3.4Å; D301-I304 PolarHBondContact O-N 3.42Å; E302-I304 VanDerWaalsContact C-N 3.31Å; E302-I304 PolarHBondContact O-N 3.37Å; I304-I307 PolarHBondContact O-N 3.37Å; I304-Q308 WeakPolarHBondContact O-CG 3.24Å; I304-Q308 PolarHBondContact O-N 2.9Å |
| 305 | L | 97.3 | Very high | 97 | Very high | 114 Ų | 114 | 101 Ų | 101 | 60% | 0.597 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.4 | -44.6 | 178.2 | -70.8 | 172.5 | 0 | 0 | 0 | 111 | D301 E302 D303 I307 Q308 E309 | D301-L305 WeakPolarHBondContact O-CG 3.35Å; D301-L305 PolarHBondContact O-N 3.03Å; D301-L305 VanDerWaalsContact O-N 3.13Å; E302-L305 WeakPolarHBondContact O-CB 3.32Å; E302-L305 PolarHBondContact O-N 3.17Å; E302-L305 VanDerWaalsContact O-N 3.13Å; D303-L305 VanDerWaalsContact C-N 3.34Å; D303-L305 PolarHBondContact O-N 3.35Å; L305-I307 PolarHBondContact O-N 2.93Å; L305-Q308 WeakPolarHBondContact O-CB 3.47Å; L305-Q308 PolarHBondContact O-N 3.46Å; L305-E309 PolarHBondContact O-N 2.88Å |
| 306 | Q | 97.3 | Very high | 96.9 | Very high | 117 Ų | 117 | 101.5 Ų | 101.5 | 55% | 0.547 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 177.3 | -167.6 | 178.8 | 31.8 | 0 | 0 | 111.9 | E302 D303 Q308 E309 L310 | E302-Q306 PolarHBondContact O-N 2.93Å; D303-Q306 PolarHBondContact O-N 3.13Å; Q306-Q308 VanDerWaalsContact C-N 3.31Å; Q306-Q308 PolarHBondContact O-N 2.9Å; Q306-E309 PolarHBondContact O-N 3.36Å; Q306-L310 HydrophobicContact CG-CD1 4.38Å; Q306-L310 WeakPolarHBondContact O-CB 3.12Å; Q306-L310 WeakPolarHBondContact O-CG 3.44Å; Q306-L310 PolarHBondContact O-N 3.49Å |
| 307 | I | 96.4 | Very high | 96.7 | Very high | 90 Ų | 90 | 101 Ų | 101 | 46% | 0.462 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 175.1 | -72.4 | 166.1 | 0 | 0 | 0 | 110.9 | D303 I304 L305 R311 | D303-I307 WeakPolarHBondContact O-CB 3.3Å; D303-I307 WeakPolarHBondContact O-CG1 3.49Å; D303-I307 PolarHBondContact O-N 3.03Å; I304-I307 PolarHBondContact O-N 3.37Å; L305-I307 PolarHBondContact O-N 2.93Å; I307-R311 WeakPolarHBondContact O-CB 3.45Å; I307-R311 PolarHBondContact O-N 3.48Å |
| 308 | Q | 96.8 | Very high | 96.6 | Very high | 87 Ų | 87 | 100.7 Ų | 100.7 | 41% | 0.407 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65 | -40.9 | 176.6 | -73.5 | -179.3 | 9.1 | 0 | 0 | 112.1 | I304 L305 Q306 R311 K312 | I304-Q308 WeakPolarHBondContact O-CG 3.24Å; I304-Q308 PolarHBondContact O-N 2.9Å; L305-Q308 WeakPolarHBondContact O-CB 3.47Å; L305-Q308 PolarHBondContact O-N 3.46Å; Q306-Q308 VanDerWaalsContact C-N 3.31Å; Q306-Q308 PolarHBondContact O-N 2.9Å; Q308-R311 PolarHBondContact O-N 3.32Å; Q308-K312 WeakPolarHBondContact O-CG 3.46Å; Q308-K312 PolarHBondContact O-N 3.42Å |
| 309 | E | 96.2 | Very high | 96.5 | Very high | 139 Ų | 139 | 97.1 Ų | 97.1 | 65% | 0.65 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.4 | -46.8 | 177 | -172.3 | 170.4 | -156.9 | 0 | 0 | 111.8 | L305 Q306 R311 K312 S313 | L305-E309 PolarHBondContact O-N 2.88Å; Q306-E309 PolarHBondContact O-N 3.36Å; E309-R311 VanDerWaalsContact C-N 3.26Å; E309-R311 PolarHBondContact O-N 3.37Å; E309-K312 WeakPolarHBondContact O-CB 3.25Å; E309-K312 PolarHBondContact O-N 3.25Å; E309-K312 VanDerWaalsContact O-N 3.14Å; E309-S313 PolarHBondContact O-N 2.83Å |
| 310 | L | 96.3 | Very high | 96.3 | Very high | 111 Ų | 111 | 98.4 Ų | 98.4 | 58% | 0.581 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -58.7 | -38.7 | 173.7 | -73.5 | 173.4 | 0 | 0 | 0 | 111.9 | Q306 S313 K314 | Q306-L310 HydrophobicContact CG-CD1 4.38Å; Q306-L310 WeakPolarHBondContact O-CB 3.12Å; Q306-L310 WeakPolarHBondContact O-CG 3.44Å; Q306-L310 PolarHBondContact O-N 3.49Å; L310-S313 PolarHBondContact O-N 3.37Å; L310-K314 WeakPolarHBondContact O-CB 3.47Å; L310-K314 PolarHBondContact O-N 2.98Å |
| 311 | R | 96.8 | Very high | 96.2 | Very high | 132 Ų | 132 | 99 Ų | 99 | 50% | 0.498 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 175.5 | -170 | -178.6 | -61.1 | 136.1 | 3 | 111.7 | I307 Q308 E309 K314 E315 | I307-R311 WeakPolarHBondContact O-CB 3.45Å; I307-R311 PolarHBondContact O-N 3.48Å; Q308-R311 PolarHBondContact O-N 3.32Å; E309-R311 VanDerWaalsContact C-N 3.26Å; E309-R311 PolarHBondContact O-N 3.37Å; R311-K314 WeakPolarHBondContact O-CB 3.39Å; R311-K314 PolarHBondContact O-N 3.3Å; R311-E315 WeakPolarHBondContact O-CG 3.28Å; R311-E315 PolarHBondContact O-N 3.1Å |
| 312 | K | 96.8 | Very high | 96.1 | Very high | 134 Ų | 134 | 102.4 Ų | 102.4 | 58% | 0.583 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.5 | -44.8 | 175 | -71 | 174.5 | -177.4 | 174.2 | 0 | 111.8 | Q308 E309 K314 E315 I316 | Q308-K312 WeakPolarHBondContact O-CG 3.46Å; Q308-K312 PolarHBondContact O-N 3.42Å; E309-K312 WeakPolarHBondContact O-CB 3.25Å; E309-K312 PolarHBondContact O-N 3.25Å; E309-K312 VanDerWaalsContact O-N 3.14Å; K312-K314 VanDerWaalsContact C-N 3.34Å; K312-K314 PolarHBondContact O-N 2.89Å; K312-E315 PolarHBondContact O-N 2.89Å; K312-I316 WeakPolarHBondContact O-CG1 2.77Å; K312-I316 PolarHBondContact O-N 3.02Å |
| 313 | S | 95.7 | Very high | 95.9 | Very high | 57 Ų | 57 | 101 Ų | 101 | 40% | 0.399 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 176.3 | 174 | 0 | 0 | 0 | 0 | 111.7 | E309 L310 E315 I316 L317 | E309-S313 PolarHBondContact O-N 2.83Å; L310-S313 PolarHBondContact O-N 3.37Å; S313-E315 PolarHBondContact O-N 3.07Å; S313-I316 PolarHBondContact O-N 3.28Å; S313-L317 PolarHBondContact O-N 3.49Å |
| 314 | K | 96.6 | Very high | 95.8 | Very high | 124 Ų | 124 | 103.6 Ų | 103.6 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.7 | -47 | 173.2 | 178.6 | -177.1 | 168.9 | -178.3 | 0 | 111.5 | L310 R311 K312 I316 L317 E318 | L310-K314 WeakPolarHBondContact O-CB 3.47Å; L310-K314 PolarHBondContact O-N 2.98Å; R311-K314 WeakPolarHBondContact O-CB 3.39Å; R311-K314 PolarHBondContact O-N 3.3Å; K312-K314 VanDerWaalsContact C-N 3.34Å; K312-K314 PolarHBondContact O-N 2.89Å; K314-I316 VanDerWaalsContact C-N 3.33Å; K314-I316 PolarHBondContact O-N 3.41Å; K314-L317 PolarHBondContact O-N 2.65Å; K314-E318 WeakPolarHBondContact CE-OE1 3.15Å; K314-E318 HydrophobicContact CG-CG 4.39Å; K314-E318 IonicContact NZ-OE1 2.75Å; K314-E318 WeakPolarHBondContact O-CB 3.5Å; K314-E318 WeakPolarHBondContact O-CG 3.49Å; K314-E318 PolarHBondContact O-N 3.36Å |
| 315 | E | 96.1 | Very high | 95.7 | Very high | 111 Ų | 111 | 103.1 Ų | 103.1 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 177.6 | -75.7 | 170.8 | -169.6 | 0 | 0 | 112.4 | R311 K312 S313 A319 | R311-E315 WeakPolarHBondContact O-CG 3.28Å; R311-E315 PolarHBondContact O-N 3.1Å; K312-E315 PolarHBondContact O-N 2.89Å; S313-E315 PolarHBondContact O-N 3.07Å; E315-A319 WeakPolarHBondContact O-CB 3.4Å; E315-A319 PolarHBondContact O-N 2.91Å |
