| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.7 | Very low | 43.1 | Very low | 225 Ų | 225 | 146 Ų | 146 | 100% | 1.108 | 79% | 0.79 | S | S | * | * | 0 | 74.4 | 0 | -53.6 | -53.4 | 177.2 | 0 | 0 | 109.7 | |||||
| 2 | D | 38 | Very low | 43.6 | Very low | 137 Ų | 137 | 144.3 Ų | 144.3 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | cis | -163.5 | 138.6 | -20.5 | -89.1 | -17.6 | 0 | 0 | 0 | 103.5 | ||||
| 3 | P | 47.7 | Very low | 43.6 | Very low | 122 Ų | 122 | 145.3 Ų | 145.3 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | trans | -80.4 | 126 | 173.9 | 30.5 | -27.8 | 0 | 0 | 0 | 109.5 | P5 | P3-P5 WeakPolarHBondContact O-CD 3.33Š| ||
| 4 | N | 40.8 | Very low | 43.1 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | trans | -69.6 | 122.6 | 171 | -179.4 | 21.2 | 0 | 0 | 0 | 110.5 | ||||
| 5 | P | 53.8 | Low | 43.4 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | trans | -109.9 | 115.1 | 170.1 | 31.6 | -14.6 | 0 | 0 | 0 | 110.4 | P3 | P3-P5 WeakPolarHBondContact O-CD 3.33Š| ||
| 6 | F | 45.4 | Very low | 43.8 | Very low | 174 Ų | 174 | 146.8 Ų | 146.8 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | trans | -58.1 | 165.6 | 153.4 | -85.9 | -93.6 | 0 | 0 | 0 | 110.5 | ||||
| 7 | I | 46.3 | Very low | 43.8 | Very low | 141 Ų | 141 | 148.7 Ų | 148.7 | 72% | 0.723 | 82% | 0.821 | S | S | * | * | trans | 86.9 | 96.8 | 156.9 | -33 | -172.6 | 0 | 0 | 0 | 116 | ||||
| 8 | Y | 37.8 | Very low | 43.6 | Very low | 204 Ų | 204 | 144.6 Ų | 144.6 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | 174.4 | 122.8 | 108.3 | -109.8 | -86.8 | 0 | 0 | 0 | 110.9 | T10 | Y8-T10 HydrophobicContact CD1-CG2 4.08Š| |||
| 9 | C | 43.1 | Very low | 43.8 | Very low | 117 Ų | 117 | 147 Ų | 147 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | trans | -86.3 | 119.3 | 160.4 | 173.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 10 | T | 44.6 | Very low | 43.8 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 72% | 0.724 | 82% | 0.822 | S | S | * | * | trans | -143 | 90.6 | 163.4 | 48.9 | 0 | 0 | 0 | 0 | 109.4 | Y8 | Y8-T10 HydrophobicContact CD1-CG2 4.08Š| ||
| 11 | C | 41.5 | Very low | 44 | Very low | 118 Ų | 118 | 148.6 Ų | 148.6 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | trans | -151.1 | 55.4 | 155.8 | 48.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 12 | C | 48.7 | Very low | 44.6 | Very low | 125 Ų | 125 | 146.1 Ų | 146.1 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | -93.5 | 99.4 | 141.1 | -89.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 13 | D | 43.3 | Very low | 44.9 | Very low | 158 Ų | 158 | 147.2 Ų | 147.2 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | 163.7 | 87.1 | 147.7 | -87.2 | -17.9 | 0 | 0 | 0 | 110.2 | ||||
| 14 | C | 36.4 | Very low | 44.7 | Very low | 137 Ų | 137 | 151 Ų | 151 | 93% | 0.926 | 82% | 0.823 | S | S | * | * | trans | -139.4 | 48.1 | 163.3 | -78.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 15 | C | 48.1 | Very low | 44.9 | Very low | 124 Ų | 124 | 150.8 Ų | 150.8 | 84% | 0.838 | 83% | 0.826 | S | S | * | * | trans | -97.8 | 124 | 154 | -69.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 16 | K | 49.4 | Very low | 44.7 | Very low | 198 Ų | 198 | 150.7 Ų | 150.7 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | trans | 102.6 | 69.7 | 178 | -56.5 | -175.9 | -173.1 | -170.9 | 0 | 115.9 | ||||
| 17 | L | 44.1 | Very low | 44.4 | Very low | 180 Ų | 180 | 153.2 Ų | 153.2 | 94% | 0.942 | 83% | 0.832 | S | S | * | * | trans | -147.4 | 143.9 | 141.8 | -75.7 | -177.6 | 0 | 0 | 0 | 109.4 | ||||
| 18 | G | 40.7 | Very low | 44.4 | Very low | 74 Ų | 74 | 152.3 Ų | 152.3 | 76% | 0.763 | 84% | 0.835 | S | S | * | * | trans | -65 | 180 | -164.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 19 | Q | 46.6 | Very low | 44.5 | Very low | 191 Ų | 191 | 150.5 Ų | 150.5 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | trans | -36.6 | 130.3 | -171 | -62.9 | -168.4 | -40.5 | 0 | 0 | 115.8 | ||||
| 20 | P | 44.4 | Very low | 44.3 | Very low | 128 Ų | 128 | 150.9 Ų | 150.9 | 83% | 0.831 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -77 | 127.9 | 168.2 | -8.3 | 25 | 0 | 0 | 0 | 110.9 | ||
| 21 | K | 48.8 | Very low | 44 | Very low | 200 Ų | 200 | 154.8 Ų | 154.8 | 87% | 0.87 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 136.2 | 166.8 | -66.8 | 174.6 | 179.9 | 175.2 | 0 | 109.7 | I23 | K21-I23 PolarHBondContact O-N 3.35Š|
| 22 | L | 46.5 | Very low | 43.6 | Very low | 173 Ų | 173 | 157.9 Ų | 157.9 | 91% | 0.906 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 119.6 | 176.1 | -82 | 135.6 | 0 | 0 | 0 | 111.9 | ||
| 23 | I | 44.1 | Very low | 43.3 | Very low | 159 Ų | 159 | 157 Ų | 157 | 82% | 0.815 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 125.6 | 166.7 | -62.5 | 172.8 | 0 | 0 | 0 | 107.6 | K21 | K21-I23 PolarHBondContact O-N 3.35Š|
| 24 | K | 44 | Very low | 43.5 | Very low | 203 Ų | 203 | 156.3 Ų | 156.3 | 88% | 0.883 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 123.7 | 173.3 | -72.9 | 176.5 | 175.2 | 177.8 | 0 | 109.8 | ||
| 25 | T | 44.4 | Very low | 43.3 | Very low | 133 Ų | 133 | 152.9 Ų | 152.9 | 82% | 0.816 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 136.2 | 163 | 28.2 | 0 | 0 | 0 | 0 | 110.4 | ||
| 26 | P | 50.9 | Low | 43.2 | Very low | 110 Ų | 110 | 156.1 Ų | 156.1 | 71% | 0.714 | 83% | 0.831 | S | S | * | * | trans | -92.5 | 110.4 | 167.5 | 32.7 | -22.7 | 0 | 0 | 0 | 107.9 | ||||
| 27 | Y | 38.5 | Very low | 42.5 | Very low | 227 Ų | 227 | 156.4 Ų | 156.4 | 89% | 0.89 | 83% | 0.832 | S | S | * | * | trans | 164.8 | 132.4 | 146.7 | -95.4 | -74.2 | 0 | 0 | 0 | 109.2 | ||||
| 28 | P | 46.9 | Very low | 42.6 | Very low | 121 Ų | 121 | 157.3 Ų | 157.3 | 79% | 0.786 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 138.2 | -173.9 | 33.9 | -30.1 | 0 | 0 | 0 | 112.1 | ||
| 29 | L | 39.4 | Very low | 42.4 | Very low | 167 Ų | 167 | 159.3 Ų | 159.3 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 148.2 | 170.6 | -133.5 | 79.5 | 0 | 0 | 0 | 110.9 | ||
| 30 | P | 38.2 | Very low | 42 | Very low | 124 Ų | 124 | 156.8 Ų | 156.8 | 81% | 0.805 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 151.8 | -167.8 | -16 | 30.8 | 0 | 0 | 0 | 115.1 | ||
| 31 | K | 40.2 | Very low | 41.8 | Very low | 200 Ų | 200 | 157.9 Ų | 157.9 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 134.6 | 174.8 | -64.7 | 179.3 | 178.1 | 177.6 | 0 | 111.5 | ||
| 32 | H | 33.1 | Very low | 41.4 | Very low | 184 Ų | 184 | 153.7 Ų | 153.7 | 85% | 0.852 | 82% | 0.817 | S | S | * | * | trans | -175.5 | 165.1 | 139.4 | -116.7 | -81.5 | 0 | 0 | 0 | 110.5 | ||||
| 33 | P | 41.6 | Very low | 41.1 | Very low | 107 Ų | 107 | 150.9 Ų | 150.9 | 70% | 0.695 | 81% | 0.809 | S | S | * | * | -110.4 | 164.4 | -70.2 | 29.9 | -13.4 | 0 | 0 | 0 | 113.2 | G35 | P33-G35 PolarHBondContact O-N 2.98Š| |||
| 34 | T | 46.7 | Very low | 40.7 | Very low | 143 Ų | 143 | 149.3 Ų | 149.3 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | trans | -49.1 | 112.3 | 175.6 | -36.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 35 | G | 32.2 | Very low | 40.2 | Very low | 65 Ų | 65 | 147.7 Ų | 147.7 | 67% | 0.67 | 81% | 0.808 | S | S | * | * | trans | -129.5 | 115.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | P33 F37 | P33-G35 PolarHBondContact O-N 2.98Å; G35-F37 PolarHBondContact O-N 3Å | ||
| 36 | K | 45.6 | Very low | 39.7 | Very low | 192 Ų | 192 | 146.4 Ų | 146.4 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -72.3 | 119.3 | -175.6 | -64 | 179.8 | 179 | 177.1 | 0 | 110.7 | ||||
| 37 | F | 34.9 | Very low | 39.3 | Very low | 204 Ų | 204 | 150.4 Ų | 150.4 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | trans | -132.4 | 115.6 | 154.5 | -79.2 | -79.8 | 0 | 0 | 0 | 109 | G35 | G35-F37 PolarHBondContact O-N 3Š| ||
| 38 | K | 46.6 | Very low | 39 | Very low | 198 Ų | 198 | 148.4 Ų | 148.4 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | -83.2 | 127.6 | 169.1 | -72.9 | -179.6 | 175.8 | -178.3 | 0 | 108 | ||||
| 39 | P | 36.9 | Very low | 38.5 | Very low | 117 Ų | 117 | 150.4 Ų | 150.4 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | -76.1 | 120.8 | 158.5 | -5.8 | 23 | 0 | 0 | 0 | 108.4 | L41 | P39-L41 PolarHBondContact O-N 3.33Š| ||
| 40 | V | 37.3 | Very low | 38.2 | Very low | 138 Ų | 138 | 149.2 Ų | 149.2 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -76.7 | 109.5 | 165.6 | 172.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 41 | L | 41.3 | Very low | 37.9 | Very low | 151 Ų | 151 | 148.8 Ų | 148.8 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 131.6 | 164.2 | -79.7 | 160.9 | 0 | 0 | 0 | 108.1 | P39 | P39-L41 PolarHBondContact O-N 3.33Š|
| 42 | P | 39.4 | Very low | 37.5 | Very low | 111 Ų | 111 | 147.3 Ų | 147.3 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 147 | 171.2 | 29.6 | -30.7 | 0 | 0 | 0 | 110.7 | ||
| 43 | P | 40.6 | Very low | 37.4 | Very low | 115 Ų | 115 | 147 Ų | 147 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 159.9 | -176.3 | 32.4 | -33 | 0 | 0 | 0 | 112.6 | ||
| 44 | P | 36.3 | Very low | 37 | Very low | 125 Ų | 125 | 146.8 Ų | 146.8 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 138.2 | -178 | 30.9 | -32.4 | 0 | 0 | 0 | 111.6 | S46 | P44-S46 PolarHBondContact O-N 3.48Š|
| 45 | I | 32.4 | Very low | 36.5 | Very low | 170 Ų | 170 | 148.6 Ų | 148.6 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -76.4 | 105 | 174.7 | -64.4 | 169.1 | 0 | 0 | 0 | 108.5 | ||||
| 46 | S | 34.3 | Very low | 36.6 | Very low | 106 Ų | 106 | 151.6 Ų | 151.6 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | trans | -93.2 | 128.6 | 163.5 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | P44 | P44-S46 PolarHBondContact O-N 3.48Š| ||
| 47 | K | 42.9 | Very low | 35.7 | Very low | 193 Ų | 193 | 145.7 Ų | 145.7 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -70.7 | 123.2 | 169.7 | -66.2 | 171.9 | 178.1 | 176.4 | 0 | 108.6 | ||||
| 48 | E | 31.8 | Very low | 35.4 | Very low | 186 Ų | 186 | 146.3 Ų | 146.3 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | trans | -164.5 | 155.7 | 144.4 | -119 | 169.2 | 179.2 | 0 | 0 | 112.4 | ||||
| 49 | H | 36 | Very low | 34.5 | Very low | 163 Ų | 163 | 142.4 Ų | 142.4 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | -76.3 | 153.9 | -154.4 | -81.7 | -103.4 | 0 | 0 | 0 | 115.9 | ||||
| 50 | N | 34.4 | Very low | 33.9 | Very low | 141 Ų | 141 | 143.2 Ų | 143.2 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | trans | 45.7 | 112.4 | 142.5 | -68.8 | -22.1 | 0 | 0 | 0 | 118.5 | ||||
| 51 | S | 32.2 | Very low | 33.6 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | -168.9 | 144 | 127.9 | -81.7 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 52 | L | 30.3 | Very low | 33 | Very low | 169 Ų | 169 | 140.1 Ų | 140.1 | 89% | 0.885 | 80% | 0.802 | S | S | * | * | trans | 99.3 | 84.1 | 168.4 | -51.5 | 178.2 | 0 | 0 | 0 | 117.1 | ||||
| 53 | L | 31.7 | Very low | 33.1 | Very low | 178 Ų | 178 | 140 Ų | 140 | 93% | 0.932 | 80% | 0.802 | S | S | * | * | trans | -124.9 | 130.4 | 135.6 | -158.3 | 81.4 | 0 | 0 | 0 | 108.9 | ||||
| 54 | S | 32.4 | Very low | 32.4 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 71% | 0.713 | 81% | 0.81 | S | S | * | * | trans | -77.7 | 127.9 | 177.7 | -61 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 55 | Q | 37.1 | Very low | 32.1 | Very low | 181 Ų | 181 | 147.2 Ų | 147.2 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | 62.9 | 147.8 | 137.7 | -61.3 | -134.5 | -10.4 | 0 | 0 | 119.9 | ||||
| 56 | P | 33.4 | Very low | 31.9 | Very low | 127 Ų | 127 | 149.2 Ų | 149.2 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | cis | -142.3 | 168.1 | 46.2 | 37.8 | -16.3 | 0 | 0 | 0 | 117.6 | ||||
| 57 | G | 26.9 | Very low | 31.9 | Very low | 68 Ų | 68 | 150.3 Ų | 150.3 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | trans | -83.1 | 162.8 | -179 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 58 | K | 29.6 | Very low | 31.4 | Very low | 218 Ų | 218 | 150 Ų | 150 | 95% | 0.948 | 82% | 0.815 | S | S | * | * | trans | -137.2 | 133.2 | 147.1 | -80.4 | -172.6 | 178.4 | 177.7 | 0 | 109.3 | ||||
| 59 | S | 27 | Very low | 31.3 | Very low | 116 Ų | 116 | 147 Ų | 147 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | trans | -81.6 | 149.6 | -179.7 | 173.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 60 | T | 25.6 | Very low | 30.8 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 82% | 0.816 | 82% | 0.816 | S | S | * | * | trans | -146.1 | 108.8 | 157.8 | -65 | 0 | 0 | 0 | 0 | 109 | ||||
| 61 | V | 29.6 | Very low | 30.6 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 73% | 0.733 | 82% | 0.821 | S | S | * | * | trans | 61.7 | 105.5 | 143.8 | -172.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 62 | S | 28.9 | Very low | 30.5 | Very low | 103 Ų | 103 | 143.9 Ų | 143.9 | 72% | 0.72 | 82% | 0.817 | S | S | * | * | 40.1 | 160.1 | 121.5 | -161 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 63 | P | 41.3 | Very low | 30.4 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 71% | 0.714 | 81% | 0.814 | S | S | * | * | cis | -132.1 | 164.2 | -23.6 | 24.3 | -3.3 | 0 | 0 | 0 | 114.3 | ||||
| 64 | R | 26 | Very low | 30.9 | Very low | 244 Ų | 244 | 141.5 Ų | 141.5 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | -174.4 | 143 | 127.8 | -114.9 | 179 | 174.1 | -178.9 | -0.9 | 114.5 | |||||