| 316 | I | 95.4 | Very high | 95.5 | Very high | 101 Ų | 101 | 101.5 Ų | 101.5 | 52% | 0.518 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -50.4 | 175.7 | -66.5 | 165.2 | 0 | 0 | 0 | 110.5 | K312 S313 K314 E318 A319 E320 | K312-I316 WeakPolarHBondContact O-CG1 2.77Å; K312-I316 PolarHBondContact O-N 3.02Å; S313-I316 PolarHBondContact O-N 3.28Å; K314-I316 VanDerWaalsContact C-N 3.33Å; K314-I316 PolarHBondContact O-N 3.41Å; I316-E318 VanDerWaalsContact C-N 3.31Å; I316-E318 PolarHBondContact O-N 2.91Å; I316-A319 CarbonylContact O-C 3.6Å; I316-A319 WeakPolarHBondContact O-CA 3.49Å; I316-A319 WeakPolarHBondContact O-CB 3.39Å; I316-A319 PolarHBondContact O-N 3.4Å; I316-E320 PolarHBondContact O-N 3.47Å |
| 317 | L | 94.9 | Very high | 95.4 | Very high | 100 Ų | 100 | 100.7 Ų | 100.7 | 52% | 0.524 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61 | -39.6 | 178.3 | -78.2 | 167.8 | 0 | 0 | 0 | 111.9 | S313 K314 A319 E320 L321 | S313-L317 PolarHBondContact O-N 3.49Å; K314-L317 PolarHBondContact O-N 2.65Å; L317-A319 VanDerWaalsContact C-N 3.32Å; L317-A319 PolarHBondContact O-N 2.9Å; L317-E320 PolarHBondContact O-N 3.49Å; L317-L321 VanDerWaalsContact O-CB 3.25Å; L317-L321 WeakPolarHBondContact O-CB 3.43Å; L317-L321 PolarHBondContact O-N 3.48Å |
| 318 | E | 95.2 | Very high | 95.3 | Very high | 87 Ų | 87 | 101.9 Ų | 101.9 | 41% | 0.407 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66 | -33 | 174 | -76.5 | 179.2 | 170.9 | 0 | 0 | 112.3 | K314 I316 R322 | K314-E318 WeakPolarHBondContact CE-OE1 3.15Å; K314-E318 HydrophobicContact CG-CG 4.39Å; K314-E318 IonicContact NZ-OE1 2.75Å; K314-E318 WeakPolarHBondContact O-CB 3.5Å; K314-E318 WeakPolarHBondContact O-CG 3.49Å; K314-E318 PolarHBondContact O-N 3.36Å; I316-E318 VanDerWaalsContact C-N 3.31Å; I316-E318 PolarHBondContact O-N 2.91Å; E318-R322 WeakPolarHBondContact O-CB 3.31Å; E318-R322 VanDerWaalsContact O-CG 3.3Å; E318-R322 WeakPolarHBondContact O-CG 3.48Å; E318-R322 PolarHBondContact O-N 3.3Å; E318-R322 VanDerWaalsContact O-N 3.11Å; E318-R322 PolarHBondContact O-NE 2.87Å; E318-R322 VanDerWaalsContact O-NE 3.14Å |
| 319 | A | 94.4 | Very high | 95.1 | Very high | 44 Ų | 44 | 104 Ų | 104 | 36% | 0.364 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.6 | -43.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E315 I316 L317 R322 A323 | E315-A319 WeakPolarHBondContact O-CB 3.4Å; E315-A319 PolarHBondContact O-N 2.91Å; I316-A319 CarbonylContact O-C 3.6Å; I316-A319 WeakPolarHBondContact O-CA 3.49Å; I316-A319 WeakPolarHBondContact O-CB 3.39Å; I316-A319 PolarHBondContact O-N 3.4Å; L317-A319 VanDerWaalsContact C-N 3.32Å; L317-A319 PolarHBondContact O-N 2.9Å; A319-R322 PolarHBondContact O-N 3.25Å; A319-A323 PolarHBondContact O-N 3.18Å |
| 320 | E | 94 | Very high | 95 | Very high | 106 Ų | 106 | 100.8 Ų | 100.8 | 50% | 0.495 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 174.9 | -74.5 | -179.5 | 178.8 | 0 | 0 | 111.8 | I316 L317 R322 A323 Q324 | I316-E320 PolarHBondContact O-N 3.47Å; L317-E320 PolarHBondContact O-N 3.49Å; E320-R322 VanDerWaalsContact C-N 3.34Å; E320-R322 PolarHBondContact O-N 3.35Å; E320-A323 WeakPolarHBondContact O-CB 3.47Å; E320-A323 PolarHBondContact O-N 3.47Å; E320-Q324 WeakPolarHBondContact O-CG 3.38Å; E320-Q324 PolarHBondContact O-N 2.93Å |
| 321 | L | 95.1 | Very high | 94.8 | Very high | 116 Ų | 116 | 100.7 Ų | 100.7 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.8 | -43.8 | 176.1 | -177.1 | 66.2 | 0 | 0 | 0 | 111.2 | L317 Q324 A325 | L317-L321 VanDerWaalsContact O-CB 3.25Å; L317-L321 WeakPolarHBondContact O-CB 3.43Å; L317-L321 PolarHBondContact O-N 3.48Å; L321-Q324 PolarHBondContact O-N 2.9Å; L321-A325 WeakPolarHBondContact O-CB 3.35Å; L321-A325 PolarHBondContact O-N 3.03Å |
| 322 | R | 94.7 | Very high | 94.7 | Very high | 165 Ų | 165 | 99.7 Ų | 99.7 | 62% | 0.623 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61 | -43.9 | 173.7 | -80.4 | -178.3 | -71.7 | 150.2 | -6.8 | 111.6 | E318 A319 E320 A325 T326 | E318-R322 WeakPolarHBondContact O-CB 3.31Å; E318-R322 VanDerWaalsContact O-CG 3.3Å; E318-R322 WeakPolarHBondContact O-CG 3.48Å; E318-R322 PolarHBondContact O-N 3.3Å; E318-R322 VanDerWaalsContact O-N 3.11Å; E318-R322 PolarHBondContact O-NE 2.87Å; E318-R322 VanDerWaalsContact O-NE 3.14Å; A319-R322 PolarHBondContact O-N 3.25Å; E320-R322 VanDerWaalsContact C-N 3.34Å; E320-R322 PolarHBondContact O-N 3.35Å; R322-A325 WeakPolarHBondContact O-CB 3.32Å; R322-A325 PolarHBondContact O-N 2.69Å; R322-T326 PolarHBondContact O-N 2.83Å; R322-T326 PolarHBondContact O-OG1 3.14Å; R322-T326 VanDerWaalsContact O-OG1 3.09Å |
| 323 | A | 94.3 | Very high | 94.5 | Very high | 56 Ų | 56 | 96.4 Ų | 96.4 | 46% | 0.463 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A319 E320 T326 V327 | A319-A323 PolarHBondContact O-N 3.18Å; E320-A323 WeakPolarHBondContact O-CB 3.47Å; E320-A323 PolarHBondContact O-N 3.47Å; A323-T326 WeakPolarHBondContact O-CB 3.35Å; A323-T326 PolarHBondContact O-N 3.04Å; A323-V327 WeakPolarHBondContact O-CG2 3.49Å; A323-V327 PolarHBondContact O-N 3.04Å |
| 324 | Q | 94.6 | Very high | 94.4 | Very high | 120 Ų | 120 | 97.3 Ų | 97.3 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62 | -41.6 | 174.4 | -74.7 | -175.9 | 3.7 | 0 | 0 | 112.2 | E320 L321 T326 V327 L328 | E320-Q324 WeakPolarHBondContact O-CG 3.38Å; E320-Q324 PolarHBondContact O-N 2.93Å; L321-Q324 PolarHBondContact O-N 2.9Å; Q324-T326 VanDerWaalsContact C-N 3.31Å; Q324-T326 PolarHBondContact O-N 3.04Å; Q324-V327 PolarHBondContact O-N 2.98Å; Q324-L328 WeakPolarHBondContact O-CB 3.33Å; Q324-L328 WeakPolarHBondContact O-CG 3.07Å; Q324-L328 PolarHBondContact O-N 3.4Å |
| 325 | A | 94.4 | Very high | 94.3 | Very high | 54 Ų | 54 | 95.8 Ų | 95.8 | 45% | 0.446 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.8 | -43.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L321 R322 L328 E329 | L321-A325 WeakPolarHBondContact O-CB 3.35Å; L321-A325 PolarHBondContact O-N 3.03Å; R322-A325 WeakPolarHBondContact O-CB 3.32Å; R322-A325 PolarHBondContact O-N 2.69Å; A325-L328 PolarHBondContact O-N 2.89Å; A325-E329 WeakPolarHBondContact O-CB 3.49Å; A325-E329 PolarHBondContact O-N 2.92Å |
| 326 | T | 94.6 | Very high | 94.1 | Very high | 81 Ų | 81 | 96.6 Ų | 96.6 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 174.6 | -52.4 | 0 | 0 | 0 | 0 | 112.5 | R322 A323 Q324 E329 T330 | R322-T326 PolarHBondContact O-N 2.83Å; R322-T326 PolarHBondContact O-OG1 3.14Å; R322-T326 VanDerWaalsContact O-OG1 3.09Å; A323-T326 WeakPolarHBondContact O-CB 3.35Å; A323-T326 PolarHBondContact O-N 3.04Å; Q324-T326 VanDerWaalsContact C-N 3.31Å; Q324-T326 PolarHBondContact O-N 3.04Å; T326-E329 PolarHBondContact O-N 3.46Å; T326-T330 WeakPolarHBondContact O-CB 3.37Å; T326-T330 PolarHBondContact O-N 2.93Å; T326-T330 PolarHBondContact O-OG1 3.39Å |
| 327 | V | 94.3 | Very high | 93.9 | Very high | 100 Ų | 100 | 97.4 Ų | 97.4 | 61% | 0.606 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.1 | -45.8 | 175.6 | 171.3 | 0 | 0 | 0 | 0 | 111 | A323 Q324 T330 L331 | A323-V327 WeakPolarHBondContact O-CG2 3.49Å; A323-V327 PolarHBondContact O-N 3.04Å; Q324-V327 PolarHBondContact O-N 2.98Å; V327-T330 PolarHBondContact O-N 2.96Å; V327-L331 WeakPolarHBondContact O-CB 3.39Å; V327-L331 PolarHBondContact O-N 2.99Å |
| 328 | L | 94 | Very high | 93.7 | Very high | 114 Ų | 114 | 96.8 Ų | 96.8 | 60% | 0.597 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.9 | -44.8 | 176.8 | -79.1 | 170.8 | 0 | 0 | 0 | 111.6 | Q324 A325 T330 L331 N332 | Q324-L328 WeakPolarHBondContact O-CB 3.33Å; Q324-L328 WeakPolarHBondContact O-CG 3.07Å; Q324-L328 PolarHBondContact O-N 3.4Å; A325-L328 PolarHBondContact O-N 2.89Å; L328-T330 VanDerWaalsContact C-N 3.34Å; L328-T330 PolarHBondContact O-N 3.42Å; L328-L331 PolarHBondContact O-N 3.45Å; L328-N332 VanDerWaalsContact O-CB 3.31Å; L328-N332 WeakPolarHBondContact O-CB 3.32Å; L328-N332 PolarHBondContact O-N 3.34Å |
| 329 | E | 93.4 | Very high | 93.5 | Very high | 133 Ų | 133 | 97.9 Ų | 97.9 | 62% | 0.621 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.8 | -42.3 | 176.4 | -169.8 | 169.6 | -161.3 | 0 | 0 | 111.4 | A325 T326 N332 T333 | A325-E329 WeakPolarHBondContact O-CB 3.49Å; A325-E329 PolarHBondContact O-N 2.92Å; T326-E329 PolarHBondContact O-N 3.46Å; E329-N332 PolarHBondContact O-N 2.86Å; E329-T333 WeakPolarHBondContact O-CB 3.35Å; E329-T333 PolarHBondContact O-N 3.16Å; E329-T333 PolarHBondContact O-OG1 3.08Å |
| 330 | T | 93.5 | Very high | 93.4 | Very high | 71 Ų | 71 | 103 Ų | 103 | 44% | 0.436 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 175.3 | -53 | 0 | 0 | 0 | 0 | 111.6 | T326 V327 L328 T333 N334 | T326-T330 WeakPolarHBondContact O-CB 3.37Å; T326-T330 PolarHBondContact O-N 2.93Å; T326-T330 PolarHBondContact O-OG1 3.39Å; V327-T330 PolarHBondContact O-N 2.96Å; L328-T330 VanDerWaalsContact C-N 3.34Å; L328-T330 PolarHBondContact O-N 3.42Å; T330-T333 WeakPolarHBondContact O-CB 3.29Å; T330-T333 PolarHBondContact O-N 3.44Å; T330-N334 VanDerWaalsContact O-CG 3.3Å; T330-N334 PolarHBondContact O-N 3.03Å |
| 331 | L | 92.9 | Very high | 93.2 | Very high | 109 Ų | 109 | 101.9 Ų | 101.9 | 57% | 0.571 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.1 | -43 | 177.8 | -175 | 69.6 | 0 | 0 | 0 | 111.4 | V327 L328 T333 N334 L335 | V327-L331 WeakPolarHBondContact O-CB 3.39Å; V327-L331 PolarHBondContact O-N 2.99Å; L328-L331 PolarHBondContact O-N 3.45Å; L331-T333 VanDerWaalsContact C-N 3.31Å; L331-T333 PolarHBondContact O-N 2.87Å; L331-N334 PolarHBondContact O-N 3.35Å; L331-L335 WeakPolarHBondContact O-CB 3.34Å; L331-L335 PolarHBondContact O-N 2.74Å |
| 332 | N | 94.6 | Very high | 93 | Very high | 110 Ų | 110 | 101.1 Ų | 101.1 | 59% | 0.588 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.1 | -41.3 | 176.1 | -168.2 | 44.5 | 0 | 0 | 0 | 111.2 | L328 E329 L335 F336 | L328-N332 VanDerWaalsContact O-CB 3.31Å; L328-N332 WeakPolarHBondContact O-CB 3.32Å; L328-N332 PolarHBondContact O-N 3.34Å; E329-N332 PolarHBondContact O-N 2.86Å; N332-L335 PolarHBondContact O-N 2.96Å; N332-F336 WeakPolarHBondContact O-CB 3.27Å; N332-F336 PolarHBondContact O-N 3.24Å |
| 333 | T | 92.6 | Very high | 92.7 | Very high | 66 Ų | 66 | 98.2 Ų | 98.2 | 41% | 0.405 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 174.6 | -50 | 0 | 0 | 0 | 0 | 111.3 | E329 T330 L331 F336 Q337 | E329-T333 WeakPolarHBondContact O-CB 3.35Å; E329-T333 PolarHBondContact O-N 3.16Å; E329-T333 PolarHBondContact O-OG1 3.08Å; T330-T333 WeakPolarHBondContact O-CB 3.29Å; T330-T333 PolarHBondContact O-N 3.44Å; L331-T333 VanDerWaalsContact C-N 3.31Å; L331-T333 PolarHBondContact O-N 2.87Å; T333-F336 PolarHBondContact O-N 2.85Å; T333-Q337 WeakPolarHBondContact O-CG 3.33Å; T333-Q337 PolarHBondContact O-N 2.9Å |
| 334 | N | 93.1 | Very high | 92.6 | Very high | 75 Ų | 75 | 101.2 Ų | 101.2 | 40% | 0.401 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 176.6 | -72.8 | -16.6 | 0 | 0 | 0 | 112.5 | T330 L331 Q337 C338 | T330-N334 VanDerWaalsContact O-CG 3.3Å; T330-N334 PolarHBondContact O-N 3.03Å; L331-N334 PolarHBondContact O-N 3.35Å; N334-Q337 PolarHBondContact O-N 3.49Å; N334-C338 WeakPolarHBondContact O-CB 3.4Å; N334-C338 PolarHBondContact O-N 3.23Å; N334-C338 PolarHBondContact O-SG 3.49Å; N334-C338 VanDerWaalsContact O-SG 3.33Å |
| 335 | L | 93.7 | Very high | 92.2 | Very high | 92 Ų | 92 | 99.7 Ų | 99.7 | 48% | 0.482 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 175.7 | -176.9 | 113.6 | 0 | 0 | 0 | 110.4 | L331 N332 Q337 C338 Q339 | L331-L335 WeakPolarHBondContact O-CB 3.34Å; L331-L335 PolarHBondContact O-N 2.74Å; N332-L335 PolarHBondContact O-N 2.96Å; L335-Q337 VanDerWaalsContact C-N 3.34Å; L335-Q337 PolarHBondContact O-N 2.91Å; L335-C338 PolarHBondContact O-N 2.99Å; L335-Q339 WeakPolarHBondContact O-CB 3.34Å; L335-Q339 WeakPolarHBondContact O-CG 3.43Å; L335-Q339 PolarHBondContact O-N 2.9Å |
| 336 | F | 93.3 | Very high | 92.1 | Very high | 129 Ų | 129 | 102.3 Ų | 102.3 | 57% | 0.566 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.5 | -43.4 | 175.1 | -179.5 | -99.7 | 0 | 0 | 0 | 112.1 | N332 T333 Q339 K340 | N332-F336 WeakPolarHBondContact O-CB 3.27Å; N332-F336 PolarHBondContact O-N 3.24Å; T333-F336 PolarHBondContact O-N 2.85Å; F336-Q339 PolarHBondContact O-N 3.43Å; F336-K340 WeakPolarHBondContact O-CB 3.33Å; F336-K340 PolarHBondContact O-N 3.4Å |
| 337 | Q | 91.1 | Very high | 91.8 | Very high | 117 Ų | 117 | 102 Ų | 102 | 55% | 0.547 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 174.1 | -73.2 | 179.6 | 15.5 | 0 | 0 | 112.2 | T333 N334 L335 Q339 K340 E341 | T333-Q337 WeakPolarHBondContact O-CG 3.33Å; T333-Q337 PolarHBondContact O-N 2.9Å; N334-Q337 PolarHBondContact O-N 3.49Å; L335-Q337 VanDerWaalsContact C-N 3.34Å; L335-Q337 PolarHBondContact O-N 2.91Å; Q337-Q339 PolarHBondContact O-N 3.36Å; Q337-K340 PolarHBondContact O-N 2.99Å; Q337-E341 PolarHBondContact O-N 2.99Å |
| 338 | C | 90 | Very high | 91.6 | Very high | 87 Ų | 87 | 100.1 Ų | 100.1 | 59% | 0.588 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62 | -41.6 | 176.8 | -73.9 | 0 | 0 | 0 | 0 | 112 | N334 L335 K340 E341 L342 | N334-C338 WeakPolarHBondContact O-CB 3.4Å; N334-C338 PolarHBondContact O-N 3.23Å; N334-C338 PolarHBondContact O-SG 3.49Å; N334-C338 VanDerWaalsContact O-SG 3.33Å; L335-C338 PolarHBondContact O-N 2.99Å; C338-K340 VanDerWaalsContact C-N 3.34Å; C338-K340 PolarHBondContact O-N 3.43Å; C338-E341 PolarHBondContact O-N 2.82Å; C338-L342 VanDerWaalsContact O-CB 3.3Å; C338-L342 WeakPolarHBondContact O-CB 3.48Å; C338-L342 PolarHBondContact O-N 2.84Å |
| 339 | Q | 92 | Very high | 91.2 | Very high | 111 Ų | 111 | 97.3 Ų | 97.3 | 52% | 0.519 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 174.8 | -77.8 | 177.5 | -16.2 | 0 | 0 | 111.3 | L335 F336 Q337 L342 E343 | L335-Q339 WeakPolarHBondContact O-CB 3.34Å; L335-Q339 WeakPolarHBondContact O-CG 3.43Å; L335-Q339 PolarHBondContact O-N 2.9Å; F336-Q339 PolarHBondContact O-N 3.43Å; Q337-Q339 PolarHBondContact O-N 3.36Å; Q339-L342 PolarHBondContact O-N 2.91Å; Q339-E343 PolarHBondContact O-N 3.28Å |