| 65 | D | 29.5 | Very low | 30.9 | Very low | 147 Ų | 147 | 142.1 Ų | 142.1 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | trans | -58.7 | 149.2 | -178.9 | -51.7 | -71.1 | 0 | 0 | 0 | 115.3 | ||||
| 66 | K | 29.9 | Very low | 31.4 | Very low | 212 Ų | 212 | 143.6 Ų | 143.6 | 92% | 0.922 | 82% | 0.818 | S | S | * | * | -166.1 | 135.7 | 124.1 | -106 | 171.1 | -174.4 | -174.1 | 0 | 113.1 | |||||
| 67 | V | 33.3 | Very low | 32.2 | Very low | 129 Ų | 129 | 140.8 Ų | 140.8 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | trans | -68.4 | 144.5 | 177.1 | 170.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 68 | Q | 31.5 | Very low | 33.2 | Very low | 187 Ų | 187 | 143.7 Ų | 143.7 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -179.4 | 105.9 | 139.1 | -98.9 | 164.1 | 13.7 | 0 | 0 | 107.7 | ||||
| 69 | S | 31.4 | Very low | 34.5 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | 50.3 | 109.4 | 83.4 | -162.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 70 | G | 25.5 | Very low | 36.3 | Very low | 77 Ų | 77 | 137.1 Ų | 137.1 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | -176.7 | 87.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 71 | N | 30.5 | Very low | 38.6 | Very low | 158 Ų | 158 | 135.1 Ų | 135.1 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | -66.4 | 145.5 | 172.5 | -156.4 | 14.8 | 0 | 0 | 0 | 109.9 | ||||
| 72 | T | 29.4 | Very low | 40.9 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 73% | 0.73 | 75% | 0.748 | S | S | * | * | trans | 170.9 | 113.1 | 137.7 | -64.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 73 | E | 28.3 | Very low | 43.1 | Very low | 175 Ų | 175 | 134.4 Ų | 134.4 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | 39.7 | 112.4 | 139.1 | -56.1 | -178.3 | 144.5 | 0 | 0 | 122.8 | ||||
| 74 | S | 41.5 | Very low | 44.8 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | 34.7 | 95.8 | 126.8 | 178.8 | 0 | 0 | 0 | 0 | 119 | |||||
| 75 | S | 33.1 | Very low | 47 | Very low | 115 Ų | 115 | 124.4 Ų | 124.4 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | trans | -128 | 113.7 | 144 | 63.6 | 0 | 0 | 0 | 0 | 109.6 | A77 | S75-A77 PolarHBondContact O-N 3.4Š| ||
| 76 | K | 46.8 | Very low | 49.2 | Very low | 212 Ų | 212 | 123 Ų | 123 | 92% | 0.922 | 71% | 0.71 | S | S | * | * | trans | -74.4 | 90.7 | -173.2 | -153.5 | 173.8 | -170.9 | 177.6 | 0 | 110.1 | ||||
| 77 | A | 49.7 | Very low | 51.2 | Low | 67 Ų | 67 | 113.1 Ų | 113.1 | 55% | 0.554 | 67% | 0.668 | S | S | * | * | trans | -80.7 | 151 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | S75 S79 | S75-A77 PolarHBondContact O-N 3.4Å; A77-S79 PolarHBondContact O-N 3.32Å | ||
| 78 | P | 47.7 | Very low | 53.5 | Low | 130 Ų | 130 | 111.6 Ų | 111.6 | 84% | 0.844 | 65% | 0.649 | S | S | * | * | trans | -69.1 | 104.5 | 179.9 | 26.5 | -30.5 | 0 | 0 | 0 | 109.7 | E80 | P78-E80 PolarHBondContact O-N 2.95Š| ||
| 79 | S | 57.8 | Low | 55.9 | Low | 66 Ų | 66 | 104.2 Ų | 104.2 | 46% | 0.462 | 62% | 0.617 | S | S | . | * | trans | -68.7 | 120.2 | 171.7 | -52.3 | 0 | 0 | 0 | 0 | 109.4 | A77 V81 | A77-S79 PolarHBondContact O-N 3.32Å; S79-V81 PolarHBondContact O-N 2.81Å | ||
| 80 | E | 65.2 | Low | 58.4 | Low | 130 Ų | 130 | 99.8 Ų | 99.8 | 61% | 0.607 | 58% | 0.584 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.2 | 115 | 174.1 | -162.2 | 174.5 | -160.4 | 0 | 0 | 108.7 | P78 I82 R92 | P78-E80 PolarHBondContact O-N 2.95Å; E80-I82 HydrophobicContact CG-CD1 4.47Å; E80-I82 HydrophobicContact CG-CG1 4.19Å; E80-R92 PolarHBondContact O-N 3.45Å |
| 81 | V | 73.3 | Confident | 61 | Low | 90 Ų | 90 | 98.4 Ų | 98.4 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.9 | 111.1 | -178.2 | -177.1 | 0 | 0 | 0 | 0 | 107.9 | S79 T89 I91 | S79-V81 PolarHBondContact O-N 2.81Å; V81-T89 HydrophobicContact CG1-CG2 3.19Å; V81-I91 HydrophobicContact CG2-CG1 4.41Å |
| 82 | I | 77.4 | Confident | 63.4 | Low | 69 Ų | 69 | 97.8 Ų | 97.8 | 35% | 0.354 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 122 | -175.5 | -55.1 | 173.2 | 0 | 0 | 0 | 108.5 | E80 V84 L90 | E80-I82 HydrophobicContact CG-CD1 4.47Å; E80-I82 HydrophobicContact CG-CG1 4.19Å; I82-V84 PolarHBondContact O-N 2.64Å; I82-L90 PolarHBondContact N-O 2.99Å; I82-L90 PolarHBondContact O-N 3.02Å |
| 83 | Q | 75.4 | Confident | 65.6 | Low | 141 Ų | 141 | 95.4 Ų | 95.4 | 66% | 0.659 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 113.7 | 165.8 | -88.5 | -151 | 6.5 | 0 | 0 | 109.1 | ||
| 84 | V | 78.3 | Confident | 67.8 | Low | 86 Ų | 86 | 99.5 Ų | 99.5 | 52% | 0.521 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -34 | 179.2 | -158.8 | 0 | 0 | 0 | 0 | 110.2 | I82 Y88 L90 | I82-V84 PolarHBondContact O-N 2.64Å; V84-Y88 PolarHBondContact N-O 3.36Å; V84-L90 HydrophobicContact CG2-CB 3.4Å; V84-L90 HydrophobicContact CG2-CD2 4.22Å; V84-L90 HydrophobicContact CG2-CG 4.43Å |
| 85 | S | 70.9 | Confident | 69.5 | Low | 57 Ų | 57 | 102.9 Ų | 102.9 | 40% | 0.399 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 157.2 | -177.6 | -40.6 | 0 | 0 | 0 | 0 | 109.4 | G87 Y88 | S85-G87 PolarHBondContact O-N 3.45Å; S85-Y88 PolarHBondContact O-N 3.09Å; S85-Y88 VanDerWaalsContact O-O 3.14Å |
| 86 | P | 77 | Confident | 71.5 | Confident | 117 Ų | 117 | 103.9 Ų | 103.9 | 76% | 0.76 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 127 | 174.7 | -24.9 | 34.2 | 0 | 0 | 0 | 111.3 | Y88 | P86-Y88 VanDerWaalsContact C-N 3.3Å; P86-Y88 PolarHBondContact O-N 2.96Å |
| 87 | G | 72 | Confident | 73.3 | Confident | 5 Ų | 5 | 98.4 Ų | 98.4 | 5% | 0.052 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 2.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116 | S85 L101 G102 | S85-G87 PolarHBondContact O-N 3.45Å; G87-L101 CarbonylContact O-C 3.58Å; G87-L101 WeakPolarHBondContact O-CD1 3.35Å; G87-G102 PolarHBondContact O-N 2.86Å |
| 88 | Y | 80.9 | Confident | 74.7 | Confident | 97 Ų | 97 | 97.2 Ų | 97.2 | 38% | 0.38 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 123.2 | 174.5 | -70.2 | -93.1 | 0 | 0 | 0 | 111.8 | V84 S85 P86 V99 L101 M105 | V84-Y88 PolarHBondContact N-O 3.36Å; S85-Y88 PolarHBondContact O-N 3.09Å; S85-Y88 VanDerWaalsContact O-O 3.14Å; P86-Y88 VanDerWaalsContact C-N 3.3Å; P86-Y88 PolarHBondContact O-N 2.96Å; Y88-V99 HydrophobicContact CD1-CG1 3.99Å; Y88-L101 HydrophobicContact CD1-CD1 3.78Å; Y88-L101 HydrophobicContact CD2-CD1 4.06Å; Y88-L101 HydrophobicContact CE1-CB 4.4Å; Y88-L101 HydrophobicContact CE1-CD1 3.34Å; Y88-L101 HydrophobicContact CE1-CG 4.44Å; Y88-L101 HydrophobicContact CE2-CD1 3.64Å; Y88-L101 HydrophobicContact CG-CD1 4.14Å; Y88-M105 HydrophobicContact CE2-CE 4.27Å |
| 89 | T | 82.5 | Confident | 76.4 | Confident | 33 Ų | 33 | 95.4 Ų | 95.4 | 20% | 0.202 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 123.6 | -179.1 | -43.2 | 0 | 0 | 0 | 0 | 109.6 | V81 T100 | V81-T89 HydrophobicContact CG1-CG2 3.19Å; T89-T100 PolarHBondContact N-O 2.83Å; T89-T100 PolarHBondContact O-N 3.29Å; T89-T100 PolarHBondContact O-OG1 3.49Å |
| 90 | L | 82.9 | Confident | 77.5 | Confident | 28 Ų | 28 | 95.3 Ų | 95.3 | 15% | 0.147 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 124.7 | 173.9 | 175 | 64.8 | 0 | 0 | 0 | 109.6 | I82 V84 I97 S98 V99 | I82-L90 PolarHBondContact N-O 2.99Å; I82-L90 PolarHBondContact O-N 3.02Å; V84-L90 HydrophobicContact CG2-CB 3.4Å; V84-L90 HydrophobicContact CG2-CD2 4.22Å; V84-L90 HydrophobicContact CG2-CG 4.43Å; L90-I97 HydrophobicContact CD1-CG2 3.26Å; L90-I97 HydrophobicContact CG-CG2 4.38Å; L90-S98 VanDerWaalsContact CD1-O 3.26Å; L90-S98 WeakPolarHBondContact CD1-O 3.23Å; L90-V99 HydrophobicContact CD1-CG2 3.56Å |
| 91 | I | 80 | Confident | 78.4 | Confident | 49 Ų | 49 | 92 Ų | 92 | 25% | 0.251 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 116.5 | 172 | -54.6 | 176.5 | 0 | 0 | 0 | 106.9 | V81 S98 | V81-I91 HydrophobicContact CG2-CG1 4.41Å; I91-S98 PolarHBondContact N-O 3.46Å; I91-S98 PolarHBondContact O-N 2.98Å |
| 92 | R | 80.5 | Confident | 78.6 | Confident | 145 Ų | 145 | 88.4 Ų | 88.4 | 55% | 0.547 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 117.9 | -178.9 | 179.9 | 166.3 | -170.7 | 160.6 | 2.3 | 110.4 | E80 I97 | E80-R92 PolarHBondContact O-N 3.45Å; R92-I97 HydrophobicContact CG-CG1 4.11Å |
| 93 | N | 76.5 | Confident | 78.2 | Confident | 69 Ų | 69 | 91.1 Ų | 91.1 | 37% | 0.369 | 46% | 0.461 | S | S | . | . | trans | -111.9 | 167.7 | 167.3 | -70.1 | -41.7 | 0 | 0 | 0 | 109.7 | E95 Q96 | N93-E95 PolarHBondContact O-N 3.5Å; N93-E95 VanDerWaalsContact O-N 3.1Å; N93-Q96 PolarHBondContact N-O 2.97Å; N93-Q96 PolarHBondContact O-N 3.19Å | ||
| 94 | R | 75.4 | Confident | 78 | Confident | 260 Ų | 260 | 90.9 Ų | 90.9 | 98% | 0.981 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -56.4 | -27.7 | 179.9 | -95.6 | -174.1 | 173.7 | -173.6 | -1.4 | 113.7 | ||
| 95 | E | 75.4 | Confident | 77.4 | Confident | 195 Ų | 195 | 92.1 Ų | 92.1 | 91% | 0.911 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -110.4 | -18.5 | -172.1 | -68.1 | 159.5 | -164.8 | 0 | 0 | 113.2 | N93 | N93-E95 PolarHBondContact O-N 3.5Å; N93-E95 VanDerWaalsContact O-N 3.1Å |
| 96 | Q | 75.4 | Confident | 77.1 | Confident | 135 Ų | 135 | 96.2 Ų | 96.2 | 63% | 0.631 | 47% | 0.473 | S | S | * | . | trans | -146.6 | 139.1 | -175.2 | -164.9 | 174.7 | 20.1 | 0 | 0 | 111.8 | N93 | N93-Q96 PolarHBondContact N-O 2.97Å; N93-Q96 PolarHBondContact O-N 3.19Å | ||
| 97 | I | 84 | Confident | 76.2 | Confident | 98 Ų | 98 | 96.6 Ų | 96.6 | 50% | 0.503 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 117.1 | 169.4 | -58.7 | -178.2 | 0 | 0 | 0 | 105.8 | L90 R92 | L90-I97 HydrophobicContact CD1-CG2 3.26Å; L90-I97 HydrophobicContact CG-CG2 4.38Å; R92-I97 HydrophobicContact CG-CG1 4.11Å |
| 98 | S | 79.5 | Confident | 75.5 | Confident | 42 Ų | 42 | 107.3 Ų | 107.3 | 29% | 0.294 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 134.3 | 174.1 | 58 | 0 | 0 | 0 | 0 | 110.1 | L90 I91 | L90-S98 VanDerWaalsContact CD1-O 3.26Å; L90-S98 WeakPolarHBondContact CD1-O 3.23Å; I91-S98 PolarHBondContact N-O 3.46Å; I91-S98 PolarHBondContact O-N 2.98Å |
| 99 | V | 84.6 | Confident | 74.5 | Confident | 91 Ų | 91 | 111.9 Ų | 111.9 | 55% | 0.552 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 118 | 171.7 | 179.3 | 0 | 0 | 0 | 0 | 106.7 | Y88 L90 | Y88-V99 HydrophobicContact CD1-CG1 3.99Å; L90-V99 HydrophobicContact CD1-CG2 3.56Å |
| 100 | T | 80.9 | Confident | 73.2 | Confident | 64 Ų | 64 | 119.4 Ų | 119.4 | 39% | 0.393 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.4 | 131.8 | 175.7 | 53.4 | 0 | 0 | 0 | 0 | 109.6 | T89 | T89-T100 PolarHBondContact N-O 2.83Å; T89-T100 PolarHBondContact O-N 3.29Å; T89-T100 PolarHBondContact O-OG1 3.49Å |
| 101 | L | 83.2 | Confident | 71.4 | Confident | 62 Ų | 62 | 124.5 Ų | 124.5 | 33% | 0.325 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.6 | 126.9 | 168.6 | -174 | 71.9 | 0 | 0 | 0 | 108.5 | G87 Y88 M105 F106 | G87-L101 CarbonylContact O-C 3.58Å; G87-L101 WeakPolarHBondContact O-CD1 3.35Å; Y88-L101 HydrophobicContact CD1-CD1 3.78Å; Y88-L101 HydrophobicContact CD2-CD1 4.06Å; Y88-L101 HydrophobicContact CE1-CB 4.4Å; Y88-L101 HydrophobicContact CE1-CD1 3.34Å; Y88-L101 HydrophobicContact CE1-CG 4.44Å; Y88-L101 HydrophobicContact CE2-CD1 3.64Å; Y88-L101 HydrophobicContact CG-CD1 4.14Å; L101-M105 HydrophobicContact CD1-CB 4.45Å; L101-M105 HydrophobicContact CD1-CE 3.78Å; L101-M105 HydrophobicContact CD1-CG 3.93Å; L101-M105 HydrophobicContact CD2-CB 4.35Å; L101-M105 HydrophobicContact CG-CB 4.3Å; L101-M105 HydrophobicContact CG-CG 4.24Å; L101-F106 HydrophobicContact CD2-CE2 3.6Å; L101-F106 HydrophobicContact CD2-CZ 3.72Å; L101-F106 HydrophobicContact CG-CE2 4.24Å |
| 102 | G | 77.8 | Confident | 70.1 | Confident | 13 Ų | 13 | 129.8 Ų | 129.8 | 13% | 0.134 | 61% | 0.609 | C | S | . | * | trans | -70 | 141.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G87 E104 M105 | G87-G102 PolarHBondContact O-N 2.86Å; G102-E104 PolarHBondContact O-N 3.33Å; G102-M105 PolarHBondContact O-N 2.89Å; G102-M105 VanDerWaalsContact O-N 3.09Å | ||
| 103 | D | 69.4 | Low | 68.1 | Low | 126 Ų | 126 | 130.4 Ų | 130.4 | 67% | 0.674 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -59.5 | -15.6 | -179.1 | -77.9 | -18.5 | 0 | 0 | 0 | 114.1 | M105 F106 N107 | D103-M105 PolarHBondContact O-N 3.46Å; D103-F106 PolarHBondContact O-N 3.01Å; D103-N107 PolarHBondContact O-N 3.5Å; D103-N107 VanDerWaalsContact O-N 3.15Å; D103-N107 PolarHBondContact O-ND2 3.13Å |
| 104 | E | 70.7 | Confident | 66.9 | Low | 137 Ų | 137 | 131.6 Ų | 131.6 | 64% | 0.64 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -51.1 | -36.1 | 170.4 | -55.6 | 167.1 | -147.8 | 0 | 0 | 112.3 | G102 F106 | G102-E104 PolarHBondContact O-N 3.33Å; E104-F106 VanDerWaalsContact C-N 3.28Å; E104-F106 PolarHBondContact O-N 2.97Å |
| 105 | M | 65 | Low | 65.6 | Low | 111 Ų | 111 | 126.2 Ų | 126.2 | 55% | 0.547 | 62% | 0.623 | S | S | . | * | G | 310 helix | trans | -74.3 | -17.9 | -178.5 | -64.7 | -87.2 | -84.6 | 0 | 0 | 113 | Y88 L101 G102 D103 | Y88-M105 HydrophobicContact CE2-CE 4.27Å; L101-M105 HydrophobicContact CD1-CB 4.45Å; L101-M105 HydrophobicContact CD1-CE 3.78Å; L101-M105 HydrophobicContact CD1-CG 3.93Å; L101-M105 HydrophobicContact CD2-CB 4.35Å; L101-M105 HydrophobicContact CG-CB 4.3Å; L101-M105 HydrophobicContact CG-CG 4.24Å; G102-M105 PolarHBondContact O-N 2.89Å; G102-M105 VanDerWaalsContact O-N 3.09Å; D103-M105 PolarHBondContact O-N 3.46Å |
| 106 | F | 66.4 | Low | 64.2 | Low | 144 Ų | 144 | 123.3 Ų | 123.3 | 63% | 0.632 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -15 | 179.1 | -62.9 | -79 | 0 | 0 | 0 | 113.1 | L101 D103 E104 R108 | L101-F106 HydrophobicContact CD2-CE2 3.6Å; L101-F106 HydrophobicContact CD2-CZ 3.72Å; L101-F106 HydrophobicContact CG-CE2 4.24Å; D103-F106 PolarHBondContact O-N 3.01Å; E104-F106 VanDerWaalsContact C-N 3.28Å; E104-F106 PolarHBondContact O-N 2.97Å; F106-R108 PolarHBondContact O-N 3.26Å |
| 107 | N | 58.2 | Low | 63 | Low | 124 Ų | 124 | 125.6 Ų | 125.6 | 66% | 0.663 | 63% | 0.634 | S | S | * | * | trans | -73.5 | 73 | 171.4 | -76.7 | -44.3 | 0 | 0 | 0 | 110.8 | D103 K109 | D103-N107 PolarHBondContact O-N 3.5Å; D103-N107 VanDerWaalsContact O-N 3.15Å; D103-N107 PolarHBondContact O-ND2 3.13Å; N107-K109 PolarHBondContact O-N 3.35Å | ||
| 108 | R | 56.5 | Low | 61 | Low | 231 Ų | 231 | 125.8 Ų | 125.8 | 87% | 0.872 | 64% | 0.644 | S | S | * | * | trans | -69.9 | 80.8 | 165.9 | -153.6 | -173.6 | -69.1 | -149.4 | 1.9 | 108 | F106 K110 | F106-R108 PolarHBondContact O-N 3.26Å; R108-K110 PolarHBondContact O-N 2.95Å | ||
| 109 | K | 59.7 | Low | 59.7 | Low | 192 Ų | 192 | 133.4 Ų | 133.4 | 84% | 0.835 | 67% | 0.672 | S | S | * | * | trans | -53.5 | 109.1 | 160.8 | -116.1 | 178.9 | -178.2 | 176.4 | 0 | 105.4 | N107 H111 | N107-K109 PolarHBondContact O-N 3.35Å; K109-H111 PolarHBondContact O-N 2.98Å | ||
| 110 | K | 55.7 | Low | 58.1 | Low | 191 Ų | 191 | 134.1 Ų | 134.1 | 83% | 0.83 | 68% | 0.676 | S | S | * | * | trans | -65.6 | 89.1 | 169.6 | -69 | -175.9 | -178.9 | 179.1 | 0 | 106.6 | R108 L112 | R108-K110 PolarHBondContact O-N 2.95Å; K110-L112 VanDerWaalsContact C-N 3.3Å; K110-L112 PolarHBondContact O-N 3.29Å | ||
| 111 | H | 44.1 | Very low | 57 | Low | 136 Ų | 136 | 141.3 Ų | 141.3 | 63% | 0.63 | 70% | 0.702 | S | S | * | * | trans | -71.6 | 95.8 | 164.6 | -142.1 | -108.5 | 0 | 0 | 0 | 105.7 | K109 E113 | K109-H111 PolarHBondContact O-N 2.98Å; H111-E113 IonicContact CE1-OE1 3.37Å; H111-E113 PolarHBondContact CE1-OE1 2.95Å; H111-E113 VanDerWaalsContact CE1-OE1 3.29Å; H111-E113 IonicContact CE1-OE2 3.52Å; H111-E113 PolarHBondContact CE1-OE2 3.21Å; H111-E113 WeakPolarHBondContact ND1-CG 3.43Å; H111-E113 IonicContact ND1-OE1 3.16Å; H111-E113 IonicContact ND1-OE2 2.82Å; H111-E113 PolarHBondContact ND1-OE2 3.5Å; H111-E113 PolarHBondContact O-N 3.47Å | ||
| 112 | L | 53.7 | Low | 55.6 | Low | 160 Ų | 160 | 144.8 Ų | 144.8 | 84% | 0.838 | 71% | 0.714 | S | S | * | * | trans | -70.8 | 87.7 | 157.2 | -113.6 | 97.4 | 0 | 0 | 0 | 105.6 | K110 | K110-L112 VanDerWaalsContact C-N 3.3Å; K110-L112 PolarHBondContact O-N 3.29Å | ||
| 113 | E | 38.5 | Very low | 55.3 | Low | 158 Ų | 158 | 146.4 Ų | 146.4 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | trans | -98.8 | 87.8 | 157.2 | -106 | 171 | 171.3 | 0 | 0 | 106.9 | H111 | H111-E113 IonicContact CE1-OE1 3.37Å; H111-E113 PolarHBondContact CE1-OE1 2.95Å; H111-E113 VanDerWaalsContact CE1-OE1 3.29Å; H111-E113 IonicContact CE1-OE2 3.52Å; H111-E113 PolarHBondContact CE1-OE2 3.21Å; H111-E113 WeakPolarHBondContact ND1-CG 3.43Å; H111-E113 IonicContact ND1-OE1 3.16Å; H111-E113 IonicContact ND1-OE2 2.82Å; H111-E113 PolarHBondContact ND1-OE2 3.5Å; H111-E113 PolarHBondContact O-N 3.47Å | ||
| 114 | S | 51.3 | Low | 55.6 | Low | 94 Ų | 94 | 150.5 Ų | 150.5 | 66% | 0.657 | 73% | 0.73 | S | S | * | * | trans | -73.5 | 149.9 | 152.6 | -179.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 115 | D | 47.8 | Very low | 56.2 | Low | 147 Ų | 147 | 148.7 Ų | 148.7 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | trans | 72 | 90.6 | 174.8 | -79.1 | -29.1 | 0 | 0 | 0 | 117 | ||||
| 116 | V | 46.3 | Very low | 57 | Low | 133 Ų | 133 | 147.6 Ų | 147.6 | 81% | 0.806 | 72% | 0.724 | S | S | * | * | -158.4 | 90.4 | 105.7 | -176.3 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 117 | L | 50.3 | Low | 58 | Low | 183 Ų | 183 | 144.9 Ų | 144.9 | 96% | 0.958 | 72% | 0.716 | S | S | * | * | trans | -131.5 | 78.8 | 155.5 | -95.7 | 168.3 | 0 | 0 | 0 | 106.9 | ||||
| 118 | S | 42.2 | Very low | 59.4 | Low | 102 Ų | 102 | 142.8 Ų | 142.8 | 71% | 0.713 | 70% | 0.704 | S | S | * | * | trans | -118.7 | 119.2 | 177.5 | 78.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 119 | K | 51.8 | Low | 61 | Low | 203 Ų | 203 | 135 Ų | 135 | 88% | 0.883 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 70.2 | 67.9 | 161.9 | -71.2 | -179.4 | 174.8 | 176.6 | 0 | 119.1 | ||
| 120 | V | 51.6 | Low | 62.6 | Low | 106 Ų | 106 | 129.8 Ų | 129.8 | 64% | 0.642 | 67% | 0.666 | S | S | * | * | trans | -137.5 | 123.1 | 134.7 | -178.8 | 0 | 0 | 0 | 0 | 107.1 | F122 | V120-F122 VanDerWaalsContact C-N 3.25Å; V120-F122 HydrophobicContact CB-CD2 3.89Å; V120-F122 HydrophobicContact CB-CE2 3.49Å; V120-F122 VanDerWaalsContact CB-CE2 3.49Å; V120-F122 HydrophobicContact CB-CZ 4.03Å; V120-F122 HydrophobicContact CG1-CD1 4.29Å; V120-F122 HydrophobicContact CG1-CD2 3.8Å; V120-F122 HydrophobicContact CG1-CE1 3.99Å; V120-F122 HydrophobicContact CG1-CE2 3.47Å; V120-F122 VanDerWaalsContact CG1-CE2 3.47Å; V120-F122 HydrophobicContact CG1-CG 4.21Å; V120-F122 HydrophobicContact CG1-CZ 3.57Å; V120-F122 HydrophobicContact CG2-CE2 4.27Å; V120-F122 PolarHBondContact O-N 3.45Å | ||
| 121 | K | 57.8 | Low | 64.4 | Low | 215 Ų | 215 | 124.9 Ų | 124.9 | 94% | 0.935 | 65% | 0.648 | S | S | * | * | trans | -77 | 78.9 | 175.3 | -73.3 | -177 | 179.3 | 179.8 | 0 | 108.6 | ||||
| 122 | F | 53.5 | Low | 66.7 | Low | 134 Ų | 134 | 124.4 Ų | 124.4 | 59% | 0.588 | 65% | 0.646 | S | S | * | * | trans | -68.8 | 131.7 | 165.8 | -67.6 | -75.8 | 0 | 0 | 0 | 108.6 | V120 I127 | V120-F122 VanDerWaalsContact C-N 3.25Å; V120-F122 HydrophobicContact CB-CD2 3.89Å; V120-F122 HydrophobicContact CB-CE2 3.49Å; V120-F122 VanDerWaalsContact CB-CE2 3.49Å; V120-F122 HydrophobicContact CB-CZ 4.03Å; V120-F122 HydrophobicContact CG1-CD1 4.29Å; V120-F122 HydrophobicContact CG1-CD2 3.8Å; V120-F122 HydrophobicContact CG1-CE1 3.99Å; V120-F122 HydrophobicContact CG1-CE2 3.47Å; V120-F122 VanDerWaalsContact CG1-CE2 3.47Å; V120-F122 HydrophobicContact CG1-CG 4.21Å; V120-F122 HydrophobicContact CG1-CZ 3.57Å; V120-F122 HydrophobicContact CG2-CE2 4.27Å; V120-F122 PolarHBondContact O-N 3.45Å; F122-I127 HydrophobicContact CB-CD1 4.09Å; F122-I127 HydrophobicContact CB-CG1 3.92Å | ||
| 123 | S | 70 | Confident | 68.6 | Low | 47 Ų | 47 | 122 Ų | 122 | 33% | 0.329 | 63% | 0.63 | S | S | . | * | trans | -68.4 | 147.5 | 170.9 | 77.3 | 0 | 0 | 0 | 0 | 108.3 | T125 D126 I127 | S123-T125 PolarHBondContact O-N 3.31Å; S123-T125 PolarHBondContact OG-OG1 3.02Å; S123-D126 WeakPolarHBondContact CB-OD2 3.5Å; S123-D126 PolarHBondContact N-OD2 3.35Å; S123-D126 VanDerWaalsContact N-OD2 3.09Å; S123-D126 PolarHBondContact O-N 2.91Å; S123-D126 PolarHBondContact OG-N 2.93Å; S123-D126 PolarHBondContact OG-OD1 3.21Å; S123-D126 PolarHBondContact OG-OD2 2.95Å; S123-I127 PolarHBondContact O-N 2.99Å | ||
| 124 | R | 77.6 | Confident | 71.4 | Confident | 212 Ų | 212 | 118.6 Ų | 118.6 | 80% | 0.8 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -51.9 | -29.3 | 177.2 | -177.9 | 177 | 177 | 169.7 | -0.5 | 112.2 | I128 | R124-I128 HydrophobicContact CG-CD1 4.11Å; R124-I128 WeakPolarHBondContact O-CD1 3.31Å; R124-I128 VanDerWaalsContact O-CG1 3.23Å; R124-I128 WeakPolarHBondContact O-CG1 3.48Å; R124-I128 PolarHBondContact O-N 3.4Å |
| 125 | T | 81.8 | Confident | 73.5 | Confident | 100 Ų | 100 | 119 Ų | 119 | 61% | 0.613 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.2 | -41 | 175.3 | 15.6 | 0 | 0 | 0 | 0 | 113.9 | S123 I127 I128 S129 | S123-T125 PolarHBondContact O-N 3.31Å; S123-T125 PolarHBondContact OG-OG1 3.02Å; T125-I127 VanDerWaalsContact C-N 3.34Å; T125-I127 PolarHBondContact O-N 3.05Å; T125-I128 PolarHBondContact O-N 3.32Å; T125-S129 PolarHBondContact O-N 3.32Å |
| 126 | D | 83.3 | Confident | 75.8 | Confident | 87 Ų | 87 | 114.7 Ų | 114.7 | 47% | 0.465 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.6 | -39.1 | -179.7 | -56.1 | -40.8 | 0 | 0 | 0 | 111.2 | S123 S129 D130 | S123-D126 WeakPolarHBondContact CB-OD2 3.5Å; S123-D126 PolarHBondContact N-OD2 3.35Å; S123-D126 VanDerWaalsContact N-OD2 3.09Å; S123-D126 PolarHBondContact O-N 2.91Å; S123-D126 PolarHBondContact OG-N 2.93Å; S123-D126 PolarHBondContact OG-OD1 3.21Å; S123-D126 PolarHBondContact OG-OD2 2.95Å; D126-S129 PolarHBondContact O-N 3Å; D126-D130 PolarHBondContact O-N 3.01Å |
| 127 | I | 85.5 | Confident | 78.1 | Confident | 88 Ų | 88 | 113.6 Ų | 113.6 | 45% | 0.451 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.4 | -40 | 176.6 | -58.9 | 171.2 | 0 | 0 | 0 | 111 | F122 S123 T125 L131 | F122-I127 HydrophobicContact CB-CD1 4.09Å; F122-I127 HydrophobicContact CB-CG1 3.92Å; S123-I127 PolarHBondContact O-N 2.99Å; T125-I127 VanDerWaalsContact C-N 3.34Å; T125-I127 PolarHBondContact O-N 3.05Å; I127-L131 HydrophobicContact CG2-CD1 4.25Å; I127-L131 VanDerWaalsContact O-CG 3.31Å; I127-L131 WeakPolarHBondContact O-CG 3.47Å; I127-L131 PolarHBondContact O-N 2.85Å; I127-L131 VanDerWaalsContact O-N 3.13Å |
| 128 | I | 89 | Confident | 80.4 | Confident | 80 Ų | 80 | 109.8 Ų | 109.8 | 41% | 0.41 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.5 | -40.6 | 177.8 | -69.2 | 166 | 0 | 0 | 0 | 110.5 | R124 T125 L131 Q132 | R124-I128 HydrophobicContact CG-CD1 4.11Å; R124-I128 WeakPolarHBondContact O-CD1 3.31Å; R124-I128 VanDerWaalsContact O-CG1 3.23Å; R124-I128 WeakPolarHBondContact O-CG1 3.48Å; R124-I128 PolarHBondContact O-N 3.4Å; T125-I128 PolarHBondContact O-N 3.32Å; I128-L131 PolarHBondContact O-N 2.91Å; I128-Q132 HydrophobicContact CG2-CG 4.49Å; I128-Q132 WeakPolarHBondContact O-CB 3.48Å; I128-Q132 VanDerWaalsContact O-CG 3.31Å; I128-Q132 WeakPolarHBondContact O-CG 3.42Å; I128-Q132 PolarHBondContact O-N 3.38Å |
| 129 | S | 90.3 | Very high | 83 | Confident | 66 Ų | 66 | 109.7 Ų | 109.7 | 46% | 0.462 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 177.7 | -167.8 | 0 | 0 | 0 | 0 | 111.9 | T125 D126 L131 Q132 E133 | T125-S129 PolarHBondContact O-N 3.32Å; D126-S129 PolarHBondContact O-N 3Å; S129-L131 PolarHBondContact O-N 3.34Å; S129-Q132 PolarHBondContact O-N 2.93Å; S129-E133 WeakPolarHBondContact O-CB 3.41Å; S129-E133 PolarHBondContact O-N 2.86Å |
| 130 | D | 92.5 | Very high | 85.1 | Confident | 83 Ų | 83 | 102.5 Ų | 102.5 | 44% | 0.444 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 177.4 | -176.8 | 56.9 | 0 | 0 | 0 | 111.9 | D126 Q132 E133 Q134 | D126-D130 PolarHBondContact O-N 3.01Å; D130-Q132 PolarHBondContact O-N 3.35Å; D130-E133 PolarHBondContact O-N 2.89Å; D130-Q134 WeakPolarHBondContact O-CG 3.48Å; D130-Q134 PolarHBondContact O-N 2.86Å; D130-Q134 PolarHBondContact OD2-NE2 2.99Å |
| 131 | L | 94.1 | Very high | 87.3 | Confident | 88 Ų | 88 | 102 Ų | 102 | 46% | 0.461 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66 | -37.9 | 174.5 | -71.9 | 172.5 | 0 | 0 | 0 | 112.6 | I127 I128 S129 E133 I135 | I127-L131 HydrophobicContact CG2-CD1 4.25Å; I127-L131 VanDerWaalsContact O-CG 3.31Å; I127-L131 WeakPolarHBondContact O-CG 3.47Å; I127-L131 PolarHBondContact O-N 2.85Å; I127-L131 VanDerWaalsContact O-N 3.13Å; I128-L131 PolarHBondContact O-N 2.91Å; S129-L131 PolarHBondContact O-N 3.34Å; L131-E133 VanDerWaalsContact C-N 3.35Å; L131-I135 WeakPolarHBondContact O-CB 3.4Å; L131-I135 WeakPolarHBondContact O-CD1 3.43Å; L131-I135 WeakPolarHBondContact O-CG1 3.17Å; L131-I135 PolarHBondContact O-N 3.15Å |
| 132 | Q | 92.4 | Very high | 89.1 | Confident | 126 Ų | 126 | 96.4 Ų | 96.4 | 59% | 0.589 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66 | -38.9 | 175.1 | -77.1 | 175.9 | -36.4 | 0 | 0 | 111.7 | I128 S129 D130 I135 A136 | I128-Q132 HydrophobicContact CG2-CG 4.49Å; I128-Q132 WeakPolarHBondContact O-CB 3.48Å; I128-Q132 VanDerWaalsContact O-CG 3.31Å; I128-Q132 WeakPolarHBondContact O-CG 3.42Å; I128-Q132 PolarHBondContact O-N 3.38Å; S129-Q132 PolarHBondContact O-N 2.93Å; D130-Q132 PolarHBondContact O-N 3.35Å; Q132-I135 PolarHBondContact O-N 3.42Å; Q132-A136 WeakPolarHBondContact O-CB 3.25Å; Q132-A136 PolarHBondContact O-N 3.42Å |
| 133 | E | 93.9 | Very high | 91.2 | Very high | 109 Ų | 109 | 94.7 Ų | 94.7 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.7 | -47.9 | 174.7 | -174.8 | 166.3 | -160.3 | 0 | 0 | 111.3 | S129 D130 L131 I135 A136 E137 | S129-E133 WeakPolarHBondContact O-CB 3.41Å; S129-E133 PolarHBondContact O-N 2.86Å; D130-E133 PolarHBondContact O-N 2.89Å; L131-E133 VanDerWaalsContact C-N 3.35Å; E133-I135 VanDerWaalsContact C-N 3.29Å; E133-I135 PolarHBondContact O-N 3.46Å; E133-A136 CarbonylContact O-C 3.59Å; E133-A136 WeakPolarHBondContact O-CA 3.27Å; E133-A136 WeakPolarHBondContact O-CB 3.32Å; E133-A136 PolarHBondContact O-N 3.2Å; E133-E137 WeakPolarHBondContact O-CG 3.31Å; E133-E137 PolarHBondContact O-N 3.46Å |
| 134 | Q | 96.3 | Very high | 92.5 | Very high | 87 Ų | 87 | 96.3 Ų | 96.3 | 41% | 0.407 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.2 | -40.2 | 174.1 | -76.7 | 178.4 | 22.7 | 0 | 0 | 112.5 | D130 A136 E137 L138 | D130-Q134 WeakPolarHBondContact O-CG 3.48Å; D130-Q134 PolarHBondContact O-N 2.86Å; D130-Q134 PolarHBondContact OD2-NE2 2.99Å; Q134-A136 VanDerWaalsContact C-N 3.34Å; Q134-E137 PolarHBondContact O-N 3.36Å; Q134-L138 WeakPolarHBondContact O-CB 3.33Å; Q134-L138 VanDerWaalsContact O-CG 3.3Å; Q134-L138 WeakPolarHBondContact O-CG 3.4Å; Q134-L138 PolarHBondContact O-N 2.9Å |