| 340 | K | 91.9 | Very high | 90.9 | Very high | 151 Ų | 151 | 93.4 Ų | 93.4 | 66% | 0.657 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.5 | -42.3 | 177.1 | -170.3 | -178.6 | 178.5 | -177.6 | 0 | 112.2 | F336 Q337 C338 E343 R344 | F336-K340 WeakPolarHBondContact O-CB 3.33Å; F336-K340 PolarHBondContact O-N 3.4Å; Q337-K340 PolarHBondContact O-N 2.99Å; C338-K340 VanDerWaalsContact C-N 3.34Å; C338-K340 PolarHBondContact O-N 3.43Å; K340-E343 PolarHBondContact O-N 3.15Å; K340-R344 PolarHBondContact O-N 3.27Å |
| 341 | E | 88.9 | Confident | 90.6 | Very high | 82 Ų | 82 | 94.9 Ų | 94.9 | 38% | 0.383 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.9 | -39.5 | 176.9 | -178.2 | 55.1 | -153.6 | 0 | 0 | 112 | Q337 C338 E343 R344 Q345 | Q337-E341 PolarHBondContact O-N 2.99Å; C338-E341 PolarHBondContact O-N 2.82Å; E341-E343 VanDerWaalsContact C-N 3.32Å; E341-E343 PolarHBondContact O-N 2.78Å; E341-R344 VanDerWaalsContact CD-NE 3.28Å; E341-R344 WeakPolarHBondContact O-CB 3.42Å; E341-R344 PolarHBondContact O-N 3.23Å; E341-R344 IonicContact OE1-CZ 3.33Å; E341-R344 VanDerWaalsContact OE1-CZ 3.22Å; E341-R344 IonicContact OE1-NE 3.13Å; E341-R344 PolarHBondContact OE1-NE 2.87Å; E341-R344 IonicContact OE1-NH2 3.91Å; E341-R344 PolarHBondContact OE1-NH2 3.33Å; E341-R344 IonicContact OE2-CZ 2.68Å; E341-R344 IonicContact OE2-NE 3.98Å; E341-R344 PolarHBondContact OE2-NE 2.89Å; E341-R344 IonicContact OE2-NH2 2.85Å; E341-Q345 WeakPolarHBondContact O-CG 3.42Å; E341-Q345 PolarHBondContact O-N 3.25Å; E341-Q345 PolarHBondContact OE1-NE2 3.3Å |
| 342 | L | 90.4 | Very high | 90.3 | Very high | 101 Ų | 101 | 93.8 Ų | 93.8 | 53% | 0.529 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 173.4 | -179.8 | 65.7 | 0 | 0 | 0 | 111.2 | C338 Q339 R344 Q345 K346 | C338-L342 VanDerWaalsContact O-CB 3.3Å; C338-L342 WeakPolarHBondContact O-CB 3.48Å; C338-L342 PolarHBondContact O-N 2.84Å; Q339-L342 PolarHBondContact O-N 2.91Å; L342-R344 VanDerWaalsContact C-N 3.34Å; L342-R344 PolarHBondContact O-N 2.98Å; L342-Q345 PolarHBondContact O-N 2.96Å; L342-K346 WeakPolarHBondContact O-CG 3.31Å; L342-K346 PolarHBondContact O-N 3.23Å |
| 343 | E | 89.9 | Confident | 89.8 | Confident | 103 Ų | 103 | 94.8 Ų | 94.8 | 48% | 0.481 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 177.5 | -157.6 | 58.7 | -147.1 | 0 | 0 | 111.4 | Q339 K340 E341 Q345 K346 T347 | Q339-E343 PolarHBondContact O-N 3.28Å; K340-E343 PolarHBondContact O-N 3.15Å; E341-E343 VanDerWaalsContact C-N 3.32Å; E341-E343 PolarHBondContact O-N 2.78Å; E343-Q345 PolarHBondContact O-N 3.41Å; E343-K346 PolarHBondContact O-N 3.43Å; E343-K346 IonicContact OE2-NZ 3.22Å; E343-K346 PolarHBondContact OE2-NZ 2.95Å; E343-T347 PolarHBondContact O-N 2.78Å; E343-T347 PolarHBondContact O-OG1 3.45Å |
| 344 | R | 91.1 | Very high | 89.5 | Confident | 119 Ų | 119 | 98.6 Ų | 98.6 | 45% | 0.449 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.8 | -47.2 | 171.3 | -167.5 | -169.6 | 76.7 | 82.9 | 6.1 | 111.6 | K340 E341 L342 T347 I348 | K340-R344 PolarHBondContact O-N 3.27Å; E341-R344 VanDerWaalsContact CD-NE 3.28Å; E341-R344 WeakPolarHBondContact O-CB 3.42Å; E341-R344 PolarHBondContact O-N 3.23Å; E341-R344 IonicContact OE1-CZ 3.33Å; E341-R344 VanDerWaalsContact OE1-CZ 3.22Å; E341-R344 IonicContact OE1-NE 3.13Å; E341-R344 PolarHBondContact OE1-NE 2.87Å; E341-R344 IonicContact OE1-NH2 3.91Å; E341-R344 PolarHBondContact OE1-NH2 3.33Å; E341-R344 IonicContact OE2-CZ 2.68Å; E341-R344 IonicContact OE2-NE 3.98Å; E341-R344 PolarHBondContact OE2-NE 2.89Å; E341-R344 IonicContact OE2-NH2 2.85Å; L342-R344 VanDerWaalsContact C-N 3.34Å; L342-R344 PolarHBondContact O-N 2.98Å; R344-T347 WeakPolarHBondContact O-CB 3.22Å; R344-T347 PolarHBondContact O-N 2.9Å; R344-I348 HydrophobicContact CG-CD1 4.47Å; R344-I348 WeakPolarHBondContact O-CG1 3.47Å; R344-I348 PolarHBondContact O-N 3.31Å |
| 345 | Q | 87.1 | Confident | 89.3 | Confident | 89 Ų | 89 | 99.7 Ų | 99.7 | 42% | 0.416 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 178.8 | -70 | -69.2 | 4.8 | 0 | 0 | 112.5 | E341 L342 E343 T347 I348 A349 | E341-Q345 WeakPolarHBondContact O-CG 3.42Å; E341-Q345 PolarHBondContact O-N 3.25Å; E341-Q345 PolarHBondContact OE1-NE2 3.3Å; L342-Q345 PolarHBondContact O-N 2.96Å; E343-Q345 PolarHBondContact O-N 3.41Å; Q345-T347 VanDerWaalsContact C-N 3.27Å; Q345-T347 PolarHBondContact O-N 3.49Å; Q345-I348 PolarHBondContact O-N 2.85Å; Q345-A349 WeakPolarHBondContact O-CB 3.49Å; Q345-A349 PolarHBondContact O-N 3.27Å |
| 346 | K | 90.9 | Very high | 88.9 | Confident | 109 Ų | 109 | 102.1 Ų | 102.1 | 47% | 0.474 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.3 | -42.5 | 170.9 | -75.5 | -179.4 | -170.4 | 163.5 | 0 | 111.5 | L342 E343 I348 A349 A350 | L342-K346 WeakPolarHBondContact O-CG 3.31Å; L342-K346 PolarHBondContact O-N 3.23Å; E343-K346 PolarHBondContact O-N 3.43Å; E343-K346 IonicContact OE2-NZ 3.22Å; E343-K346 PolarHBondContact OE2-NZ 2.95Å; K346-I348 VanDerWaalsContact C-N 3.32Å; K346-I348 PolarHBondContact O-N 3.46Å; K346-A349 PolarHBondContact O-N 2.9Å; K346-A350 VanDerWaalsContact O-CB 3.27Å; K346-A350 WeakPolarHBondContact O-CB 3.27Å; K346-A350 PolarHBondContact O-N 3.48Å |
| 347 | T | 88.8 | Confident | 88.6 | Confident | 74 Ų | 74 | 102.5 Ų | 102.5 | 45% | 0.454 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 178.2 | -39.3 | 0 | 0 | 0 | 0 | 111 | E343 R344 Q345 N351 | E343-T347 PolarHBondContact O-N 2.78Å; E343-T347 PolarHBondContact O-OG1 3.45Å; R344-T347 WeakPolarHBondContact O-CB 3.22Å; R344-T347 PolarHBondContact O-N 2.9Å; Q345-T347 VanDerWaalsContact C-N 3.27Å; Q345-T347 PolarHBondContact O-N 3.49Å; T347-N351 WeakPolarHBondContact O-CB 3.46Å; T347-N351 PolarHBondContact O-N 2.85Å; T347-N351 PolarHBondContact O-ND2 2.9Å |
| 348 | I | 89.5 | Confident | 88.2 | Confident | 61 Ų | 61 | 100.6 Ų | 100.6 | 31% | 0.313 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.8 | -46.5 | 175.9 | -68.9 | 167.8 | 0 | 0 | 0 | 111.3 | R344 Q345 K346 A350 N351 L352 | R344-I348 HydrophobicContact CG-CD1 4.47Å; R344-I348 WeakPolarHBondContact O-CG1 3.47Å; R344-I348 PolarHBondContact O-N 3.31Å; Q345-I348 PolarHBondContact O-N 2.85Å; K346-I348 VanDerWaalsContact C-N 3.32Å; K346-I348 PolarHBondContact O-N 3.46Å; I348-A350 PolarHBondContact O-N 2.83Å; I348-N351 WeakPolarHBondContact O-CB 3.2Å; I348-N351 PolarHBondContact O-N 2.91Å; I348-L352 HydrophobicContact CG2-CD1 4.16Å; I348-L352 WeakPolarHBondContact O-CG 3.36Å; I348-L352 PolarHBondContact O-N 2.87Å |