| 135 | I | 95.2 | Very high | 93.4 | Very high | 103 Ų | 103 | 92 Ų | 92 | 53% | 0.528 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 174.9 | -71.5 | 165.1 | 0 | 0 | 0 | 110.4 | L131 Q132 E133 M139 | L131-I135 WeakPolarHBondContact O-CB 3.4Å; L131-I135 WeakPolarHBondContact O-CD1 3.43Å; L131-I135 WeakPolarHBondContact O-CG1 3.17Å; L131-I135 PolarHBondContact O-N 3.15Å; Q132-I135 PolarHBondContact O-N 3.42Å; E133-I135 VanDerWaalsContact C-N 3.29Å; E133-I135 PolarHBondContact O-N 3.46Å; I135-M139 HydrophobicContact CG2-CE 3.95Å; I135-M139 VanDerWaalsContact O-CB 3.27Å; I135-M139 WeakPolarHBondContact O-CB 3.3Å; I135-M139 PolarHBondContact O-N 3.42Å |
| 136 | A | 95.7 | Very high | 94.1 | Very high | 57 Ų | 57 | 91.1 Ų | 91.1 | 47% | 0.471 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q132 E133 Q134 M139 A140 | Q132-A136 WeakPolarHBondContact O-CB 3.25Å; Q132-A136 PolarHBondContact O-N 3.42Å; E133-A136 CarbonylContact O-C 3.59Å; E133-A136 WeakPolarHBondContact O-CA 3.27Å; E133-A136 WeakPolarHBondContact O-CB 3.32Å; E133-A136 PolarHBondContact O-N 3.2Å; Q134-A136 VanDerWaalsContact C-N 3.34Å; A136-M139 PolarHBondContact O-N 3.21Å; A136-A140 PolarHBondContact O-N 2.91Å |
| 137 | E | 96.4 | Very high | 94.8 | Very high | 109 Ų | 109 | 92.8 Ų | 92.8 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.4 | -48 | 176.3 | -71.8 | -174.5 | 167.5 | 0 | 0 | 111.9 | E133 Q134 M139 A140 I141 | E133-E137 WeakPolarHBondContact O-CG 3.31Å; E133-E137 PolarHBondContact O-N 3.46Å; Q134-E137 PolarHBondContact O-N 3.36Å; E137-M139 VanDerWaalsContact C-N 3.27Å; E137-M139 PolarHBondContact O-N 2.98Å; E137-A140 PolarHBondContact O-N 2.99Å; E137-I141 VanDerWaalsContact O-CG1 3.29Å; E137-I141 WeakPolarHBondContact O-CG1 3.35Å; E137-I141 PolarHBondContact O-N 2.89Å |
| 138 | L | 97.1 | Very high | 95.3 | Very high | 103 Ų | 103 | 92.8 Ų | 92.8 | 54% | 0.539 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.6 | -40 | 176.4 | -77.5 | 168.9 | 0 | 0 | 0 | 111.5 | Q134 I141 I142 | Q134-L138 WeakPolarHBondContact O-CB 3.33Å; Q134-L138 VanDerWaalsContact O-CG 3.3Å; Q134-L138 WeakPolarHBondContact O-CG 3.4Å; Q134-L138 PolarHBondContact O-N 2.9Å; L138-I141 PolarHBondContact O-N 3.49Å; L138-I142 VanDerWaalsContact O-CG1 3.25Å; L138-I142 WeakPolarHBondContact O-CG1 3.29Å; L138-I142 PolarHBondContact O-N 3.22Å |
| 139 | M | 96.4 | Very high | 95.7 | Very high | 100 Ų | 100 | 94.6 Ų | 94.6 | 49% | 0.493 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 176.7 | -163.3 | 177.9 | -43.5 | 0 | 0 | 111.4 | I135 A136 E137 I141 I142 E143 | I135-M139 HydrophobicContact CG2-CE 3.95Å; I135-M139 VanDerWaalsContact O-CB 3.27Å; I135-M139 WeakPolarHBondContact O-CB 3.3Å; I135-M139 PolarHBondContact O-N 3.42Å; A136-M139 PolarHBondContact O-N 3.21Å; E137-M139 VanDerWaalsContact C-N 3.27Å; E137-M139 PolarHBondContact O-N 2.98Å; M139-I141 VanDerWaalsContact C-N 3.34Å; M139-I141 PolarHBondContact O-N 3.45Å; M139-I142 PolarHBondContact O-N 3.4Å; M139-E143 WeakPolarHBondContact O-CG 3.39Å; M139-E143 PolarHBondContact O-N 3.41Å |
| 140 | A | 96.9 | Very high | 96 | Very high | 53 Ų | 53 | 98.1 Ų | 98.1 | 44% | 0.438 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A136 E137 E143 Q144 | A136-A140 PolarHBondContact O-N 2.91Å; E137-A140 PolarHBondContact O-N 2.99Å; A140-E143 PolarHBondContact O-N 2.94Å; A140-Q144 WeakPolarHBondContact O-CB 3.37Å; A140-Q144 PolarHBondContact O-N 3.42Å |
| 141 | I | 96.9 | Very high | 96.3 | Very high | 94 Ų | 94 | 97.8 Ų | 97.8 | 48% | 0.482 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -47.4 | 175.4 | -67.9 | 165.5 | 0 | 0 | 0 | 110.5 | E137 L138 M139 E143 Q144 M145 | E137-I141 VanDerWaalsContact O-CG1 3.29Å; E137-I141 WeakPolarHBondContact O-CG1 3.35Å; E137-I141 PolarHBondContact O-N 2.89Å; L138-I141 PolarHBondContact O-N 3.49Å; M139-I141 VanDerWaalsContact C-N 3.34Å; M139-I141 PolarHBondContact O-N 3.45Å; I141-E143 PolarHBondContact O-N 3.49Å; I141-Q144 PolarHBondContact O-N 3.37Å; I141-M145 HydrophobicContact CG2-CG 4.4Å; I141-M145 HydrophobicContact CG2-SD 4.07Å; I141-M145 WeakPolarHBondContact O-CB 3.45Å; I141-M145 WeakPolarHBondContact O-CG 3.47Å; I141-M145 PolarHBondContact O-N 2.85Å |
| 142 | I | 96.6 | Very high | 96.4 | Very high | 99 Ų | 99 | 96.3 Ų | 96.3 | 51% | 0.508 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 179.3 | -70.4 | 165.8 | 0 | 0 | 0 | 111 | L138 M139 Q144 M145 N146 | L138-I142 VanDerWaalsContact O-CG1 3.25Å; L138-I142 WeakPolarHBondContact O-CG1 3.29Å; L138-I142 PolarHBondContact O-N 3.22Å; M139-I142 PolarHBondContact O-N 3.4Å; I142-Q144 VanDerWaalsContact C-N 3.34Å; I142-Q144 PolarHBondContact O-N 3.47Å; I142-M145 PolarHBondContact O-N 2.81Å; I142-N146 WeakPolarHBondContact O-CB 3.5Å; I142-N146 PolarHBondContact O-N 3.3Å; I142-N146 PolarHBondContact O-ND2 3.28Å |
| 143 | E | 96.7 | Very high | 96.7 | Very high | 98 Ų | 98 | 95.2 Ų | 95.2 | 46% | 0.458 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 176.6 | -73.9 | -177.8 | -177.3 | 0 | 0 | 112.4 | M139 A140 I141 N146 R147 | M139-E143 WeakPolarHBondContact O-CG 3.39Å; M139-E143 PolarHBondContact O-N 3.41Å; A140-E143 PolarHBondContact O-N 2.94Å; I141-E143 PolarHBondContact O-N 3.49Å; E143-N146 PolarHBondContact O-N 3.32Å; E143-R147 WeakPolarHBondContact O-CG 3.37Å; E143-R147 PolarHBondContact O-N 2.92Å; E143-R147 IonicContact OE2-NH1 2.66Å |
| 144 | Q | 97.1 | Very high | 96.8 | Very high | 81 Ų | 81 | 96.6 Ų | 96.6 | 38% | 0.379 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 176.6 | -175.1 | 56.3 | 32.4 | 0 | 0 | 111.1 | A140 I141 I142 N146 R147 D148 | A140-Q144 WeakPolarHBondContact O-CB 3.37Å; A140-Q144 PolarHBondContact O-N 3.42Å; I141-Q144 PolarHBondContact O-N 3.37Å; I142-Q144 VanDerWaalsContact C-N 3.34Å; I142-Q144 PolarHBondContact O-N 3.47Å; Q144-N146 VanDerWaalsContact C-N 3.29Å; Q144-N146 PolarHBondContact O-N 2.96Å; Q144-R147 PolarHBondContact O-N 3.06Å; Q144-R147 VanDerWaalsContact O-N 3.15Å; Q144-D148 VanDerWaalsContact NE2-CG 3.34Å; Q144-D148 PolarHBondContact NE2-OD1 2.93Å; Q144-D148 PolarHBondContact NE2-OD2 3.5Å; Q144-D148 PolarHBondContact O-N 3.07Å |
| 145 | M | 96.7 | Very high | 96.9 | Very high | 121 Ų | 121 | 98.2 Ų | 98.2 | 60% | 0.596 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -57.3 | -41.9 | 174.9 | -74.5 | -179.3 | 64 | 0 | 0 | 112 | I141 I142 D148 Q149 | I141-M145 HydrophobicContact CG2-CG 4.4Å; I141-M145 HydrophobicContact CG2-SD 4.07Å; I141-M145 WeakPolarHBondContact O-CB 3.45Å; I141-M145 WeakPolarHBondContact O-CG 3.47Å; I141-M145 PolarHBondContact O-N 2.85Å; I142-M145 PolarHBondContact O-N 2.81Å; M145-D148 PolarHBondContact O-N 3.26Å; M145-Q149 VanDerWaalsContact O-CB 3.29Å; M145-Q149 WeakPolarHBondContact O-CB 3.29Å; M145-Q149 PolarHBondContact O-N 2.9Å |
| 146 | N | 97 | Very high | 97 | Very high | 82 Ų | 82 | 97.9 Ų | 97.9 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 176.8 | -80.3 | -31.3 | 0 | 0 | 0 | 112.2 | I142 E143 Q144 Q150 | I142-N146 WeakPolarHBondContact O-CB 3.5Å; I142-N146 PolarHBondContact O-N 3.3Å; I142-N146 PolarHBondContact O-ND2 3.28Å; E143-N146 PolarHBondContact O-N 3.32Å; Q144-N146 VanDerWaalsContact C-N 3.29Å; Q144-N146 PolarHBondContact O-N 2.96Å; N146-Q150 WeakPolarHBondContact O-CG 3.37Å; N146-Q150 PolarHBondContact O-N 3.16Å |
| 147 | R | 97.2 | Very high | 97.1 | Very high | 121 Ų | 121 | 98 Ų | 98 | 46% | 0.457 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 174.9 | -73.5 | -174.1 | -68.9 | -97.7 | 2.1 | 111.4 | E143 Q144 Q150 S151 | E143-R147 WeakPolarHBondContact O-CG 3.37Å; E143-R147 PolarHBondContact O-N 2.92Å; E143-R147 IonicContact OE2-NH1 2.66Å; Q144-R147 PolarHBondContact O-N 3.06Å; Q144-R147 VanDerWaalsContact O-N 3.15Å; R147-Q150 PolarHBondContact O-N 2.96Å; R147-S151 WeakPolarHBondContact O-CB 3.44Å; R147-S151 PolarHBondContact O-N 3.13Å |
| 148 | D | 97.4 | Very high | 97.2 | Very high | 88 Ų | 88 | 98.9 Ų | 98.9 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.1 | -40.8 | -180 | -68.5 | -23.5 | 0 | 0 | 0 | 111.5 | Q144 M145 S151 A152 | Q144-D148 VanDerWaalsContact NE2-CG 3.34Å; Q144-D148 PolarHBondContact NE2-OD1 2.93Å; Q144-D148 PolarHBondContact NE2-OD2 3.5Å; Q144-D148 PolarHBondContact O-N 3.07Å; M145-D148 PolarHBondContact O-N 3.26Å; D148-S151 WeakPolarHBondContact O-CB 3.38Å; D148-S151 PolarHBondContact O-N 2.94Å; D148-A152 WeakPolarHBondContact O-CB 3.33Å; D148-A152 PolarHBondContact O-N 2.88Å |
| 149 | Q | 97 | Very high | 97.3 | Very high | 119 Ų | 119 | 96.9 Ų | 96.9 | 56% | 0.556 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.8 | -45.3 | 174.3 | -177.7 | 176.1 | -25 | 0 | 0 | 111.7 | M145 A152 L153 | M145-Q149 VanDerWaalsContact O-CB 3.29Å; M145-Q149 WeakPolarHBondContact O-CB 3.29Å; M145-Q149 PolarHBondContact O-N 2.9Å; Q149-A152 PolarHBondContact O-N 2.82Å; Q149-L153 HydrophobicContact CG-CD1 4.25Å; Q149-L153 WeakPolarHBondContact O-CB 3.31Å; Q149-L153 VanDerWaalsContact O-CG 3.31Å; Q149-L153 WeakPolarHBondContact O-CG 3.48Å; Q149-L153 PolarHBondContact O-N 3.27Å |
| 150 | Q | 97.3 | Very high | 97.3 | Very high | 139 Ų | 139 | 96.4 Ų | 96.4 | 65% | 0.65 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64 | -40.3 | 176.6 | -74.1 | -179.2 | 7.5 | 0 | 0 | 112.2 | N146 R147 K154 | N146-Q150 WeakPolarHBondContact O-CG 3.37Å; N146-Q150 PolarHBondContact O-N 3.16Å; R147-Q150 PolarHBondContact O-N 2.96Å; Q150-K154 WeakPolarHBondContact O-CB 3.41Å; Q150-K154 PolarHBondContact O-N 3.46Å |
| 151 | S | 97.6 | Very high | 97.4 | Very high | 76 Ų | 76 | 98.5 Ų | 98.5 | 53% | 0.531 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.4 | -50 | 174 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | R147 D148 L153 K154 L155 | R147-S151 WeakPolarHBondContact O-CB 3.44Å; R147-S151 PolarHBondContact O-N 3.13Å; D148-S151 WeakPolarHBondContact O-CB 3.38Å; D148-S151 PolarHBondContact O-N 2.94Å; S151-L153 PolarHBondContact O-N 2.96Å; S151-K154 PolarHBondContact O-N 3.48Å; S151-L155 WeakPolarHBondContact O-CB 3.48Å; S151-L155 PolarHBondContact O-N 3.42Å |
| 152 | A | 97.6 | Very high | 97.4 | Very high | 58 Ų | 58 | 99.5 Ų | 99.5 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D148 Q149 K154 L155 L156 | D148-A152 WeakPolarHBondContact O-CB 3.33Å; D148-A152 PolarHBondContact O-N 2.88Å; Q149-A152 PolarHBondContact O-N 2.82Å; A152-K154 PolarHBondContact O-N 2.99Å; A152-L155 PolarHBondContact O-N 3.02Å; A152-L156 WeakPolarHBondContact O-CB 3.38Å; A152-L156 PolarHBondContact O-N 3.43Å |
| 153 | L | 97.1 | Very high | 97.5 | Very high | 102 Ų | 102 | 102.6 Ų | 102.6 | 53% | 0.534 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 175.9 | -73.1 | 172.8 | 0 | 0 | 0 | 112 | Q149 S151 L156 S157 | Q149-L153 HydrophobicContact CG-CD1 4.25Å; Q149-L153 WeakPolarHBondContact O-CB 3.31Å; Q149-L153 VanDerWaalsContact O-CG 3.31Å; Q149-L153 WeakPolarHBondContact O-CG 3.48Å; Q149-L153 PolarHBondContact O-N 3.27Å; S151-L153 PolarHBondContact O-N 2.96Å; L153-L156 PolarHBondContact O-N 3.39Å; L153-S157 WeakPolarHBondContact O-CB 3.41Å; L153-S157 PolarHBondContact O-N 3.41Å |
| 154 | K | 97.6 | Very high | 97.5 | Very high | 139 Ų | 139 | 102 Ų | 102 | 60% | 0.604 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.5 | -39 | 177.9 | -170.9 | 175.3 | -174.8 | 175.9 | 0 | 112 | Q150 S151 A152 K158 | Q150-K154 WeakPolarHBondContact O-CB 3.41Å; Q150-K154 PolarHBondContact O-N 3.46Å; S151-K154 PolarHBondContact O-N 3.48Å; A152-K154 PolarHBondContact O-N 2.99Å; K154-K158 WeakPolarHBondContact O-CG 3.33Å; K154-K158 PolarHBondContact O-N 2.74Å |
| 155 | L | 97.9 | Very high | 97.6 | Very high | 121 Ų | 121 | 101.7 Ų | 101.7 | 63% | 0.634 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.7 | -45.7 | 175.4 | -175.3 | 66.3 | 0 | 0 | 0 | 111 | S151 A152 S157 K158 D159 | S151-L155 WeakPolarHBondContact O-CB 3.48Å; S151-L155 PolarHBondContact O-N 3.42Å; A152-L155 PolarHBondContact O-N 3.02Å; L155-S157 VanDerWaalsContact C-N 3.34Å; L155-S157 PolarHBondContact O-N 2.81Å; L155-K158 PolarHBondContact O-N 2.9Å; L155-D159 PolarHBondContact O-N 3.15Å |
| 156 | L | 97.6 | Very high | 97.6 | Very high | 95 Ų | 95 | 99.5 Ų | 99.5 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 177.5 | -177.2 | 63.1 | 0 | 0 | 0 | 111.7 | A152 L153 K158 D159 L160 | A152-L156 WeakPolarHBondContact O-CB 3.38Å; A152-L156 PolarHBondContact O-N 3.43Å; L153-L156 PolarHBondContact O-N 3.39Å; L156-K158 VanDerWaalsContact C-N 3.33Å; L156-K158 PolarHBondContact O-N 3.41Å; L156-D159 PolarHBondContact O-N 2.91Å; L156-L160 HydrophobicContact CG-CD1 4.25Å; L156-L160 WeakPolarHBondContact O-CG 3.37Å; L156-L160 PolarHBondContact O-N 2.83Å |
| 157 | S | 97.9 | Very high | 97.7 | Very high | 61 Ų | 61 | 102 Ų | 102 | 43% | 0.427 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -56.7 | -46.6 | 174.6 | -172.7 | 0 | 0 | 0 | 0 | 111.6 | L153 L155 L160 D161 | L153-S157 WeakPolarHBondContact O-CB 3.41Å; L153-S157 PolarHBondContact O-N 3.41Å; L155-S157 VanDerWaalsContact C-N 3.34Å; L155-S157 PolarHBondContact O-N 2.81Å; S157-L160 PolarHBondContact O-N 3.14Å; S157-D161 VanDerWaalsContact O-CG 3.26Å; S157-D161 PolarHBondContact O-N 3.07Å |
| 158 | K | 98.1 | Very high | 97.7 | Very high | 127 Ų | 127 | 102.7 Ų | 102.7 | 55% | 0.552 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.6 | -39.8 | 178.7 | -70.6 | 174.2 | 178.3 | -175.4 | 0 | 112.7 | K154 L155 L156 L160 D161 L162 | K154-K158 WeakPolarHBondContact O-CG 3.33Å; K154-K158 PolarHBondContact O-N 2.74Å; L155-K158 PolarHBondContact O-N 2.9Å; L156-K158 VanDerWaalsContact C-N 3.33Å; L156-K158 PolarHBondContact O-N 3.41Å; K158-L160 VanDerWaalsContact C-N 3.35Å; K158-D161 PolarHBondContact O-N 3.29Å; K158-L162 WeakPolarHBondContact O-CB 3.35Å; K158-L162 PolarHBondContact O-N 3.03Å |
| 159 | D | 98.1 | Very high | 97.8 | Very high | 60 Ų | 60 | 104.6 Ų | 104.6 | 32% | 0.321 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 175.6 | -173.3 | 64.8 | 0 | 0 | 0 | 111 | L155 L156 L162 R163 | L155-D159 PolarHBondContact O-N 3.15Å; L156-D159 PolarHBondContact O-N 2.91Å; D159-L162 PolarHBondContact O-N 3.03Å; D159-R163 WeakPolarHBondContact O-CB 3.35Å; D159-R163 WeakPolarHBondContact O-CG 3.34Å; D159-R163 PolarHBondContact O-N 2.89Å; D159-R163 IonicContact OD1-NE 3.65Å; D159-R163 IonicContact OD2-CZ 2.97Å; D159-R163 IonicContact OD2-NE 2.66Å; D159-R163 PolarHBondContact OD2-NE 3.04Å; D159-R163 IonicContact OD2-NH2 3.35Å; D159-R163 PolarHBondContact OD2-NH2 3.42Å; D159-R163 VanDerWaalsContact OD2-NH2 3.16Å |
| 160 | L | 97.6 | Very high | 97.8 | Very high | 91 Ų | 91 | 104.4 Ų | 104.4 | 48% | 0.476 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 175.9 | -71 | 172.6 | 0 | 0 | 0 | 111.9 | L156 S157 K158 L162 R163 C164 | L156-L160 HydrophobicContact CG-CD1 4.25Å; L156-L160 WeakPolarHBondContact O-CG 3.37Å; L156-L160 PolarHBondContact O-N 2.83Å; S157-L160 PolarHBondContact O-N 3.14Å; K158-L160 VanDerWaalsContact C-N 3.35Å; L160-L162 VanDerWaalsContact C-N 3.31Å; L160-L162 PolarHBondContact O-N 3.33Å; L160-R163 PolarHBondContact O-N 3.43Å; L160-C164 WeakPolarHBondContact O-CB 3.49Å; L160-C164 PolarHBondContact O-N 2.95Å; L160-C164 PolarHBondContact O-SG 3.22Å |
| 161 | D | 97.9 | Very high | 97.9 | Very high | 97 Ų | 97 | 104.6 Ų | 104.6 | 52% | 0.519 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 177.3 | -69.2 | -31.4 | 0 | 0 | 0 | 111.8 | S157 K158 C164 S165 | S157-D161 VanDerWaalsContact O-CG 3.26Å; S157-D161 PolarHBondContact O-N 3.07Å; K158-D161 PolarHBondContact O-N 3.29Å; D161-C164 PolarHBondContact O-N 3.44Å; D161-S165 WeakPolarHBondContact O-CB 3.5Å; D161-S165 PolarHBondContact O-N 2.82Å; D161-S165 PolarHBondContact O-OG 2.91Å |
| 162 | L | 98.1 | Very high | 97.9 | Very high | 115 Ų | 115 | 105.3 Ų | 105.3 | 60% | 0.602 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.7 | -45.5 | 176.1 | -177.1 | 64.8 | 0 | 0 | 0 | 111.3 | K158 D159 L160 S165 N166 | K158-L162 WeakPolarHBondContact O-CB 3.35Å; K158-L162 PolarHBondContact O-N 3.03Å; D159-L162 PolarHBondContact O-N 3.03Å; L160-L162 VanDerWaalsContact C-N 3.31Å; L160-L162 PolarHBondContact O-N 3.33Å; L162-S165 PolarHBondContact O-N 3.49Å; L162-N166 WeakPolarHBondContact O-CB 3.07Å; L162-N166 PolarHBondContact O-N 3Å |
| 163 | R | 98 | Very high | 97.9 | Very high | 163 Ų | 163 | 104.8 Ų | 104.8 | 62% | 0.615 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.3 | -44 | 176.3 | -74.4 | -177 | -166.4 | -141.1 | 2.8 | 111.8 | D159 L160 S165 N166 M167 | D159-R163 WeakPolarHBondContact O-CB 3.35Å; D159-R163 WeakPolarHBondContact O-CG 3.34Å; D159-R163 PolarHBondContact O-N 2.89Å; D159-R163 IonicContact OD1-NE 3.65Å; D159-R163 IonicContact OD2-CZ 2.97Å; D159-R163 IonicContact OD2-NE 2.66Å; D159-R163 PolarHBondContact OD2-NE 3.04Å; D159-R163 IonicContact OD2-NH2 3.35Å; D159-R163 PolarHBondContact OD2-NH2 3.42Å; D159-R163 VanDerWaalsContact OD2-NH2 3.16Å; L160-R163 PolarHBondContact O-N 3.43Å; R163-S165 VanDerWaalsContact C-N 3.34Å; R163-S165 PolarHBondContact O-N 2.92Å; R163-N166 PolarHBondContact O-N 3.37Å; R163-M167 WeakPolarHBondContact O-CB 3.49Å; R163-M167 PolarHBondContact O-N 3.4Å |
| 164 | C | 97.4 | Very high | 98 | Very high | 86 Ų | 86 | 105.6 Ų | 105.6 | 58% | 0.581 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.1 | -44.7 | 175.7 | -80.7 | 0 | 0 | 0 | 0 | 111.4 | L160 D161 K168 | L160-C164 WeakPolarHBondContact O-CB 3.49Å; L160-C164 PolarHBondContact O-N 2.95Å; L160-C164 PolarHBondContact O-SG 3.22Å; D161-C164 PolarHBondContact O-N 3.44Å; C164-K168 VanDerWaalsContact O-CB 3.3Å; C164-K168 WeakPolarHBondContact O-CB 3.47Å; C164-K168 PolarHBondContact O-N 3.21Å |
| 165 | S | 98.1 | Very high | 98 | Very high | 74 Ų | 74 | 100.6 Ų | 100.6 | 52% | 0.517 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 178.5 | -59 | 0 | 0 | 0 | 0 | 112 | D161 L162 R163 K168 Q169 | D161-S165 WeakPolarHBondContact O-CB 3.5Å; D161-S165 PolarHBondContact O-N 2.82Å; D161-S165 PolarHBondContact O-OG 2.91Å; L162-S165 PolarHBondContact O-N 3.49Å; R163-S165 VanDerWaalsContact C-N 3.34Å; R163-S165 PolarHBondContact O-N 2.92Å; S165-K168 PolarHBondContact O-N 2.92Å; S165-Q169 WeakPolarHBondContact O-CB 3.35Å; S165-Q169 PolarHBondContact O-N 2.85Å |
| 166 | N | 98 | Very high | 98.1 | Very high | 75 Ų | 75 | 101.9 Ų | 101.9 | 40% | 0.401 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -47.4 | 178.1 | -170.7 | -58.5 | 0 | 0 | 0 | 111.4 | L162 R163 K168 Q169 K170 | L162-N166 WeakPolarHBondContact O-CB 3.07Å; L162-N166 PolarHBondContact O-N 3Å; R163-N166 PolarHBondContact O-N 3.37Å; N166-K168 VanDerWaalsContact C-N 3.32Å; N166-K168 PolarHBondContact O-N 3.29Å; N166-Q169 PolarHBondContact O-N 3.11Å; N166-K170 WeakPolarHBondContact O-CG 3.39Å; N166-K170 PolarHBondContact O-N 3.41Å; N166-K170 WeakPolarHBondContact OD1-CD 3.43Å; N166-K170 WeakPolarHBondContact OD1-CE 3.3Å |
| 167 | M | 98 | Very high | 98.1 | Very high | 134 Ų | 134 | 102.7 Ų | 102.7 | 66% | 0.66 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.1 | -43 | 178.8 | -169.1 | 67 | 73.4 | 0 | 0 | 111.4 | R163 K170 F171 | R163-M167 WeakPolarHBondContact O-CB 3.49Å; R163-M167 PolarHBondContact O-N 3.4Å; M167-K170 PolarHBondContact O-N 3.09Å; M167-F171 WeakPolarHBondContact O-CB 3.33Å; M167-F171 PolarHBondContact O-N 2.75Å |
| 168 | K | 98 | Very high | 98.1 | Very high | 136 Ų | 136 | 105.6 Ų | 105.6 | 59% | 0.591 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.7 | -47.2 | 176.5 | -176.1 | 176.1 | 177.2 | -178 | 0 | 111.5 | C164 S165 N166 K170 F171 E172 | C164-K168 VanDerWaalsContact O-CB 3.3Å; C164-K168 WeakPolarHBondContact O-CB 3.47Å; C164-K168 PolarHBondContact O-N 3.21Å; S165-K168 PolarHBondContact O-N 2.92Å; N166-K168 VanDerWaalsContact C-N 3.32Å; N166-K168 PolarHBondContact O-N 3.29Å; K168-K170 PolarHBondContact O-N 2.91Å; K168-F171 PolarHBondContact O-N 3.27Å; K168-E172 WeakPolarHBondContact CE-OE1 3.42Å; K168-E172 WeakPolarHBondContact O-CB 3.41Å; K168-E172 WeakPolarHBondContact O-CG 3.15Å; K168-E172 PolarHBondContact O-N 3.47Å |
| 169 | Q | 98.4 | Very high | 98.1 | Very high | 128 Ų | 128 | 106 Ų | 106 | 60% | 0.598 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.7 | -41.7 | 178.8 | -174.5 | -178.4 | 14.1 | 0 | 0 | 112.3 | S165 N166 E172 T173 | S165-Q169 WeakPolarHBondContact O-CB 3.35Å; S165-Q169 PolarHBondContact O-N 2.85Å; N166-Q169 PolarHBondContact O-N 3.11Å; Q169-E172 PolarHBondContact O-N 3Å; Q169-T173 WeakPolarHBondContact O-CB 3.46Å; Q169-T173 PolarHBondContact O-N 3.4Å; Q169-T173 PolarHBondContact O-OG1 3.39Å |
| 170 | K | 98.4 | Very high | 98.1 | Very high | 115 Ų | 115 | 107.9 Ų | 107.9 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.2 | -50.7 | 175.8 | -78.2 | -176.9 | 173.1 | -176.9 | 0 | 111.5 | N166 M167 K168 E172 T173 E174 | N166-K170 WeakPolarHBondContact O-CG 3.39Å; N166-K170 PolarHBondContact O-N 3.41Å; N166-K170 WeakPolarHBondContact OD1-CD 3.43Å; N166-K170 WeakPolarHBondContact OD1-CE 3.3Å; M167-K170 PolarHBondContact O-N 3.09Å; K168-K170 PolarHBondContact O-N 2.91Å; K170-E172 VanDerWaalsContact C-N 3.31Å; K170-E172 PolarHBondContact O-N 3.25Å; K170-T173 PolarHBondContact O-N 3.02Å; K170-T173 VanDerWaalsContact O-N 3.13Å; K170-E174 WeakPolarHBondContact O-CB 3.39Å; K170-E174 WeakPolarHBondContact O-CG 3.12Å; K170-E174 PolarHBondContact O-N 2.94Å |
| 171 | F | 98.2 | Very high | 98.2 | Very high | 144 Ų | 144 | 106.7 Ų | 106.7 | 63% | 0.632 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.5 | -43.6 | 177.6 | 179.4 | -96 | 0 | 0 | 0 | 112.2 | M167 K168 T173 S175 | M167-F171 WeakPolarHBondContact O-CB 3.33Å; M167-F171 PolarHBondContact O-N 2.75Å; K168-F171 PolarHBondContact O-N 3.27Å; F171-T173 VanDerWaalsContact C-N 3.32Å; F171-T173 PolarHBondContact O-N 3.12Å; F171-S175 WeakPolarHBondContact O-CB 3.47Å; F171-S175 PolarHBondContact O-N 3.26Å |
| 172 | E | 98.4 | Very high | 98.2 | Very high | 91 Ų | 91 | 106.9 Ų | 106.9 | 43% | 0.425 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 177 | -75.2 | 174.3 | -173 | 0 | 0 | 112.4 | K168 Q169 K170 R176 | K168-E172 WeakPolarHBondContact CE-OE1 3.42Å; K168-E172 WeakPolarHBondContact O-CB 3.41Å; K168-E172 WeakPolarHBondContact O-CG 3.15Å; K168-E172 PolarHBondContact O-N 3.47Å; Q169-E172 PolarHBondContact O-N 3Å; K170-E172 VanDerWaalsContact C-N 3.31Å; K170-E172 PolarHBondContact O-N 3.25Å; E172-R176 WeakPolarHBondContact O-CB 3.45Å; E172-R176 PolarHBondContact O-N 3.29Å |
| 173 | T | 98.3 | Very high | 98.2 | Very high | 46 Ų | 46 | 109.5 Ų | 109.5 | 28% | 0.282 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.5 | -52.4 | 179.7 | -53.8 | 0 | 0 | 0 | 0 | 110.7 | Q169 K170 F171 S175 R176 E177 | Q169-T173 WeakPolarHBondContact O-CB 3.46Å; Q169-T173 PolarHBondContact O-N 3.4Å; Q169-T173 PolarHBondContact O-OG1 3.39Å; K170-T173 PolarHBondContact O-N 3.02Å; K170-T173 VanDerWaalsContact O-N 3.13Å; F171-T173 VanDerWaalsContact C-N 3.32Å; F171-T173 PolarHBondContact O-N 3.12Å; T173-S175 VanDerWaalsContact C-N 3.29Å; T173-S175 PolarHBondContact O-N 3.29Å; T173-R176 WeakPolarHBondContact O-CB 3.38Å; T173-R176 PolarHBondContact O-N 2.93Å; T173-E177 WeakPolarHBondContact CG2-OE1 3.41Å; T173-E177 WeakPolarHBondContact O-CG 3.47Å; T173-E177 PolarHBondContact O-N 2.86Å |
| 174 | E | 98.4 | Very high | 98.2 | Very high | 119 Ų | 119 | 106.2 Ų | 106.2 | 56% | 0.556 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.1 | -40.5 | 176.9 | -70.3 | 171.4 | -172.3 | 0 | 0 | 111.4 | K170 R176 E177 L178 | K170-E174 WeakPolarHBondContact O-CB 3.39Å; K170-E174 WeakPolarHBondContact O-CG 3.12Å; K170-E174 PolarHBondContact O-N 2.94Å; E174-R176 VanDerWaalsContact C-N 3.32Å; E174-R176 PolarHBondContact O-N 2.9Å; E174-E177 PolarHBondContact O-N 2.99Å; E174-L178 VanDerWaalsContact O-CB 3.24Å; E174-L178 WeakPolarHBondContact O-CB 3.25Å; E174-L178 PolarHBondContact O-N 3.4Å |
| 175 | S | 97.8 | Very high | 98.3 | Very high | 34 Ų | 34 | 107.3 Ų | 107.3 | 24% | 0.238 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -65.1 | -35.5 | 175.9 | -172.1 | 0 | 0 | 0 | 0 | 112.4 | F171 T173 K179 | F171-S175 WeakPolarHBondContact O-CB 3.47Å; F171-S175 PolarHBondContact O-N 3.26Å; T173-S175 VanDerWaalsContact C-N 3.29Å; T173-S175 PolarHBondContact O-N 3.29Å; S175-K179 WeakPolarHBondContact O-CD 3.33Å; S175-K179 VanDerWaalsContact O-CG 3.25Å; S175-K179 WeakPolarHBondContact O-CG 3.24Å; S175-K179 PolarHBondContact O-N 2.93Å |
| 176 | R | 98.6 | Very high | 98.3 | Very high | 148 Ų | 148 | 108.1 Ų | 108.1 | 56% | 0.558 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.4 | -50.3 | 176.9 | -171.7 | -172.8 | -57.4 | 123.1 | 4.6 | 110.6 | E172 T173 E174 L178 K179 E180 | E172-R176 WeakPolarHBondContact O-CB 3.45Å; E172-R176 PolarHBondContact O-N 3.29Å; T173-R176 WeakPolarHBondContact O-CB 3.38Å; T173-R176 PolarHBondContact O-N 2.93Å; E174-R176 VanDerWaalsContact C-N 3.32Å; E174-R176 PolarHBondContact O-N 2.9Å; R176-L178 VanDerWaalsContact C-N 3.33Å; R176-L178 PolarHBondContact O-N 2.87Å; R176-K179 PolarHBondContact O-N 3.23Å; R176-K179 VanDerWaalsContact O-N 3.14Å; R176-E180 PolarHBondContact O-N 2.66Å |
| 177 | E | 98.4 | Very high | 98.3 | Very high | 112 Ų | 112 | 109.8 Ų | 109.8 | 52% | 0.523 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 179 | -70.9 | 173.1 | -175.5 | 0 | 0 | 111.5 | T173 E174 K179 E180 T181 | T173-E177 WeakPolarHBondContact CG2-OE1 3.41Å; T173-E177 WeakPolarHBondContact O-CG 3.47Å; T173-E177 PolarHBondContact O-N 2.86Å; E174-E177 PolarHBondContact O-N 2.99Å; E177-K179 VanDerWaalsContact C-N 3.32Å; E177-K179 PolarHBondContact O-N 3.33Å; E177-E180 PolarHBondContact O-N 2.83Å; E177-T181 WeakPolarHBondContact O-CB 3.48Å; E177-T181 WeakPolarHBondContact O-CG2 3.47Å; E177-T181 PolarHBondContact O-N 3.46Å; E177-T181 PolarHBondContact O-OG1 3.03Å |
| 178 | L | 98.3 | Very high | 98.3 | Very high | 122 Ų | 122 | 109.4 Ų | 109.4 | 64% | 0.639 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62 | -38.5 | 176.1 | -176.3 | 63 | 0 | 0 | 0 | 112.6 | E174 R176 T181 H182 | E174-L178 VanDerWaalsContact O-CB 3.24Å; E174-L178 WeakPolarHBondContact O-CB 3.25Å; E174-L178 PolarHBondContact O-N 3.4Å; R176-L178 VanDerWaalsContact C-N 3.33Å; R176-L178 PolarHBondContact O-N 2.87Å; L178-T181 WeakPolarHBondContact CA-OG1 3.37Å; L178-T181 PolarHBondContact O-OG1 3.22Å; L178-H182 VanDerWaalsContact O-CB 3.26Å; L178-H182 WeakPolarHBondContact O-CB 3.42Å; L178-H182 PolarHBondContact O-N 2.87Å; L178-H182 VanDerWaalsContact O-N 3.12Å |
| 179 | K | 98.2 | Very high | 98.4 | Very high | 136 Ų | 136 | 106.9 Ų | 106.9 | 59% | 0.591 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -71.5 | -34.5 | 177.3 | -75.9 | 169.7 | -177.6 | 165.4 | 0 | 112.3 | S175 R176 E177 R183 | S175-K179 WeakPolarHBondContact O-CD 3.33Å; S175-K179 VanDerWaalsContact O-CG 3.25Å; S175-K179 WeakPolarHBondContact O-CG 3.24Å; S175-K179 PolarHBondContact O-N 2.93Å; R176-K179 PolarHBondContact O-N 3.23Å; R176-K179 VanDerWaalsContact O-N 3.14Å; E177-K179 VanDerWaalsContact C-N 3.32Å; E177-K179 PolarHBondContact O-N 3.33Å; K179-R183 WeakPolarHBondContact O-CB 3.4Å; K179-R183 PolarHBondContact O-N 3.33Å; K179-R183 VanDerWaalsContact O-N 3.11Å |