| 349 | A | 86.4 | Confident | 88 | Confident | 54 Ų | 54 | 102.1 Ų | 102.1 | 45% | 0.446 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q345 K346 N351 L352 E353 | Q345-A349 WeakPolarHBondContact O-CB 3.49Å; Q345-A349 PolarHBondContact O-N 3.27Å; K346-A349 PolarHBondContact O-N 2.9Å; A349-N351 VanDerWaalsContact C-N 3.31Å; A349-N351 PolarHBondContact O-N 3.03Å; A349-L352 PolarHBondContact O-N 2.91Å; A349-L352 VanDerWaalsContact O-N 3.16Å; A349-E353 WeakPolarHBondContact O-CB 3.38Å; A349-E353 PolarHBondContact O-N 3.2Å |
| 350 | A | 87.1 | Confident | 87.6 | Confident | 51 Ų | 51 | 101.7 Ų | 101.7 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.9 | -38.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | K346 I348 E353 K354 | K346-A350 VanDerWaalsContact O-CB 3.27Å; K346-A350 WeakPolarHBondContact O-CB 3.27Å; K346-A350 PolarHBondContact O-N 3.48Å; I348-A350 PolarHBondContact O-N 2.83Å; A350-E353 PolarHBondContact O-N 3.34Å; A350-K354 WeakPolarHBondContact O-CB 3.29Å; A350-K354 PolarHBondContact O-N 3.49Å |
| 351 | N | 86.9 | Confident | 87 | Confident | 102 Ų | 102 | 96.8 Ų | 96.8 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 174.2 | -73 | -24.9 | 0 | 0 | 0 | 112.3 | T347 I348 A349 K354 L355 | T347-N351 WeakPolarHBondContact O-CB 3.46Å; T347-N351 PolarHBondContact O-N 2.85Å; T347-N351 PolarHBondContact O-ND2 2.9Å; I348-N351 WeakPolarHBondContact O-CB 3.2Å; I348-N351 PolarHBondContact O-N 2.91Å; A349-N351 VanDerWaalsContact C-N 3.31Å; A349-N351 PolarHBondContact O-N 3.03Å; N351-K354 PolarHBondContact O-N 2.84Å; N351-L355 WeakPolarHBondContact O-CB 3.36Å; N351-L355 PolarHBondContact O-N 2.82Å |
| 352 | L | 87.8 | Confident | 86.7 | Confident | 87 Ų | 87 | 98.1 Ų | 98.1 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.4 | -42 | 175 | -74.6 | 170.1 | 0 | 0 | 0 | 111.7 | I348 A349 K354 L355 F356 | I348-L352 HydrophobicContact CG2-CD1 4.16Å; I348-L352 WeakPolarHBondContact O-CG 3.36Å; I348-L352 PolarHBondContact O-N 2.87Å; A349-L352 PolarHBondContact O-N 2.91Å; A349-L352 VanDerWaalsContact O-N 3.16Å; L352-K354 VanDerWaalsContact C-N 3.32Å; L352-K354 PolarHBondContact O-N 2.86Å; L352-L355 HydrophobicContact CD2-CD2 4.49Å; L352-L355 WeakPolarHBondContact O-CB 3.4Å; L352-L355 PolarHBondContact O-N 3.48Å; L352-L355 VanDerWaalsContact O-N 3.17Å; L352-F356 WeakPolarHBondContact O-CD2 3.19Å; L352-F356 PolarHBondContact O-N 3.47Å |
| 353 | E | 83.5 | Confident | 86.2 | Confident | 130 Ų | 130 | 95.5 Ų | 95.5 | 61% | 0.607 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.7 | -43.1 | 175.1 | -173 | 167.3 | -157.7 | 0 | 0 | 111 | A349 A350 L355 F356 Q357 | A349-E353 WeakPolarHBondContact O-CB 3.38Å; A349-E353 PolarHBondContact O-N 3.2Å; A350-E353 PolarHBondContact O-N 3.34Å; E353-L355 VanDerWaalsContact C-N 3.35Å; E353-L355 PolarHBondContact O-N 3.13Å; E353-F356 PolarHBondContact O-N 3.37Å; E353-Q357 WeakPolarHBondContact O-CB 3.22Å; E353-Q357 VanDerWaalsContact O-CG 3.28Å; E353-Q357 WeakPolarHBondContact O-CG 3.36Å; E353-Q357 PolarHBondContact O-N 3.22Å |
| 354 | K | 86 | Confident | 85.6 | Confident | 147 Ų | 147 | 96.4 Ų | 96.4 | 64% | 0.639 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.8 | -39.3 | 173.4 | -168.2 | 177.4 | -177.4 | 179.6 | 0 | 112.5 | A350 N351 L352 T358 | A350-K354 WeakPolarHBondContact O-CB 3.29Å; A350-K354 PolarHBondContact O-N 3.49Å; N351-K354 PolarHBondContact O-N 2.84Å; L352-K354 VanDerWaalsContact C-N 3.32Å; L352-K354 PolarHBondContact O-N 2.86Å; K354-T358 WeakPolarHBondContact O-CB 3.25Å; K354-T358 PolarHBondContact O-N 2.95Å; K354-T358 PolarHBondContact O-OG1 3.41Å |
| 355 | L | 88.4 | Confident | 85 | Confident | 98 Ų | 98 | 95.9 Ų | 95.9 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 174.7 | -176.8 | 77.2 | 0 | 0 | 0 | 111.1 | N351 L352 E353 T358 K359 | N351-L355 WeakPolarHBondContact O-CB 3.36Å; N351-L355 PolarHBondContact O-N 2.82Å; L352-L355 HydrophobicContact CD2-CD2 4.49Å; L352-L355 WeakPolarHBondContact O-CB 3.4Å; L352-L355 PolarHBondContact O-N 3.48Å; L352-L355 VanDerWaalsContact O-N 3.17Å; E353-L355 VanDerWaalsContact C-N 3.35Å; E353-L355 PolarHBondContact O-N 3.13Å; L355-T358 WeakPolarHBondContact O-CB 3.28Å; L355-T358 PolarHBondContact O-N 2.94Å; L355-K359 PolarHBondContact O-N 3.13Å |
| 356 | F | 86.2 | Confident | 84.7 | Confident | 142 Ų | 142 | 98.6 Ų | 98.6 | 62% | 0.623 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62 | -46.8 | 176.6 | -79.3 | -58.7 | 0 | 0 | 0 | 111.6 | L352 E353 T358 K359 L360 | L352-F356 WeakPolarHBondContact O-CD2 3.19Å; L352-F356 PolarHBondContact O-N 3.47Å; E353-F356 PolarHBondContact O-N 3.37Å; F356-T358 VanDerWaalsContact C-N 3.28Å; F356-T358 PolarHBondContact O-N 3.46Å; F356-K359 PolarHBondContact O-N 2.96Å; F356-L360 VanDerWaalsContact O-CB 3.28Å; F356-L360 WeakPolarHBondContact O-CB 3.38Å; F356-L360 PolarHBondContact O-N 3.37Å |
| 357 | Q | 87 | Confident | 84.2 | Confident | 137 Ų | 137 | 99.4 Ų | 99.4 | 64% | 0.64 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -54.7 | -44 | 173.1 | -73.9 | -108.4 | -5.6 | 0 | 0 | 111.9 | E353 L360 A361 | E353-Q357 WeakPolarHBondContact O-CB 3.22Å; E353-Q357 VanDerWaalsContact O-CG 3.28Å; E353-Q357 WeakPolarHBondContact O-CG 3.36Å; E353-Q357 PolarHBondContact O-N 3.22Å; Q357-L360 PolarHBondContact O-N 2.83Å; Q357-A361 WeakPolarHBondContact O-CB 3.37Å; Q357-A361 PolarHBondContact O-N 3.42Å |
| 358 | T | 83.2 | Confident | 83.6 | Confident | 78 Ų | 78 | 102 Ų | 102 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 178 | -52.3 | 0 | 0 | 0 | 0 | 111.8 | K354 L355 F356 L360 A361 E362 | K354-T358 WeakPolarHBondContact O-CB 3.25Å; K354-T358 PolarHBondContact O-N 2.95Å; K354-T358 PolarHBondContact O-OG1 3.41Å; L355-T358 WeakPolarHBondContact O-CB 3.28Å; L355-T358 PolarHBondContact O-N 2.94Å; F356-T358 VanDerWaalsContact C-N 3.28Å; F356-T358 PolarHBondContact O-N 3.46Å; T358-L360 VanDerWaalsContact C-N 3.33Å; T358-A361 PolarHBondContact O-N 3.3Å; T358-E362 PolarHBondContact O-N 2.89Å |
| 359 | K | 84 | Confident | 82.9 | Confident | 118 Ų | 118 | 106.7 Ų | 106.7 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.4 | -35.8 | 177.4 | -80.3 | -74.2 | 166.6 | -154.2 | 0 | 112.6 | L355 F356 E362 A363 | L355-K359 PolarHBondContact O-N 3.13Å; F356-K359 PolarHBondContact O-N 2.96Å; K359-E362 IonicContact NZ-OE2 2.63Å; K359-E362 PolarHBondContact NZ-OE2 3.46Å; K359-E362 PolarHBondContact O-N 2.86Å; K359-A363 WeakPolarHBondContact O-CB 3.48Å; K359-A363 PolarHBondContact O-N 3.47Å |
| 360 | L | 84.5 | Confident | 82.4 | Confident | 102 Ų | 102 | 108.8 Ų | 108.8 | 53% | 0.534 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.2 | -44.1 | 176.6 | -153 | 145.9 | 0 | 0 | 0 | 110 | F356 Q357 T358 E362 A363 E364 | F356-L360 VanDerWaalsContact O-CB 3.28Å; F356-L360 WeakPolarHBondContact O-CB 3.38Å; F356-L360 PolarHBondContact O-N 3.37Å; Q357-L360 PolarHBondContact O-N 2.83Å; T358-L360 VanDerWaalsContact C-N 3.33Å; L360-E362 PolarHBondContact O-N 2.72Å; L360-A363 PolarHBondContact O-N 3.17Å; L360-E364 HydrophobicContact CD2-CG 4.25Å; L360-E364 WeakPolarHBondContact CD2-OE1 3.39Å; L360-E364 WeakPolarHBondContact O-CG 3.28Å; L360-E364 PolarHBondContact O-N 2.85Å |
| 361 | A | 80.3 | Confident | 81.7 | Confident | 48 Ų | 48 | 111.8 Ų | 111.8 | 40% | 0.397 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q357 T358 A363 E364 E365 | Q357-A361 WeakPolarHBondContact O-CB 3.37Å; Q357-A361 PolarHBondContact O-N 3.42Å; T358-A361 PolarHBondContact O-N 3.3Å; A361-A363 VanDerWaalsContact C-N 3.34Å; A361-A363 PolarHBondContact O-N 3.27Å; A361-E364 PolarHBondContact O-N 2.9Å; A361-E365 PolarHBondContact O-N 2.92Å |
| 362 | E | 80.7 | Confident | 81.1 | Confident | 111 Ų | 111 | 112.8 Ų | 112.8 | 52% | 0.519 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 172.1 | -96.3 | -174.3 | 160.7 | 0 | 0 | 112 | T358 K359 L360 K366 | T358-E362 PolarHBondContact O-N 2.89Å; K359-E362 IonicContact NZ-OE2 2.63Å; K359-E362 PolarHBondContact NZ-OE2 3.46Å; K359-E362 PolarHBondContact O-N 2.86Å; L360-E362 PolarHBondContact O-N 2.72Å; E362-K366 WeakPolarHBondContact O-CB 3.41Å; E362-K366 PolarHBondContact O-N 3.14Å |
| 363 | A | 79.9 | Confident | 80.3 | Confident | 46 Ų | 46 | 110.9 Ų | 110.9 | 38% | 0.38 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.9 | -40.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K359 L360 A361 K366 H367 | K359-A363 WeakPolarHBondContact O-CB 3.48Å; K359-A363 PolarHBondContact O-N 3.47Å; L360-A363 PolarHBondContact O-N 3.17Å; A361-A363 VanDerWaalsContact C-N 3.34Å; A361-A363 PolarHBondContact O-N 3.27Å; A363-K366 PolarHBondContact O-N 3.4Å; A363-H367 PolarHBondContact O-CD2 3.24Å; A363-H367 VanDerWaalsContact O-CD2 3.28Å; A363-H367 PolarHBondContact O-N 2.87Å |
| 364 | E | 77.6 | Confident | 79.7 | Confident | 121 Ų | 121 | 108 Ų | 108 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.1 | -47.2 | 173.9 | -76.9 | 179.2 | 169.4 | 0 | 0 | 111.7 | L360 A361 K366 H367 K368 | L360-E364 HydrophobicContact CD2-CG 4.25Å; L360-E364 WeakPolarHBondContact CD2-OE1 3.39Å; L360-E364 WeakPolarHBondContact O-CG 3.28Å; L360-E364 PolarHBondContact O-N 2.85Å; A361-E364 PolarHBondContact O-N 2.9Å; E364-K366 VanDerWaalsContact C-N 3.34Å; E364-K366 PolarHBondContact O-N 3.37Å; E364-H367 PolarHBondContact O-N 2.82Å; E364-K368 WeakPolarHBondContact O-CB 3.48Å; E364-K368 PolarHBondContact O-N 3.31Å |
| 365 | E | 79.7 | Confident | 79 | Confident | 108 Ų | 108 | 104.7 Ų | 104.7 | 51% | 0.505 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.9 | -36.5 | 176.4 | -85.8 | -61.8 | 143.7 | 0 | 0 | 112.3 | A361 K368 Y369 | A361-E365 PolarHBondContact O-N 2.92Å; E365-K368 WeakPolarHBondContact O-CB 3.3Å; E365-K368 PolarHBondContact O-N 2.87Å; E365-K368 WeakPolarHBondContact OE1-CD 3.42Å; E365-K368 IonicContact OE1-NZ 2.73Å; E365-K368 PolarHBondContact OE1-NZ 2.96Å; E365-Y369 WeakPolarHBondContact O-CB 3.44Å; E365-Y369 PolarHBondContact O-N 3.47Å |
| 366 | K | 81 | Confident | 78.2 | Confident | 147 Ų | 147 | 105.2 Ų | 105.2 | 64% | 0.639 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.8 | -42.2 | 173.4 | -169.5 | 178.4 | -178.5 | -178.9 | 0 | 112.2 | E362 A363 E364 K368 Y369 N370 | E362-K366 WeakPolarHBondContact O-CB 3.41Å; E362-K366 PolarHBondContact O-N 3.14Å; A363-K366 PolarHBondContact O-N 3.4Å; E364-K366 VanDerWaalsContact C-N 3.34Å; E364-K366 PolarHBondContact O-N 3.37Å; K366-K368 VanDerWaalsContact C-N 3.35Å; K366-Y369 PolarHBondContact O-N 3.21Å; K366-N370 WeakPolarHBondContact O-CB 3.34Å; K366-N370 PolarHBondContact O-N 3.49Å |
| 367 | H | 79.1 | Confident | 77.4 | Confident | 126 Ų | 126 | 104.2 Ų | 104.2 | 58% | 0.583 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.2 | -42 | 174.2 | -86.7 | -64 | 0 | 0 | 0 | 111.8 | A363 E364 Y369 N370 I371 | A363-H367 PolarHBondContact O-CD2 3.24Å; A363-H367 VanDerWaalsContact O-CD2 3.28Å; A363-H367 PolarHBondContact O-N 2.87Å; E364-H367 PolarHBondContact O-N 2.82Å; H367-Y369 PolarHBondContact O-N 3.37Å; H367-N370 PolarHBondContact O-N 2.93Å; H367-I371 WeakPolarHBondContact O-CG1 3.34Å; H367-I371 PolarHBondContact O-N 3.39Å |
| 368 | K | 77.1 | Confident | 76.5 | Confident | 127 Ų | 127 | 101.6 Ų | 101.6 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.3 | -42 | 177.4 | -160.5 | 179.8 | 179.3 | -176.7 | 0 | 112.1 | E364 E365 K366 I371 K372 | E364-K368 WeakPolarHBondContact O-CB 3.48Å; E364-K368 PolarHBondContact O-N 3.31Å; E365-K368 WeakPolarHBondContact O-CB 3.3Å; E365-K368 PolarHBondContact O-N 2.87Å; E365-K368 WeakPolarHBondContact OE1-CD 3.42Å; E365-K368 IonicContact OE1-NZ 2.73Å; E365-K368 PolarHBondContact OE1-NZ 2.96Å; K366-K368 VanDerWaalsContact C-N 3.35Å; K368-I371 PolarHBondContact O-N 3.4Å; K368-K372 WeakPolarHBondContact O-CB 3.43Å; K368-K372 PolarHBondContact O-N 3.13Å; K368-K372 VanDerWaalsContact O-N 3.16Å |
| 369 | Y | 74.3 | Confident | 76 | Confident | 160 Ų | 160 | 102.9 Ų | 102.9 | 63% | 0.627 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.4 | -48.8 | 173.3 | -172.7 | -94.7 | 0 | 0 | 0 | 111.7 | E365 K366 H367 I371 K372 T373 | E365-Y369 WeakPolarHBondContact O-CB 3.44Å; E365-Y369 PolarHBondContact O-N 3.47Å; K366-Y369 PolarHBondContact O-N 3.21Å; H367-Y369 PolarHBondContact O-N 3.37Å; Y369-I371 VanDerWaalsContact C-N 3.27Å; Y369-I371 PolarHBondContact O-N 3.46Å; Y369-K372 PolarHBondContact O-N 2.9Å; Y369-K372 VanDerWaalsContact O-N 3.08Å; Y369-T373 PolarHBondContact O-N 3.27Å; Y369-T373 PolarHBondContact O-OG1 3.44Å; Y369-T373 VanDerWaalsContact O-OG1 3.07Å |
| 370 | N | 76.7 | Confident | 75.4 | Confident | 98 Ų | 98 | 101.5 Ų | 101.5 | 52% | 0.524 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.5 | -27.6 | 178.7 | -93.8 | 14.2 | 0 | 0 | 0 | 114.3 | K366 H367 P374 | K366-N370 WeakPolarHBondContact O-CB 3.34Å; K366-N370 PolarHBondContact O-N 3.49Å; H367-N370 PolarHBondContact O-N 2.93Å; N370-P374 WeakPolarHBondContact O-CD 3.19Å; N370-P374 VanDerWaalsContact O-CG 3.23Å; N370-P374 WeakPolarHBondContact O-CG 3.45Å |
| 371 | I | 72.2 | Confident | 74.7 | Confident | 114 Ų | 114 | 102.5 Ų | 102.5 | 59% | 0.585 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -78.4 | -35.1 | 174.6 | -69.1 | 166.5 | 0 | 0 | 0 | 110.8 | H367 K368 Y369 P374 T375 | H367-I371 WeakPolarHBondContact O-CG1 3.34Å; H367-I371 PolarHBondContact O-N 3.39Å; K368-I371 PolarHBondContact O-N 3.4Å; Y369-I371 VanDerWaalsContact C-N 3.27Å; Y369-I371 PolarHBondContact O-N 3.46Å; I371-P374 WeakPolarHBondContact O-CD 3.31Å; I371-T375 WeakPolarHBondContact O-CB 3.11Å; I371-T375 PolarHBondContact O-N 2.94Å; I371-T375 PolarHBondContact O-OG1 3.04Å |
| 372 | K | 73.6 | Confident | 74.1 | Confident | 124 Ų | 124 | 108.3 Ų | 108.3 | 54% | 0.539 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.5 | -44.9 | -175.1 | -169.8 | 173.6 | 174.8 | -179.2 | 0 | 112.6 | K368 Y369 T375 E376 | K368-K372 WeakPolarHBondContact O-CB 3.43Å; K368-K372 PolarHBondContact O-N 3.13Å; K368-K372 VanDerWaalsContact O-N 3.16Å; Y369-K372 PolarHBondContact O-N 2.9Å; Y369-K372 VanDerWaalsContact O-N 3.08Å; K372-T375 WeakPolarHBondContact O-CB 3.4Å; K372-T375 PolarHBondContact O-N 2.79Å; K372-E376 WeakPolarHBondContact CE-OE1 3.21Å; K372-E376 IonicContact NZ-OE1 3.55Å; K372-E376 PolarHBondContact O-N 2.92Å |