| 180 | E | 98.5 | Very high | 98.4 | Very high | 100 Ų | 100 | 105.8 Ų | 105.8 | 47% | 0.467 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.3 | -52.2 | 179 | -175.1 | 163 | -150.5 | 0 | 0 | 111 | R176 E177 H182 R183 E184 | R176-E180 PolarHBondContact O-N 2.66Å; E177-E180 PolarHBondContact O-N 2.83Å; E180-H182 VanDerWaalsContact C-N 3.29Å; E180-H182 PolarHBondContact O-N 3.44Å; E180-R183 WeakPolarHBondContact O-CA 3.49Å; E180-R183 WeakPolarHBondContact O-CB 3.34Å; E180-R183 PolarHBondContact O-N 3.42Å; E180-E184 WeakPolarHBondContact O-CG 3.12Å; E180-E184 PolarHBondContact O-N 2.94Å |
| 181 | T | 98.3 | Very high | 98.4 | Very high | 65 Ų | 65 | 103.4 Ų | 103.4 | 40% | 0.399 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -54.5 | -44.5 | 173.8 | 50.3 | 0 | 0 | 0 | 0 | 112.1 | E177 L178 R183 E184 E185 | E177-T181 WeakPolarHBondContact O-CB 3.48Å; E177-T181 WeakPolarHBondContact O-CG2 3.47Å; E177-T181 PolarHBondContact O-N 3.46Å; E177-T181 PolarHBondContact O-OG1 3.03Å; L178-T181 WeakPolarHBondContact CA-OG1 3.37Å; L178-T181 PolarHBondContact O-OG1 3.22Å; T181-R183 VanDerWaalsContact C-N 3.33Å; T181-R183 PolarHBondContact O-N 2.9Å; T181-E184 PolarHBondContact O-N 3.35Å; T181-E185 WeakPolarHBondContact O-CG 3.26Å; T181-E185 PolarHBondContact O-N 3.32Å |
| 182 | H | 98.3 | Very high | 98.4 | Very high | 102 Ų | 102 | 100.8 Ų | 100.8 | 47% | 0.472 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 176.4 | -177.7 | 58.6 | 0 | 0 | 0 | 112.6 | L178 E180 E185 L186 | L178-H182 VanDerWaalsContact O-CB 3.26Å; L178-H182 WeakPolarHBondContact O-CB 3.42Å; L178-H182 PolarHBondContact O-N 2.87Å; L178-H182 VanDerWaalsContact O-N 3.12Å; E180-H182 VanDerWaalsContact C-N 3.29Å; E180-H182 PolarHBondContact O-N 3.44Å; H182-E185 PolarHBondContact O-N 2.87Å; H182-L186 WeakPolarHBondContact NE2-CD1 3.37Å; H182-L186 WeakPolarHBondContact O-CG 3.33Å; H182-L186 PolarHBondContact O-N 2.88Å |
| 183 | R | 98.5 | Very high | 98.4 | Very high | 170 Ų | 170 | 104 Ų | 104 | 64% | 0.642 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.1 | -46.2 | 175.9 | -175.9 | -167.5 | -57.1 | 176.7 | 3.4 | 111.2 | K179 E180 T181 E185 L186 E187 | K179-R183 WeakPolarHBondContact O-CB 3.4Å; K179-R183 PolarHBondContact O-N 3.33Å; K179-R183 VanDerWaalsContact O-N 3.11Å; E180-R183 WeakPolarHBondContact O-CA 3.49Å; E180-R183 WeakPolarHBondContact O-CB 3.34Å; E180-R183 PolarHBondContact O-N 3.42Å; T181-R183 VanDerWaalsContact C-N 3.33Å; T181-R183 PolarHBondContact O-N 2.9Å; R183-E185 VanDerWaalsContact C-N 3.32Å; R183-E185 PolarHBondContact O-N 3.49Å; R183-L186 PolarHBondContact O-N 3.46Å; R183-E187 WeakPolarHBondContact O-CB 3.42Å; R183-E187 PolarHBondContact O-N 2.91Å |
| 184 | E | 98.6 | Very high | 98.4 | Very high | 94 Ų | 94 | 107 Ų | 107 | 44% | 0.439 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 178.3 | -69 | 176.2 | 178.2 | 0 | 0 | 112 | E180 T181 E187 R188 | E180-E184 WeakPolarHBondContact O-CG 3.12Å; E180-E184 PolarHBondContact O-N 2.94Å; T181-E184 PolarHBondContact O-N 3.35Å; E184-E187 PolarHBondContact O-N 2.9Å; E184-R188 VanDerWaalsContact O-CB 3.24Å; E184-R188 WeakPolarHBondContact O-CB 3.41Å; E184-R188 PolarHBondContact O-N 3.45Å |
| 185 | E | 98.3 | Very high | 98.4 | Very high | 108 Ų | 108 | 107.7 Ų | 107.7 | 51% | 0.505 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 174.6 | -75.4 | 179.7 | 171.5 | 0 | 0 | 112.3 | T181 H182 R183 R188 L189 | T181-E185 WeakPolarHBondContact O-CG 3.26Å; T181-E185 PolarHBondContact O-N 3.32Å; H182-E185 PolarHBondContact O-N 2.87Å; R183-E185 VanDerWaalsContact C-N 3.32Å; R183-E185 PolarHBondContact O-N 3.49Å; E185-R188 PolarHBondContact O-N 2.86Å; E185-L189 VanDerWaalsContact O-CB 3.26Å; E185-L189 WeakPolarHBondContact O-CB 3.26Å; E185-L189 PolarHBondContact O-N 2.94Å |
| 186 | L | 98.4 | Very high | 98.5 | Very high | 91 Ų | 91 | 108.7 Ų | 108.7 | 48% | 0.476 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 176.2 | -74.1 | 177.4 | 0 | 0 | 0 | 111.8 | H182 R183 L189 E190 | H182-L186 WeakPolarHBondContact NE2-CD1 3.37Å; H182-L186 WeakPolarHBondContact O-CG 3.33Å; H182-L186 PolarHBondContact O-N 2.88Å; R183-L186 PolarHBondContact O-N 3.46Å; L186-L189 PolarHBondContact O-N 3.48Å; L186-E190 WeakPolarHBondContact O-CB 3.46Å; L186-E190 PolarHBondContact O-N 3.3Å |
| 187 | E | 98.6 | Very high | 98.5 | Very high | 110 Ų | 110 | 106 Ų | 106 | 51% | 0.514 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 178.3 | -178 | 172.9 | -166.4 | 0 | 0 | 111.3 | R183 E184 L189 E190 N191 | R183-E187 WeakPolarHBondContact O-CB 3.42Å; R183-E187 PolarHBondContact O-N 2.91Å; E184-E187 PolarHBondContact O-N 2.9Å; E187-L189 VanDerWaalsContact C-N 3.34Å; E187-L189 PolarHBondContact O-N 3.34Å; E187-E190 PolarHBondContact O-N 3.49Å; E187-N191 WeakPolarHBondContact O-CB 3.26Å; E187-N191 VanDerWaalsContact O-CG 3.23Å; E187-N191 PolarHBondContact O-N 3.42Å; E187-N191 PolarHBondContact O-ND2 3.42Å |
| 188 | R | 98.6 | Very high | 98.5 | Very high | 127 Ų | 127 | 108.3 Ų | 108.3 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 175.6 | -165.6 | -170.8 | -42.5 | 110.1 | 7.4 | 111.4 | E184 E185 N191 N192 | E184-R188 VanDerWaalsContact O-CB 3.24Å; E184-R188 WeakPolarHBondContact O-CB 3.41Å; E184-R188 PolarHBondContact O-N 3.45Å; E185-R188 PolarHBondContact O-N 2.86Å; R188-N191 PolarHBondContact O-N 2.9Å; R188-N192 WeakPolarHBondContact O-CB 3.41Å; R188-N192 PolarHBondContact O-N 3.1Å; R188-N192 PolarHBondContact O-ND2 3.17Å |
| 189 | L | 98.4 | Very high | 98.5 | Very high | 83 Ų | 83 | 105.5 Ų | 105.5 | 44% | 0.435 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 178.3 | -175.4 | 62.1 | 0 | 0 | 0 | 111.4 | E185 L186 E187 N191 N192 Y193 | E185-L189 VanDerWaalsContact O-CB 3.26Å; E185-L189 WeakPolarHBondContact O-CB 3.26Å; E185-L189 PolarHBondContact O-N 2.94Å; L186-L189 PolarHBondContact O-N 3.48Å; E187-L189 VanDerWaalsContact C-N 3.34Å; E187-L189 PolarHBondContact O-N 3.34Å; L189-N191 VanDerWaalsContact C-N 3.35Å; L189-N191 PolarHBondContact O-N 3.41Å; L189-N192 PolarHBondContact O-N 2.89Å; L189-Y193 HydrophobicContact CD1-CD2 3.94Å; L189-Y193 HydrophobicContact CD1-CE2 3.47Å; L189-Y193 VanDerWaalsContact CD1-CE2 3.47Å; L189-Y193 HydrophobicContact CD2-CE2 4.15Å; L189-Y193 HydrophobicContact CG-CD2 3.86Å; L189-Y193 HydrophobicContact CG-CE2 3.61Å; L189-Y193 WeakPolarHBondContact O-CD2 3.49Å; L189-Y193 PolarHBondContact O-N 2.9Å |
| 190 | E | 98.5 | Very high | 98.5 | Very high | 105 Ų | 105 | 105.5 Ų | 105.5 | 49% | 0.491 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 176.4 | -172.5 | -176.2 | 170.1 | 0 | 0 | 111.4 | L186 E187 Y193 K194 | L186-E190 WeakPolarHBondContact O-CB 3.46Å; L186-E190 PolarHBondContact O-N 3.3Å; E187-E190 PolarHBondContact O-N 3.49Å; E190-Y193 PolarHBondContact O-N 3.15Å; E190-K194 VanDerWaalsContact CD-NZ 3.31Å; E190-K194 HydrophobicContact CG-CD 4.33Å; E190-K194 WeakPolarHBondContact O-CG 3.41Å; E190-K194 PolarHBondContact O-N 2.99Å; E190-K194 WeakPolarHBondContact OE1-CE 3.24Å; E190-K194 IonicContact OE1-NZ 3.25Å; E190-K194 PolarHBondContact OE1-NZ 2.98Å |
| 191 | N | 98.6 | Very high | 98.5 | Very high | 64 Ų | 64 | 107 Ų | 107 | 34% | 0.342 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 177.2 | -70.8 | -24.1 | 0 | 0 | 0 | 111.6 | E187 R188 L189 Y193 K194 E195 | E187-N191 WeakPolarHBondContact O-CB 3.26Å; E187-N191 VanDerWaalsContact O-CG 3.23Å; E187-N191 PolarHBondContact O-N 3.42Å; E187-N191 PolarHBondContact O-ND2 3.42Å; R188-N191 PolarHBondContact O-N 2.9Å; L189-N191 VanDerWaalsContact C-N 3.35Å; L189-N191 PolarHBondContact O-N 3.41Å; N191-Y193 VanDerWaalsContact C-N 3.34Å; N191-Y193 PolarHBondContact O-N 2.91Å; N191-K194 WeakPolarHBondContact O-CB 3.2Å; N191-K194 PolarHBondContact O-N 3.34Å; N191-K194 VanDerWaalsContact O-N 3.17Å; N191-E195 WeakPolarHBondContact O-CG 3.34Å; N191-E195 PolarHBondContact O-N 3.24Å |
| 192 | N | 98.5 | Very high | 98.5 | Very high | 89 Ų | 89 | 106.5 Ų | 106.5 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.3 | -44.1 | 175 | -72.2 | -18.9 | 0 | 0 | 0 | 112 | R188 L189 E195 A196 | R188-N192 WeakPolarHBondContact O-CB 3.41Å; R188-N192 PolarHBondContact O-N 3.1Å; R188-N192 PolarHBondContact O-ND2 3.17Å; L189-N192 PolarHBondContact O-N 2.89Å; N192-E195 PolarHBondContact O-N 2.99Å; N192-A196 WeakPolarHBondContact O-CB 3.33Å; N192-A196 PolarHBondContact O-N 2.94Å |
| 193 | Y | 98.5 | Very high | 98.5 | Very high | 160 Ų | 160 | 107.2 Ų | 107.2 | 63% | 0.627 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66 | -39.5 | 176.4 | -82.3 | -63.4 | 0 | 0 | 0 | 112.5 | L189 E190 N191 E195 L197 | L189-Y193 HydrophobicContact CD1-CD2 3.94Å; L189-Y193 HydrophobicContact CD1-CE2 3.47Å; L189-Y193 VanDerWaalsContact CD1-CE2 3.47Å; L189-Y193 HydrophobicContact CD2-CE2 4.15Å; L189-Y193 HydrophobicContact CG-CD2 3.86Å; L189-Y193 HydrophobicContact CG-CE2 3.61Å; L189-Y193 WeakPolarHBondContact O-CD2 3.49Å; L189-Y193 PolarHBondContact O-N 2.9Å; E190-Y193 PolarHBondContact O-N 3.15Å; N191-Y193 VanDerWaalsContact C-N 3.34Å; N191-Y193 PolarHBondContact O-N 2.91Å; Y193-E195 VanDerWaalsContact C-N 3.35Å; Y193-L197 WeakPolarHBondContact O-CB 3.41Å; Y193-L197 PolarHBondContact O-N 3.39Å |
| 194 | K | 98.7 | Very high | 98.5 | Very high | 109 Ų | 109 | 101.9 Ų | 101.9 | 47% | 0.474 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 175.5 | -76 | 171.6 | -178 | 164.1 | 0 | 111.4 | E190 N191 K198 | E190-K194 VanDerWaalsContact CD-NZ 3.31Å; E190-K194 HydrophobicContact CG-CD 4.33Å; E190-K194 WeakPolarHBondContact O-CG 3.41Å; E190-K194 PolarHBondContact O-N 2.99Å; E190-K194 WeakPolarHBondContact OE1-CE 3.24Å; E190-K194 IonicContact OE1-NZ 3.25Å; E190-K194 PolarHBondContact OE1-NZ 2.98Å; N191-K194 WeakPolarHBondContact O-CB 3.2Å; N191-K194 PolarHBondContact O-N 3.34Å; N191-K194 VanDerWaalsContact O-N 3.17Å; K194-K198 WeakPolarHBondContact O-CB 3.21Å; K194-K198 PolarHBondContact O-N 3.49Å |
| 195 | E | 98.6 | Very high | 98.5 | Very high | 133 Ų | 133 | 104.3 Ų | 104.3 | 62% | 0.621 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.9 | -47.8 | 177.5 | -73.2 | 179.4 | -174.6 | 0 | 0 | 111.9 | N191 N192 Y193 L197 K198 A199 | N191-E195 WeakPolarHBondContact O-CG 3.34Å; N191-E195 PolarHBondContact O-N 3.24Å; N192-E195 PolarHBondContact O-N 2.99Å; Y193-E195 VanDerWaalsContact C-N 3.35Å; E195-L197 VanDerWaalsContact C-N 3.32Å; E195-L197 PolarHBondContact O-N 3.39Å; E195-K198 PolarHBondContact O-N 3.5Å; E195-K198 VanDerWaalsContact O-N 3.15Å; E195-A199 PolarHBondContact O-N 3.02Å |
| 196 | A | 98.6 | Very high | 98.5 | Very high | 54 Ų | 54 | 105.6 Ų | 105.6 | 45% | 0.446 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.6 | -44.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N192 K198 A199 E200 | N192-A196 WeakPolarHBondContact O-CB 3.33Å; N192-A196 PolarHBondContact O-N 2.94Å; A196-K198 VanDerWaalsContact C-N 3.33Å; A196-K198 PolarHBondContact O-N 2.95Å; A196-A199 PolarHBondContact O-N 3.4Å; A196-E200 WeakPolarHBondContact O-CB 3.27Å; A196-E200 PolarHBondContact O-N 3.29Å |
| 197 | L | 98.4 | Very high | 98.5 | Very high | 91 Ų | 91 | 108.3 Ų | 108.3 | 48% | 0.476 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 176.7 | -179.6 | 63.5 | 0 | 0 | 0 | 112.1 | Y193 E195 K201 | Y193-L197 WeakPolarHBondContact O-CB 3.41Å; Y193-L197 PolarHBondContact O-N 3.39Å; E195-L197 VanDerWaalsContact C-N 3.32Å; E195-L197 PolarHBondContact O-N 3.39Å; L197-K201 HydrophobicContact CG-CD 4.36Å; L197-K201 WeakPolarHBondContact O-CB 3.48Å; L197-K201 VanDerWaalsContact O-CG 3.27Å; L197-K201 WeakPolarHBondContact O-CG 3.44Å; L197-K201 PolarHBondContact O-N 3.32Å |
| 198 | K | 98.6 | Very high | 98.5 | Very high | 162 Ų | 162 | 109 Ų | 109 | 70% | 0.704 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.1 | -43.1 | 177 | -173.3 | -178.3 | 177.9 | -175 | 0 | 111.2 | K194 E195 A196 K201 A202 | K194-K198 WeakPolarHBondContact O-CB 3.21Å; K194-K198 PolarHBondContact O-N 3.49Å; E195-K198 PolarHBondContact O-N 3.5Å; E195-K198 VanDerWaalsContact O-N 3.15Å; A196-K198 VanDerWaalsContact C-N 3.33Å; A196-K198 PolarHBondContact O-N 2.95Å; K198-K201 PolarHBondContact O-N 3.04Å; K198-A202 PolarHBondContact O-N 3.48Å |
| 199 | A | 98.6 | Very high | 98.5 | Very high | 63 Ų | 63 | 106.5 Ų | 106.5 | 52% | 0.521 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E195 A196 A202 L203 | E195-A199 PolarHBondContact O-N 3.02Å; A196-A199 PolarHBondContact O-N 3.4Å; A199-A202 PolarHBondContact O-N 2.89Å; A199-L203 WeakPolarHBondContact O-CB 3.41Å; A199-L203 PolarHBondContact O-N 3.29Å |
| 200 | E | 98.3 | Very high | 98.5 | Very high | 136 Ų | 136 | 108.7 Ų | 108.7 | 64% | 0.636 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.8 | -38.6 | 179.2 | -170.9 | 164.6 | -174.5 | 0 | 0 | 112.3 | A196 L203 A204 | A196-E200 WeakPolarHBondContact O-CB 3.27Å; A196-E200 PolarHBondContact O-N 3.29Å; E200-L203 PolarHBondContact O-N 2.94Å; E200-A204 WeakPolarHBondContact O-CB 3.41Å; E200-A204 PolarHBondContact O-N 3.43Å |