| 373 | T | 71.7 | Confident | 73.3 | Confident | 47 Ų | 47 | 110.2 Ų | 110.2 | 29% | 0.288 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.6 | -49.9 | -176.1 | -31.7 | 0 | 0 | 0 | 0 | 113.5 | Y369 T375 E376 E377 | Y369-T373 PolarHBondContact O-N 3.27Å; Y369-T373 PolarHBondContact O-OG1 3.44Å; Y369-T373 VanDerWaalsContact O-OG1 3.07Å; T373-T375 VanDerWaalsContact C-N 3.28Å; T373-T375 PolarHBondContact O-N 3.01Å; T373-E376 PolarHBondContact O-N 3.05Å; T373-E377 WeakPolarHBondContact O-CG 3.11Å; T373-E377 PolarHBondContact O-N 2.74Å; T373-E377 VanDerWaalsContact O-N 3.1Å |
| 374 | P | 70.1 | Confident | 72.3 | Confident | 69 Ų | 69 | 115 Ų | 115 | 45% | 0.448 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.9 | -29.3 | 178.2 | -17.2 | 31 | 0 | 0 | 0 | 112.6 | N370 I371 N378 | N370-P374 WeakPolarHBondContact O-CD 3.19Å; N370-P374 VanDerWaalsContact O-CG 3.23Å; N370-P374 WeakPolarHBondContact O-CG 3.45Å; I371-P374 WeakPolarHBondContact O-CD 3.31Å; P374-N378 WeakPolarHBondContact O-CB 3.49Å; P374-N378 PolarHBondContact O-N 2.84Å |
| 375 | T | 71.2 | Confident | 71.4 | Confident | 78 Ų | 78 | 115.9 Ų | 115.9 | 48% | 0.479 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.2 | -40.4 | 177.9 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | I371 K372 T373 N379 | I371-T375 WeakPolarHBondContact O-CB 3.11Å; I371-T375 PolarHBondContact O-N 2.94Å; I371-T375 PolarHBondContact O-OG1 3.04Å; K372-T375 WeakPolarHBondContact O-CB 3.4Å; K372-T375 PolarHBondContact O-N 2.79Å; T373-T375 VanDerWaalsContact C-N 3.28Å; T373-T375 PolarHBondContact O-N 3.01Å; T375-N379 PolarHBondContact O-N 2.88Å |
| 376 | E | 72.8 | Confident | 70.5 | Confident | 108 Ų | 108 | 115.9 Ų | 115.9 | 51% | 0.505 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70.3 | -39.8 | 176.3 | -74.4 | 170.1 | 171.6 | 0 | 0 | 111.9 | K372 T373 N379 C380 | K372-E376 WeakPolarHBondContact CE-OE1 3.21Å; K372-E376 IonicContact NZ-OE1 3.55Å; K372-E376 PolarHBondContact O-N 2.92Å; T373-E376 PolarHBondContact O-N 3.05Å; E376-N379 PolarHBondContact O-N 2.83Å; E376-C380 PolarHBondContact O-N 3.21Å |
| 377 | E | 68 | Low | 69.3 | Low | 121 Ų | 121 | 114.9 Ų | 114.9 | 57% | 0.565 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.2 | -40.8 | 175.9 | -71.7 | 173.7 | 178.6 | 0 | 0 | 112.8 | T373 N379 C380 L381 | T373-E377 WeakPolarHBondContact O-CG 3.11Å; T373-E377 PolarHBondContact O-N 2.74Å; T373-E377 VanDerWaalsContact O-N 3.1Å; E377-N379 VanDerWaalsContact C-N 3.34Å; E377-N379 PolarHBondContact O-N 3.34Å; E377-C380 PolarHBondContact O-N 3.05Å; E377-L381 PolarHBondContact O-N 3.48Å |
| 378 | N | 69.5 | Low | 67.9 | Low | 82 Ų | 82 | 114.6 Ų | 114.6 | 44% | 0.439 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.8 | -37.6 | 177.3 | -154.3 | -76.6 | 0 | 0 | 0 | 112.1 | P374 L381 R382 | P374-N378 WeakPolarHBondContact O-CB 3.49Å; P374-N378 PolarHBondContact O-N 2.84Å; N378-L381 PolarHBondContact O-N 3.34Å; N378-R382 WeakPolarHBondContact O-CG 3.32Å; N378-R382 PolarHBondContact O-N 2.84Å; N378-R382 VanDerWaalsContact O-N 3.14Å; N378-R382 PolarHBondContact OD1-NE 3.08Å |
| 379 | N | 73 | Confident | 66.6 | Low | 105 Ų | 105 | 114.7 Ų | 114.7 | 56% | 0.561 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.8 | -38 | 176 | -91.7 | -24 | 0 | 0 | 0 | 112.4 | T375 E376 E377 R382 Q383 | T375-N379 PolarHBondContact O-N 2.88Å; E376-N379 PolarHBondContact O-N 2.83Å; E377-N379 VanDerWaalsContact C-N 3.34Å; E377-N379 PolarHBondContact O-N 3.34Å; N379-R382 PolarHBondContact O-N 2.86Å; N379-Q383 PolarHBondContact O-N 2.93Å |
| 380 | C | 70.1 | Confident | 65 | Low | 90 Ų | 90 | 118.3 Ų | 118.3 | 61% | 0.608 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.3 | -42.5 | 176.9 | -116.2 | 0 | 0 | 0 | 0 | 112.3 | E376 E377 R382 Q383 M384 | E376-C380 PolarHBondContact O-N 3.21Å; E377-C380 PolarHBondContact O-N 3.05Å; C380-R382 VanDerWaalsContact C-N 3.35Å; C380-R382 PolarHBondContact O-N 2.7Å; C380-Q383 PolarHBondContact O-N 3.34Å; C380-M384 PolarHBondContact O-N 2.86Å |
| 381 | L | 69.9 | Low | 63.2 | Low | 122 Ų | 122 | 122.5 Ų | 122.5 | 64% | 0.639 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.8 | -37.5 | 177.7 | -71.5 | 168.1 | 0 | 0 | 0 | 112.5 | E377 N378 Q383 M384 | E377-L381 PolarHBondContact O-N 3.48Å; N378-L381 PolarHBondContact O-N 3.34Å; L381-Q383 VanDerWaalsContact C-N 3.26Å; L381-Q383 PolarHBondContact O-N 3.27Å; L381-M384 PolarHBondContact O-N 3.09Å |
| 382 | R | 68.4 | Low | 61.7 | Low | 171 Ų | 171 | 125.7 Ų | 125.7 | 65% | 0.645 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -66.3 | -24.7 | 176.6 | -75.8 | 175.9 | 177.1 | -96.8 | 0.1 | 113.6 | N378 N379 C380 T386 | N378-R382 WeakPolarHBondContact O-CG 3.32Å; N378-R382 PolarHBondContact O-N 2.84Å; N378-R382 VanDerWaalsContact O-N 3.14Å; N378-R382 PolarHBondContact OD1-NE 3.08Å; N379-R382 PolarHBondContact O-N 2.86Å; C380-R382 VanDerWaalsContact C-N 3.35Å; C380-R382 PolarHBondContact O-N 2.7Å; R382-T386 PolarHBondContact O-OG1 2.68Å; R382-T386 VanDerWaalsContact O-OG1 3.05Å |
| 383 | Q | 62.8 | Low | 59.9 | Low | 150 Ų | 150 | 125.9 Ų | 125.9 | 70% | 0.701 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -83.4 | -24.1 | -179.2 | -139.3 | 170.3 | 24.9 | 0 | 0 | 112.7 | N379 C380 L381 | N379-Q383 PolarHBondContact O-N 2.93Å; C380-Q383 PolarHBondContact O-N 3.34Å; L381-Q383 VanDerWaalsContact C-N 3.26Å; L381-Q383 PolarHBondContact O-N 3.27Å |
| 384 | M | 59.2 | Low | 57.6 | Low | 147 Ų | 147 | 128.5 Ų | 128.5 | 72% | 0.724 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -87.8 | -19.7 | -174.5 | -135.8 | -154.3 | 62.5 | 0 | 0 | 114.2 | C380 L381 T386 | C380-M384 PolarHBondContact O-N 2.86Å; L381-M384 PolarHBondContact O-N 3.09Å; M384-T386 VanDerWaalsContact C-N 3.32Å |
| 385 | L | 59.7 | Low | 55.7 | Low | 140 Ų | 140 | 133.3 Ų | 133.3 | 73% | 0.733 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -76 | -17.2 | 175.4 | -97.7 | 144 | 0 | 0 | 0 | 113.3 | ||
| 386 | T | 60.4 | Low | 53.7 | Low | 108 Ų | 108 | 135.9 Ų | 135.9 | 66% | 0.663 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -93 | -6.6 | -164.3 | -16.7 | 0 | 0 | 0 | 0 | 115.2 | R382 M384 | R382-T386 PolarHBondContact O-OG1 2.68Å; R382-T386 VanDerWaalsContact O-OG1 3.05Å; M384-T386 VanDerWaalsContact C-N 3.32Å |
| 387 | T | 56.2 | Low | 51.6 | Low | 126 Ų | 126 | 135.3 Ų | 135.3 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -119.6 | 3.5 | -171.1 | 38.3 | 0 | 0 | 0 | 0 | 115.8 | ||
| 388 | T | 50 | Low | 49.8 | Very low | 120 Ų | 120 | 137 Ų | 137 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -104.4 | 6.4 | -176.4 | 36.5 | 0 | 0 | 0 | 0 | 116.7 | ||
| 389 | T | 47.9 | Very low | 48 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | trans | -137.1 | 108 | 178 | 34.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 390 | Y | 40.8 | Very low | 46 | Very low | 235 Ų | 235 | 141.1 Ų | 141.1 | 92% | 0.922 | 74% | 0.743 | S | S | * | * | trans | -104.3 | 151.2 | 160.5 | -120.1 | -97.4 | 0 | 0 | 0 | 107 | ||||
| 391 | E | 40.6 | Very low | 43.8 | Very low | 186 Ų | 186 | 142.1 Ų | 142.1 | 87% | 0.869 | 75% | 0.751 | S | S | * | * | trans | 110.2 | 133 | 172.1 | -61.3 | -169.4 | 166.9 | 0 | 0 | 117.1 | ||||
| 392 | E | 40.4 | Very low | 41.9 | Very low | 181 Ų | 181 | 140.8 Ų | 140.8 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | trans | 87.5 | 103.5 | 174.6 | -67.1 | -173.9 | 153.3 | 0 | 0 | 120.5 | ||||
| 393 | T | 34.5 | Very low | 40.1 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | 62.6 | 106.1 | 142.6 | 56.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 394 | S | 24.6 | Very low | 38.5 | Very low | 101 Ų | 101 | 135.1 Ų | 135.1 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | 68.1 | 107.6 | 74.9 | -162.3 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 395 | E | 29.3 | Very low | 37.9 | Very low | 170 Ų | 170 | 133.7 Ų | 133.7 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | trans | 80.6 | 110.6 | 145.9 | -74.5 | -175.8 | 160.8 | 0 | 0 | 122.1 | ||||
| 396 | V | 30.6 | Very low | 36.7 | Very low | 132 Ų | 132 | 134 Ų | 134 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | 82.7 | 143.8 | 126.3 | 179.5 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 397 | S | 28.6 | Very low | 35.4 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | trans | 112.8 | 99.7 | 154.9 | -157.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 398 | E | 30 | Very low | 34.4 | Very low | 156 Ų | 156 | 139.4 Ų | 139.4 | 73% | 0.729 | 77% | 0.769 | S | S | * | * | 67.2 | 119 | 84.8 | -80.6 | -159.4 | 140.8 | 0 | 0 | 115.8 | |||||
| 399 | K | 31.7 | Very low | 33.7 | Very low | 173 Ų | 173 | 140.5 Ų | 140.5 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | trans | 73 | 122.4 | 137.5 | -99.9 | 172.4 | -177.8 | 157.5 | 0 | 121.6 | ||||
| 400 | S | 30.3 | Very low | 33.1 | Very low | 101 Ų | 101 | 140 Ų | 140 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | 96.6 | 146.9 | 126.3 | -51.8 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 401 | S | 23.5 | Very low | 32.9 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | 86.2 | 137.8 | 145.6 | -129.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 402 | S | 30.1 | Very low | 32.8 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | cis | 166.2 | 154.4 | -5.9 | 44 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 403 | A | 30.2 | Very low | 33.9 | Very low | 94 Ų | 94 | 128.8 Ų | 128.8 | 78% | 0.777 | 75% | 0.746 | S | S | * | * | trans | 66.6 | 137.4 | 142.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 404 | S | 30.5 | Very low | 34 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | cis | 173 | -166.3 | 16.3 | 55.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 405 | P | 45.1 | Very low | 34.8 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | cis | -133.4 | 176.3 | -34.6 | 23.2 | 0.2 | 0 | 0 | 0 | 114.6 | ||||
| 406 | N | 36.2 | Very low | 35.2 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | trans | -32.1 | 172.1 | 159.7 | -87.3 | -21.9 | 0 | 0 | 0 | 122.2 | ||||
| 407 | M | 32.6 | Very low | 35.9 | Very low | 162 Ų | 162 | 129.3 Ų | 129.3 | 80% | 0.798 | 73% | 0.733 | S | S | * | * | trans | 95.4 | 129.9 | 160.1 | -65 | -94.8 | 113.1 | 0 | 0 | 114.2 | ||||
| 408 | Y | 35 | Very low | 36.8 | Very low | 185 Ų | 185 | 131 Ų | 131 | 73% | 0.725 | 74% | 0.735 | S | S | * | * | cis | -160.6 | 129.8 | 26.1 | -137.1 | -110.4 | 0 | 0 | 0 | 106.6 | ||||
| 409 | E | 35.4 | Very low | 37.4 | Very low | 142 Ų | 142 | 131.8 Ų | 131.8 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | 51.2 | 116.4 | 96.1 | -156.6 | 172.7 | -152 | 0 | 0 | 117.4 | |||||
| 410 | S | 34.2 | Very low | 38.1 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | -160.2 | 108.5 | 124.9 | -165.9 | 0 | 0 | 0 | 0 | 110 | |||||
| 411 | D | 38 | Very low | 38.7 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 68% | 0.684 | 75% | 0.747 | S | S | * | * | trans | -60.1 | 153.9 | 153.8 | -78.8 | -46.2 | 0 | 0 | 0 | 111 | ||||
| 412 | V | 37.2 | Very low | 40.2 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | 156.5 | 144.1 | 112.4 | 163.7 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 413 | P | 63.6 | Low | 41.1 | Very low | 102 Ų | 102 | 140.6 Ų | 140.6 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | trans | -119.8 | -167.8 | -153.2 | 37.4 | -17.1 | 0 | 0 | 0 | 112.1 | ||||
| 414 | E | 37.9 | Very low | 41.7 | Very low | 172 Ų | 172 | 143 Ų | 143 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | 155.2 | 118.7 | 129 | -85.9 | -168.3 | 150.2 | 0 | 0 | 109.3 | |||||
| 415 | H | 40.3 | Very low | 42.3 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | 90.7 | 138.8 | 68.6 | -126.4 | -68.5 | 0 | 0 | 0 | 114.1 | |||||
| 416 | N | 38.4 | Very low | 42.1 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 66% | 0.658 | 78% | 0.782 | S | S | * | * | trans | 92.5 | 107.9 | 156.5 | -70.9 | -33.3 | 0 | 0 | 0 | 118.1 | ||||
| 417 | S | 46.1 | Very low | 42.4 | Very low | 89 Ų | 89 | 146.2 Ų | 146.2 | 62% | 0.622 | 78% | 0.782 | S | S | * | * | 77.1 | 145.4 | 67.3 | 80.8 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 418 | N | 45.6 | Very low | 43.1 | Very low | 133 Ų | 133 | 145.3 Ų | 145.3 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | cis | -173.1 | 161.8 | 14.7 | -130.6 | -25.2 | 0 | 0 | 0 | 108.9 | ||||
| 419 | K | 43.9 | Very low | 43.6 | Very low | 172 Ų | 172 | 142.6 Ų | 142.6 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | 67.6 | 128 | 142.5 | -82 | 176.8 | 175.1 | 175 | 0 | 124.1 | ||||
| 420 | K | 46.7 | Very low | 44.2 | Very low | 188 Ų | 188 | 142.6 Ų | 142.6 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | 25.9 | 140 | 119.1 | -71 | -179.2 | 172.9 | -180 | 0 | 117.3 | |||||
| 421 | Q | 42.5 | Very low | 44.9 | Very low | 189 Ų | 189 | 144.5 Ų | 144.5 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | 179.4 | 167.9 | 61.3 | -152.3 | 166.1 | -4.1 | 0 | 0 | 110.4 | |||||
| 422 | A | 55.4 | Low | 45.5 | Very low | 90 Ų | 90 | 145.8 Ų | 145.8 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | -74.7 | 147.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 423 | S | 48.6 | Very low | 46.3 | Very low | 197 Ų | 197 | 146.7 Ų | 146.7 | 100% | 1.378 | 80% | 0.797 | S | S | * | * | -178.5 | 0 | 124.4 | -78.3 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 423 of 423 residues in 90.1 ms
(Link to these results)