| 201 | K | 98.5 | Very high | 98.5 | Very high | 130 Ų | 130 | 108.8 Ų | 108.8 | 57% | 0.565 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.6 | -45.9 | 171.8 | -77.5 | 176.2 | 178.9 | -179.1 | 0 | 112.1 | L197 K198 L203 A204 E205 | L197-K201 HydrophobicContact CG-CD 4.36Å; L197-K201 WeakPolarHBondContact O-CB 3.48Å; L197-K201 VanDerWaalsContact O-CG 3.27Å; L197-K201 WeakPolarHBondContact O-CG 3.44Å; L197-K201 PolarHBondContact O-N 3.32Å; K198-K201 PolarHBondContact O-N 3.04Å; K201-L203 PolarHBondContact O-N 3.43Å; K201-A204 PolarHBondContact O-N 3.3Å; K201-E205 WeakPolarHBondContact O-CB 3.12Å; K201-E205 PolarHBondContact O-N 2.94Å |
| 202 | A | 98.6 | Very high | 98.5 | Very high | 56 Ų | 56 | 107.9 Ų | 107.9 | 46% | 0.463 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K198 A199 A204 E205 E206 | K198-A202 PolarHBondContact O-N 3.48Å; A199-A202 PolarHBondContact O-N 2.89Å; A202-A204 PolarHBondContact O-N 3.29Å; A202-E205 PolarHBondContact O-N 3.07Å; A202-E206 PolarHBondContact O-N 2.63Å |
| 203 | L | 98.6 | Very high | 98.5 | Very high | 116 Ų | 116 | 109.5 Ų | 109.5 | 61% | 0.607 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.5 | -41.8 | 175.9 | -176.3 | 69.7 | 0 | 0 | 0 | 112.1 | A199 E200 K201 K207 | A199-L203 WeakPolarHBondContact O-CB 3.41Å; A199-L203 PolarHBondContact O-N 3.29Å; E200-L203 PolarHBondContact O-N 2.94Å; K201-L203 PolarHBondContact O-N 3.43Å; L203-K207 WeakPolarHBondContact O-CB 3.47Å; L203-K207 PolarHBondContact O-N 2.99Å |
| 204 | A | 98.4 | Very high | 98.5 | Very high | 59 Ų | 59 | 106.3 Ų | 106.3 | 49% | 0.488 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | E200 K201 A202 K207 L208 | E200-A204 WeakPolarHBondContact O-CB 3.41Å; E200-A204 PolarHBondContact O-N 3.43Å; K201-A204 PolarHBondContact O-N 3.3Å; A202-A204 PolarHBondContact O-N 3.29Å; A204-K207 PolarHBondContact O-N 2.92Å; A204-L208 WeakPolarHBondContact O-CB 3.38Å; A204-L208 PolarHBondContact O-N 3.05Å |
| 205 | E | 98.6 | Very high | 98.5 | Very high | 145 Ų | 145 | 108.2 Ų | 108.2 | 68% | 0.678 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.6 | -43.7 | 177.3 | -171.8 | 164.9 | -154 | 0 | 0 | 111.9 | K201 A202 K207 L208 D209 | K201-E205 WeakPolarHBondContact O-CB 3.12Å; K201-E205 PolarHBondContact O-N 2.94Å; A202-E205 PolarHBondContact O-N 3.07Å; E205-K207 VanDerWaalsContact C-N 3.34Å; E205-K207 PolarHBondContact O-N 3.41Å; E205-L208 PolarHBondContact O-N 3.4Å; E205-D209 PolarHBondContact O-N 3Å |
| 206 | E | 98.5 | Very high | 98.5 | Very high | 135 Ų | 135 | 108 Ų | 108 | 63% | 0.631 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -58.3 | -45.7 | 173.3 | -175.2 | -171.7 | 170.3 | 0 | 0 | 111.5 | A202 L208 D209 K210 | A202-E206 PolarHBondContact O-N 2.63Å; E206-L208 VanDerWaalsContact C-N 3.3Å; E206-L208 PolarHBondContact O-N 2.96Å; E206-D209 PolarHBondContact O-N 3.27Å; E206-K210 PolarHBondContact O-N 3.17Å |
| 207 | K | 98.6 | Very high | 98.5 | Very high | 147 Ų | 147 | 112.8 Ų | 112.8 | 64% | 0.639 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.1 | -40.8 | 177.1 | -174.5 | 176.3 | -178.8 | 178.6 | 0 | 111.5 | L203 A204 E205 K210 M211 | L203-K207 WeakPolarHBondContact O-CB 3.47Å; L203-K207 PolarHBondContact O-N 2.99Å; A204-K207 PolarHBondContact O-N 2.92Å; E205-K207 VanDerWaalsContact C-N 3.34Å; E205-K207 PolarHBondContact O-N 3.41Å; K207-K210 PolarHBondContact O-N 2.91Å; K207-M211 VanDerWaalsContact O-CG 3.28Å; K207-M211 WeakPolarHBondContact O-CG 3.42Å; K207-M211 PolarHBondContact O-N 3.19Å |
| 208 | L | 98.5 | Very high | 98.5 | Very high | 126 Ų | 126 | 113 Ų | 113 | 66% | 0.66 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.5 | -42.6 | 178 | -175.8 | 137.2 | 0 | 0 | 0 | 111.8 | A204 E205 E206 M211 S212 | A204-L208 WeakPolarHBondContact O-CB 3.38Å; A204-L208 PolarHBondContact O-N 3.05Å; E205-L208 PolarHBondContact O-N 3.4Å; E206-L208 VanDerWaalsContact C-N 3.3Å; E206-L208 PolarHBondContact O-N 2.96Å; L208-M211 PolarHBondContact O-N 2.97Å; L208-S212 WeakPolarHBondContact O-CB 3.33Å; L208-S212 PolarHBondContact O-N 3.48Å |
| 209 | D | 98.5 | Very high | 98.5 | Very high | 74 Ų | 74 | 110.3 Ų | 110.3 | 40% | 0.396 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 175.4 | 179.4 | 56.2 | 0 | 0 | 0 | 111.8 | E205 E206 S212 K213 | E205-D209 PolarHBondContact O-N 3Å; E206-D209 PolarHBondContact O-N 3.27Å; D209-S212 WeakPolarHBondContact O-CB 3.49Å; D209-S212 PolarHBondContact O-N 3.36Å; D209-K213 WeakPolarHBondContact O-CG 3.18Å; D209-K213 PolarHBondContact O-N 3.4Å; D209-K213 IonicContact OD1-NZ 3.84Å; D209-K213 WeakPolarHBondContact OD2-CE 3.46Å; D209-K213 IonicContact OD2-NZ 2.75Å; D209-K213 PolarHBondContact OD2-NZ 3.47Å |
| 210 | K | 98.6 | Very high | 98.5 | Very high | 129 Ų | 129 | 110.7 Ų | 110.7 | 56% | 0.561 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -58.6 | -50.7 | 174.8 | -175.7 | 177.8 | 176.4 | -179.1 | 0 | 111.9 | E206 K207 S212 K213 E214 | E206-K210 PolarHBondContact O-N 3.17Å; K207-K210 PolarHBondContact O-N 2.91Å; K210-S212 VanDerWaalsContact C-N 3.27Å; K210-S212 PolarHBondContact O-N 3.25Å; K210-K213 WeakPolarHBondContact O-CB 3.49Å; K210-K213 PolarHBondContact O-N 3.02Å; K210-E214 WeakPolarHBondContact CE-OE1 3.33Å; K210-E214 PolarHBondContact O-N 3.06Å |
| 211 | M | 98.3 | Very high | 98.5 | Very high | 107 Ų | 107 | 107 Ų | 107 | 53% | 0.527 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62 | -36.6 | 178.2 | -67.8 | -61.9 | -62.4 | 0 | 0 | 111.9 | K207 L208 E214 Y215 | K207-M211 VanDerWaalsContact O-CG 3.28Å; K207-M211 WeakPolarHBondContact O-CG 3.42Å; K207-M211 PolarHBondContact O-N 3.19Å; L208-M211 PolarHBondContact O-N 2.97Å; M211-E214 PolarHBondContact O-N 2.93Å; M211-Y215 WeakPolarHBondContact O-CB 3.35Å; M211-Y215 PolarHBondContact O-N 2.97Å |
| 212 | S | 98.6 | Very high | 98.5 | Very high | 44 Ų | 44 | 107 Ų | 107 | 31% | 0.308 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 175.9 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | L208 D209 K210 Y215 K216 | L208-S212 WeakPolarHBondContact O-CB 3.33Å; L208-S212 PolarHBondContact O-N 3.48Å; D209-S212 WeakPolarHBondContact O-CB 3.49Å; D209-S212 PolarHBondContact O-N 3.36Å; K210-S212 VanDerWaalsContact C-N 3.27Å; K210-S212 PolarHBondContact O-N 3.25Å; S212-Y215 PolarHBondContact O-N 2.91Å; S212-K216 WeakPolarHBondContact O-CG 3.41Å; S212-K216 PolarHBondContact O-N 2.88Å |
| 213 | K | 98.5 | Very high | 98.5 | Very high | 123 Ų | 123 | 108.7 Ų | 108.7 | 54% | 0.535 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 174.5 | -71.5 | 166.2 | 176.4 | 165.9 | 0 | 111.7 | D209 K210 Y215 K216 Y217 | D209-K213 WeakPolarHBondContact O-CG 3.18Å; D209-K213 PolarHBondContact O-N 3.4Å; D209-K213 IonicContact OD1-NZ 3.84Å; D209-K213 WeakPolarHBondContact OD2-CE 3.46Å; D209-K213 IonicContact OD2-NZ 2.75Å; D209-K213 PolarHBondContact OD2-NZ 3.47Å; K210-K213 WeakPolarHBondContact O-CB 3.49Å; K210-K213 PolarHBondContact O-N 3.02Å; K213-Y215 VanDerWaalsContact C-N 3.34Å; K213-Y215 PolarHBondContact O-N 3.44Å; K213-K216 PolarHBondContact O-N 3.38Å; K213-Y217 WeakPolarHBondContact O-CB 3.28Å; K213-Y217 PolarHBondContact O-N 2.77Å |
| 214 | E | 98.4 | Very high | 98.4 | Very high | 94 Ų | 94 | 107.3 Ų | 107.3 | 44% | 0.439 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 176.4 | -71.7 | 175.9 | -171.1 | 0 | 0 | 111.7 | K210 M211 Y217 L218 | K210-E214 WeakPolarHBondContact CE-OE1 3.33Å; K210-E214 PolarHBondContact O-N 3.06Å; M211-E214 PolarHBondContact O-N 2.93Å; E214-Y217 PolarHBondContact O-N 3.37Å; E214-L218 WeakPolarHBondContact O-CB 3.28Å; E214-L218 PolarHBondContact O-N 2.84Å |
| 215 | Y | 98.6 | Very high | 98.4 | Very high | 148 Ų | 148 | 110.4 Ų | 110.4 | 58% | 0.58 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.4 | -46.3 | 174.9 | 172.7 | -99.1 | 0 | 0 | 0 | 112.2 | M211 S212 K213 Y217 L218 K219 | M211-Y215 WeakPolarHBondContact O-CB 3.35Å; M211-Y215 PolarHBondContact O-N 2.97Å; S212-Y215 PolarHBondContact O-N 2.91Å; K213-Y215 VanDerWaalsContact C-N 3.34Å; K213-Y215 PolarHBondContact O-N 3.44Å; Y215-Y217 VanDerWaalsContact C-N 3.33Å; Y215-Y217 PolarHBondContact O-N 3.4Å; Y215-L218 PolarHBondContact O-N 3.36Å; Y215-K219 HydrophobicContact CE1-CD 4.25Å; Y215-K219 VanDerWaalsContact O-CB 3.28Å; Y215-K219 WeakPolarHBondContact O-CB 3.47Å; Y215-K219 PolarHBondContact O-N 2.91Å |
| 216 | K | 98.6 | Very high | 98.4 | Very high | 128 Ų | 128 | 107.8 Ų | 107.8 | 56% | 0.557 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.8 | -41.5 | 176.9 | -75.5 | 174.7 | -176.6 | 176.6 | 0 | 112 | S212 K213 K219 S220 | S212-K216 WeakPolarHBondContact O-CG 3.41Å; S212-K216 PolarHBondContact O-N 2.88Å; K213-K216 PolarHBondContact O-N 3.38Å; K216-K219 PolarHBondContact O-N 2.9Å; K216-S220 WeakPolarHBondContact O-CB 3.48Å; K216-S220 PolarHBondContact O-N 3.22Å; K216-S220 PolarHBondContact O-OG 3.48Å |
| 217 | Y | 98.5 | Very high | 98.4 | Very high | 156 Ų | 156 | 105.4 Ų | 105.4 | 61% | 0.612 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.6 | -51.9 | 175.4 | 172.4 | -98 | 0 | 0 | 0 | 111 | K213 E214 Y215 K219 S220 M221 | K213-Y217 WeakPolarHBondContact O-CB 3.28Å; K213-Y217 PolarHBondContact O-N 2.77Å; E214-Y217 PolarHBondContact O-N 3.37Å; Y215-Y217 VanDerWaalsContact C-N 3.33Å; Y215-Y217 PolarHBondContact O-N 3.4Å; Y217-K219 VanDerWaalsContact C-N 3.33Å; Y217-K219 PolarHBondContact O-N 3.47Å; Y217-S220 WeakPolarHBondContact O-CB 3.47Å; Y217-S220 PolarHBondContact O-N 3.3Å; Y217-M221 HydrophobicContact CD1-CG 4.35Å; Y217-M221 HydrophobicContact CE1-CG 3.82Å; Y217-M221 HydrophobicContact CE2-CG 4.13Å; Y217-M221 HydrophobicContact CE2-SD 4.4Å; Y217-M221 PolarHBondContact O-N 3.5Å |
| 218 | L | 98.6 | Very high | 98.4 | Very high | 94 Ų | 94 | 101.5 Ų | 101.5 | 49% | 0.492 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 179.7 | -177.5 | 61.1 | 0 | 0 | 0 | 111.3 | E214 Y215 S220 M221 F222 | E214-L218 WeakPolarHBondContact O-CB 3.28Å; E214-L218 PolarHBondContact O-N 2.84Å; Y215-L218 PolarHBondContact O-N 3.36Å; L218-S220 VanDerWaalsContact C-N 3.28Å; L218-S220 PolarHBondContact O-N 2.93Å; L218-M221 PolarHBondContact O-N 2.82Å; L218-F222 HydrophobicContact CD1-CD2 4.07Å; L218-F222 HydrophobicContact CD1-CE2 3.72Å; L218-F222 HydrophobicContact CD2-CE2 4.14Å; L218-F222 HydrophobicContact CG-CD2 3.9Å; L218-F222 HydrophobicContact CG-CE2 3.67Å; L218-F222 VanDerWaalsContact O-CD2 3.23Å; L218-F222 WeakPolarHBondContact O-CD2 3.08Å; L218-F222 PolarHBondContact O-N 3.12Å |
| 219 | K | 98.6 | Very high | 98.3 | Very high | 106 Ų | 106 | 100.4 Ų | 100.4 | 46% | 0.461 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.1 | -44.4 | 173.6 | -175.9 | 176.1 | -179.3 | 179.1 | 0 | 111.2 | Y215 K216 Y217 F222 H223 | Y215-K219 HydrophobicContact CE1-CD 4.25Å; Y215-K219 VanDerWaalsContact O-CB 3.28Å; Y215-K219 WeakPolarHBondContact O-CB 3.47Å; Y215-K219 PolarHBondContact O-N 2.91Å; K216-K219 PolarHBondContact O-N 2.9Å; Y217-K219 VanDerWaalsContact C-N 3.33Å; Y217-K219 PolarHBondContact O-N 3.47Å; K219-F222 WeakPolarHBondContact O-CB 3.42Å; K219-F222 PolarHBondContact O-N 3.36Å; K219-H223 PolarHBondContact O-N 2.72Å; K219-H223 PolarHBondContact O-ND1 2.93Å |
| 220 | S | 98.5 | Very high | 98.3 | Very high | 71 Ų | 71 | 104 Ų | 104 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 178.3 | -54.5 | 0 | 0 | 0 | 0 | 111.5 | K216 Y217 L218 F222 H223 V224 | K216-S220 WeakPolarHBondContact O-CB 3.48Å; K216-S220 PolarHBondContact O-N 3.22Å; K216-S220 PolarHBondContact O-OG 3.48Å; Y217-S220 WeakPolarHBondContact O-CB 3.47Å; Y217-S220 PolarHBondContact O-N 3.3Å; L218-S220 VanDerWaalsContact C-N 3.28Å; L218-S220 PolarHBondContact O-N 2.93Å; S220-F222 VanDerWaalsContact C-N 3.29Å; S220-F222 PolarHBondContact O-N 3.39Å; S220-H223 PolarHBondContact O-N 2.96Å; S220-H223 VanDerWaalsContact O-N 3.11Å; S220-V224 PolarHBondContact O-N 3.36Å; S220-V224 VanDerWaalsContact O-N 3.08Å |
| 221 | M | 98.2 | Very high | 98.2 | Very high | 59 Ų | 59 | 104.2 Ų | 104.2 | 29% | 0.291 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.8 | -40.1 | 174.8 | -73.7 | -57.4 | -54.3 | 0 | 0 | 112.3 | Y217 L218 H223 V224 F225 | Y217-M221 HydrophobicContact CD1-CG 4.35Å; Y217-M221 HydrophobicContact CE1-CG 3.82Å; Y217-M221 HydrophobicContact CE2-CG 4.13Å; Y217-M221 HydrophobicContact CE2-SD 4.4Å; Y217-M221 PolarHBondContact O-N 3.5Å; L218-M221 PolarHBondContact O-N 2.82Å; M221-H223 VanDerWaalsContact C-N 3.33Å; M221-H223 PolarHBondContact O-N 3.27Å; M221-V224 PolarHBondContact O-N 2.94Å; M221-F225 HydrophobicContact CB-CE2 4.49Å; M221-F225 HydrophobicContact CE-CE2 3.85Å; M221-F225 HydrophobicContact CE-CZ 4.19Å; M221-F225 WeakPolarHBondContact O-CD2 3.33Å; M221-F225 PolarHBondContact O-N 3.5Å |
| 222 | F | 98.3 | Very high | 98.2 | Very high | 129 Ų | 129 | 103.6 Ų | 103.6 | 57% | 0.566 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.7 | -39.7 | 174.8 | -88.3 | -70.5 | 0 | 0 | 0 | 113 | L218 K219 S220 F225 Q226 | L218-F222 HydrophobicContact CD1-CD2 4.07Å; L218-F222 HydrophobicContact CD1-CE2 3.72Å; L218-F222 HydrophobicContact CD2-CE2 4.14Å; L218-F222 HydrophobicContact CG-CD2 3.9Å; L218-F222 HydrophobicContact CG-CE2 3.67Å; L218-F222 VanDerWaalsContact O-CD2 3.23Å; L218-F222 WeakPolarHBondContact O-CD2 3.08Å; L218-F222 PolarHBondContact O-N 3.12Å; K219-F222 WeakPolarHBondContact O-CB 3.42Å; K219-F222 PolarHBondContact O-N 3.36Å; S220-F222 VanDerWaalsContact C-N 3.29Å; S220-F222 PolarHBondContact O-N 3.39Å; F222-F225 PolarHBondContact O-N 2.93Å; F222-Q226 WeakPolarHBondContact O-CB 3.45Å; F222-Q226 PolarHBondContact O-N 3.4Å |
| 223 | H | 98.2 | Very high | 98.2 | Very high | 92 Ų | 92 | 107 Ų | 107 | 43% | 0.426 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 176.4 | -69.4 | 72 | 0 | 0 | 0 | 110.7 | K219 S220 M221 F225 Q226 D227 | K219-H223 PolarHBondContact O-N 2.72Å; K219-H223 PolarHBondContact O-ND1 2.93Å; S220-H223 PolarHBondContact O-N 2.96Å; S220-H223 VanDerWaalsContact O-N 3.11Å; M221-H223 VanDerWaalsContact C-N 3.33Å; M221-H223 PolarHBondContact O-N 3.27Å; H223-F225 VanDerWaalsContact C-N 3.33Å; H223-F225 PolarHBondContact O-N 3.08Å; H223-Q226 WeakPolarHBondContact O-CB 3.36Å; H223-Q226 PolarHBondContact O-N 3.44Å; H223-Q226 VanDerWaalsContact O-N 3.12Å; H223-D227 WeakPolarHBondContact O-CB 3.45Å; H223-D227 VanDerWaalsContact O-CG 3.23Å; H223-D227 PolarHBondContact O-N 3.11Å |
| 224 | V | 97.9 | Very high | 98.1 | Very high | 87 Ų | 87 | 106.3 Ų | 106.3 | 53% | 0.527 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 175.6 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | S220 M221 D227 S228 | S220-V224 PolarHBondContact O-N 3.36Å; S220-V224 VanDerWaalsContact O-N 3.08Å; M221-V224 PolarHBondContact O-N 2.94Å; V224-D227 PolarHBondContact O-N 3.22Å; V224-S228 WeakPolarHBondContact O-CB 3.23Å; V224-S228 PolarHBondContact O-N 3.27Å |
| 225 | F | 98.3 | Very high | 98.1 | Very high | 124 Ų | 124 | 106 Ų | 106 | 54% | 0.544 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 174.8 | -77.7 | -61.8 | 0 | 0 | 0 | 112.3 | M221 F222 H223 S228 I229 | M221-F225 HydrophobicContact CB-CE2 4.49Å; M221-F225 HydrophobicContact CE-CE2 3.85Å; M221-F225 HydrophobicContact CE-CZ 4.19Å; M221-F225 WeakPolarHBondContact O-CD2 3.33Å; M221-F225 PolarHBondContact O-N 3.5Å; F222-F225 PolarHBondContact O-N 2.93Å; H223-F225 VanDerWaalsContact C-N 3.33Å; H223-F225 PolarHBondContact O-N 3.08Å; F225-S228 PolarHBondContact O-N 3.5Å; F225-I229 WeakPolarHBondContact O-CG1 3.16Å; F225-I229 PolarHBondContact O-N 3.02Å; F225-I229 VanDerWaalsContact O-N 3.08Å |
| 226 | Q | 98.3 | Very high | 98.1 | Very high | 90 Ų | 90 | 103.7 Ų | 103.7 | 42% | 0.421 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 177.4 | 178.1 | 175.1 | 0.1 | 0 | 0 | 111.3 | F222 H223 S228 I229 Y230 | F222-Q226 WeakPolarHBondContact O-CB 3.45Å; F222-Q226 PolarHBondContact O-N 3.4Å; H223-Q226 WeakPolarHBondContact O-CB 3.36Å; H223-Q226 PolarHBondContact O-N 3.44Å; H223-Q226 VanDerWaalsContact O-N 3.12Å; Q226-S228 VanDerWaalsContact C-N 3.35Å; Q226-S228 PolarHBondContact O-N 3.09Å; Q226-I229 PolarHBondContact O-N 3.07Å; Q226-Y230 HydrophobicContact CG-CD2 3.89Å; Q226-Y230 HydrophobicContact CG-CE2 3.45Å; Q226-Y230 VanDerWaalsContact CG-CE2 3.45Å; Q226-Y230 WeakPolarHBondContact O-CD2 3.37Å; Q226-Y230 PolarHBondContact O-N 3.32Å; Q226-Y230 VanDerWaalsContact O-N 3.07Å |
| 227 | D | 97.8 | Very high | 98 | Very high | 85 Ų | 85 | 104.7 Ų | 104.7 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 177.3 | -66.5 | -19 | 0 | 0 | 0 | 110.9 | H223 V224 I229 Y230 E231 | H223-D227 WeakPolarHBondContact O-CB 3.45Å; H223-D227 VanDerWaalsContact O-CG 3.23Å; H223-D227 PolarHBondContact O-N 3.11Å; V224-D227 PolarHBondContact O-N 3.22Å; D227-I229 VanDerWaalsContact C-N 3.3Å; D227-I229 PolarHBondContact O-N 3.23Å; D227-Y230 PolarHBondContact O-N 3.08Å; D227-Y230 VanDerWaalsContact O-N 3.09Å; D227-E231 WeakPolarHBondContact O-CG 3.35Å; D227-E231 PolarHBondContact O-N 2.84Å |
| 228 | S | 98.3 | Very high | 98 | Very high | 65 Ų | 65 | 101.5 Ų | 101.5 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.8 | -38.8 | 175.5 | 175.9 | 0 | 0 | 0 | 0 | 112.8 | V224 F225 Q226 E232 | V224-S228 WeakPolarHBondContact O-CB 3.23Å; V224-S228 PolarHBondContact O-N 3.27Å; F225-S228 PolarHBondContact O-N 3.5Å; Q226-S228 VanDerWaalsContact C-N 3.35Å; Q226-S228 PolarHBondContact O-N 3.09Å; S228-E232 WeakPolarHBondContact O-CB 3.48Å; S228-E232 PolarHBondContact O-N 2.87Å |
| 229 | I | 97.6 | Very high | 98 | Very high | 104 Ų | 104 | 103.6 Ų | 103.6 | 53% | 0.533 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.3 | -42.2 | 175.4 | -68.9 | 166.9 | 0 | 0 | 0 | 110.6 | F225 Q226 D227 E232 M233 | F225-I229 WeakPolarHBondContact O-CG1 3.16Å; F225-I229 PolarHBondContact O-N 3.02Å; F225-I229 VanDerWaalsContact O-N 3.08Å; Q226-I229 PolarHBondContact O-N 3.07Å; D227-I229 VanDerWaalsContact C-N 3.3Å; D227-I229 PolarHBondContact O-N 3.23Å; I229-E232 PolarHBondContact O-N 2.97Å; I229-M233 VanDerWaalsContact O-CG 3.29Å; I229-M233 WeakPolarHBondContact O-CG 3.41Å; I229-M233 PolarHBondContact O-N 3.35Å |
| 230 | Y | 97.3 | Very high | 97.9 | Very high | 149 Ų | 149 | 104 Ų | 104 | 58% | 0.584 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63 | -45 | 177.4 | -75.8 | -60 | 0 | 0 | 0 | 111.9 | Q226 D227 E232 M233 E234 | Q226-Y230 HydrophobicContact CG-CD2 3.89Å; Q226-Y230 HydrophobicContact CG-CE2 3.45Å; Q226-Y230 VanDerWaalsContact CG-CE2 3.45Å; Q226-Y230 WeakPolarHBondContact O-CD2 3.37Å; Q226-Y230 PolarHBondContact O-N 3.32Å; Q226-Y230 VanDerWaalsContact O-N 3.07Å; D227-Y230 PolarHBondContact O-N 3.08Å; D227-Y230 VanDerWaalsContact O-N 3.09Å; Y230-E232 PolarHBondContact O-N 3.41Å; Y230-M233 PolarHBondContact O-N 3.42Å; Y230-E234 PolarHBondContact O-N 3.3Å |
| 231 | E | 97.6 | Very high | 97.9 | Very high | 134 Ų | 134 | 106.4 Ų | 106.4 | 63% | 0.626 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.9 | -45.4 | 175.7 | -72 | -179.4 | 177.1 | 0 | 0 | 111.5 | D227 M233 E234 D235 | D227-E231 WeakPolarHBondContact O-CG 3.35Å; D227-E231 PolarHBondContact O-N 2.84Å; E231-M233 VanDerWaalsContact C-N 3.29Å; E231-M233 PolarHBondContact O-N 3.25Å; E231-E234 PolarHBondContact O-N 3.16Å; E231-D235 WeakPolarHBondContact O-CB 3.29Å; E231-D235 PolarHBondContact O-N 3.02Å |
| 232 | E | 98 | Very high | 97.9 | Very high | 94 Ų | 94 | 105.5 Ų | 105.5 | 44% | 0.439 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.2 | -39.2 | 178.1 | -167.6 | -168.3 | 166.3 | 0 | 0 | 112.1 | S228 I229 Y230 K236 | S228-E232 WeakPolarHBondContact O-CB 3.48Å; S228-E232 PolarHBondContact O-N 2.87Å; I229-E232 PolarHBondContact O-N 2.97Å; Y230-E232 PolarHBondContact O-N 3.41Å; E232-K236 WeakPolarHBondContact O-CG 3.48Å; E232-K236 PolarHBondContact O-N 3.04Å; E232-K236 WeakPolarHBondContact OE1-CE 3.43Å; E232-K236 IonicContact OE1-NZ 3.9Å; E232-K236 PolarHBondContact OE1-NZ 3.32Å |
| 233 | M | 97.3 | Very high | 97.9 | Very high | 116 Ų | 116 | 103.6 Ų | 103.6 | 57% | 0.571 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.9 | -42.8 | 177.2 | -72.8 | -62 | -63.8 | 0 | 0 | 112 | I229 Y230 E231 K236 W237 | I229-M233 VanDerWaalsContact O-CG 3.29Å; I229-M233 WeakPolarHBondContact O-CG 3.41Å; I229-M233 PolarHBondContact O-N 3.35Å; Y230-M233 PolarHBondContact O-N 3.42Å; E231-M233 VanDerWaalsContact C-N 3.29Å; E231-M233 PolarHBondContact O-N 3.25Å; M233-K236 PolarHBondContact O-N 3.41Å; M233-W237 WeakPolarHBondContact O-CB 3.36Å; M233-W237 PolarHBondContact O-N 3.05Å |
| 234 | E | 97.7 | Very high | 97.9 | Very high | 107 Ų | 107 | 105.6 Ų | 105.6 | 50% | 0.5 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 175.7 | -168 | 63 | -142.6 | 0 | 0 | 110.9 | Y230 E231 K236 W237 L238 | Y230-E234 PolarHBondContact O-N 3.3Å; E231-E234 PolarHBondContact O-N 3.16Å; E234-K236 PolarHBondContact O-N 3.41Å; E234-W237 WeakPolarHBondContact O-CB 3.47Å; E234-W237 PolarHBondContact O-N 3.02Å; E234-W237 VanDerWaalsContact O-N 3.15Å; E234-L238 HydrophobicContact CG-CD1 4.26Å; E234-L238 WeakPolarHBondContact O-CB 3.35Å; E234-L238 WeakPolarHBondContact O-CG 3.39Å; E234-L238 PolarHBondContact O-N 3.4Å |
| 235 | D | 98.1 | Very high | 97.9 | Very high | 89 Ų | 89 | 107.7 Ų | 107.7 | 48% | 0.476 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 176.5 | -86.1 | -6 | 0 | 0 | 0 | 112.8 | E231 R239 | E231-D235 WeakPolarHBondContact O-CB 3.29Å; E231-D235 PolarHBondContact O-N 3.02Å; D235-R239 WeakPolarHBondContact O-CB 3.37Å; D235-R239 WeakPolarHBondContact O-CG 3.49Å; D235-R239 PolarHBondContact O-N 2.9Å; D235-R239 PolarHBondContact O-NE 3.34Å; D235-R239 VanDerWaalsContact O-NE 3.16Å |
| 236 | K | 97.9 | Very high | 97.8 | Very high | 98 Ų | 98 | 108.5 Ų | 108.5 | 43% | 0.426 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 174.4 | -76.8 | 174.6 | -174.8 | 164.8 | 0 | 110.9 | E232 M233 E234 R239 R240 | E232-K236 WeakPolarHBondContact O-CG 3.48Å; E232-K236 PolarHBondContact O-N 3.04Å; E232-K236 WeakPolarHBondContact OE1-CE 3.43Å; E232-K236 IonicContact OE1-NZ 3.9Å; E232-K236 PolarHBondContact OE1-NZ 3.32Å; M233-K236 PolarHBondContact O-N 3.41Å; E234-K236 PolarHBondContact O-N 3.41Å; K236-R239 PolarHBondContact O-N 3.39Å; K236-R240 WeakPolarHBondContact O-CB 3.34Å; K236-R240 PolarHBondContact O-N 3.26Å |
| 237 | W | 97.8 | Very high | 97.8 | Very high | 149 Ų | 149 | 109 Ų | 109 | 56% | 0.564 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.9 | -47.7 | 176.9 | 179.4 | -110.3 | 0 | 0 | 0 | 112 | M233 E234 R239 R240 K241 | M233-W237 WeakPolarHBondContact O-CB 3.36Å; M233-W237 PolarHBondContact O-N 3.05Å; E234-W237 WeakPolarHBondContact O-CB 3.47Å; E234-W237 PolarHBondContact O-N 3.02Å; E234-W237 VanDerWaalsContact O-N 3.15Å; W237-R239 PolarHBondContact O-N 3.34Å; W237-R240 PolarHBondContact O-N 2.9Å; W237-K241 WeakPolarHBondContact O-CB 3.46Å; W237-K241 PolarHBondContact O-N 3.15Å |
| 238 | L | 97.9 | Very high | 97.8 | Very high | 89 Ų | 89 | 109.8 Ų | 109.8 | 47% | 0.466 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 177.4 | -73.5 | 171.2 | 0 | 0 | 0 | 112.1 | E234 K241 A242 | E234-L238 HydrophobicContact CG-CD1 4.26Å; E234-L238 WeakPolarHBondContact O-CB 3.35Å; E234-L238 WeakPolarHBondContact O-CG 3.39Å; E234-L238 PolarHBondContact O-N 3.4Å; L238-K241 PolarHBondContact O-N 2.92Å; L238-A242 WeakPolarHBondContact O-CB 3.43Å; L238-A242 PolarHBondContact O-N 2.99Å |
| 239 | R | 98 | Very high | 97.8 | Very high | 139 Ų | 139 | 112.7 Ų | 112.7 | 53% | 0.525 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.1 | -48.9 | 174.6 | -79.7 | -179.9 | -73.7 | -148.3 | -1.7 | 111.9 | D235 K236 W237 K241 A242 E243 | D235-R239 WeakPolarHBondContact O-CB 3.37Å; D235-R239 WeakPolarHBondContact O-CG 3.49Å; D235-R239 PolarHBondContact O-N 2.9Å; D235-R239 PolarHBondContact O-NE 3.34Å; D235-R239 VanDerWaalsContact O-NE 3.16Å; K236-R239 PolarHBondContact O-N 3.39Å; W237-R239 PolarHBondContact O-N 3.34Å; R239-K241 VanDerWaalsContact C-N 3.3Å; R239-K241 PolarHBondContact O-N 3.1Å; R239-A242 PolarHBondContact O-N 3.45Å; R239-E243 WeakPolarHBondContact O-CG 3.47Å; R239-E243 PolarHBondContact O-N 2.97Å |
| 240 | R | 98.1 | Very high | 97.7 | Very high | 113 Ų | 113 | 113.3 Ų | 113.3 | 43% | 0.426 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 179.2 | -164.7 | 76.8 | -169.1 | 116.2 | 2.9 | 111.7 | K236 W237 E243 W244 | K236-R240 WeakPolarHBondContact O-CB 3.34Å; K236-R240 PolarHBondContact O-N 3.26Å; W237-R240 PolarHBondContact O-N 2.9Å; R240-E243 IonicContact CZ-OE2 2.66Å; R240-E243 IonicContact NH1-OE2 2.86Å; R240-E243 PolarHBondContact NH1-OE2 2.66Å; R240-E243 PolarHBondContact O-N 3.45Å; R240-W244 HydrophobicContact CG-CD2 4.45Å; R240-W244 HydrophobicContact CG-CZ2 4.14Å; R240-W244 PolarHBondContact O-N 2.75Å |
| 241 | K | 97.8 | Very high | 97.7 | Very high | 122 Ų | 122 | 110.4 Ų | 110.4 | 53% | 0.53 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 176.5 | -173.7 | 178.5 | 179.8 | -177.6 | 0 | 111.6 | W237 L238 R239 W244 E245 | W237-K241 WeakPolarHBondContact O-CB 3.46Å; W237-K241 PolarHBondContact O-N 3.15Å; L238-K241 PolarHBondContact O-N 2.92Å; R239-K241 VanDerWaalsContact C-N 3.3Å; R239-K241 PolarHBondContact O-N 3.1Å; K241-W244 PolarHBondContact O-N 3.21Å; K241-E245 PolarHBondContact O-N 2.96Å |
| 242 | A | 98.1 | Very high | 97.8 | Very high | 40 Ų | 40 | 110.1 Ų | 110.1 | 33% | 0.331 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.5 | -36.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L238 R239 K246 | L238-A242 WeakPolarHBondContact O-CB 3.43Å; L238-A242 PolarHBondContact O-N 2.99Å; R239-A242 PolarHBondContact O-N 3.45Å; A242-K246 WeakPolarHBondContact O-CG 3.19Å; A242-K246 PolarHBondContact O-N 2.66Å; A242-K246 VanDerWaalsContact O-N 3.1Å |
| 243 | E | 97.9 | Very high | 97.7 | Very high | 89 Ų | 89 | 110.3 Ų | 110.3 | 42% | 0.416 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -48.7 | 172 | -75.1 | 171.3 | -178.9 | 0 | 0 | 111.3 | R239 R240 E245 K246 D247 | R239-E243 WeakPolarHBondContact O-CG 3.47Å; R239-E243 PolarHBondContact O-N 2.97Å; R240-E243 IonicContact CZ-OE2 2.66Å; R240-E243 IonicContact NH1-OE2 2.86Å; R240-E243 PolarHBondContact NH1-OE2 2.66Å; R240-E243 PolarHBondContact O-N 3.45Å; E243-E245 VanDerWaalsContact C-N 3.33Å; E243-E245 PolarHBondContact O-N 2.99Å; E243-K246 WeakPolarHBondContact O-CB 3.25Å; E243-K246 PolarHBondContact O-N 3.03Å; E243-D247 PolarHBondContact O-N 3.48Å |
| 244 | W | 97.5 | Very high | 97.8 | Very high | 134 Ų | 134 | 110.7 Ų | 110.7 | 51% | 0.508 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 177.3 | -73.7 | -17.3 | 0 | 0 | 0 | 113.2 | R240 K241 K246 D247 E248 | R240-W244 HydrophobicContact CG-CD2 4.45Å; R240-W244 HydrophobicContact CG-CZ2 4.14Å; R240-W244 PolarHBondContact O-N 2.75Å; K241-W244 PolarHBondContact O-N 3.21Å; W244-K246 VanDerWaalsContact C-N 3.34Å; W244-K246 PolarHBondContact O-N 3.48Å; W244-D247 PolarHBondContact O-N 3.24Å; W244-E248 VanDerWaalsContact O-CB 3.25Å; W244-E248 WeakPolarHBondContact O-CB 3.44Å; W244-E248 PolarHBondContact O-N 3.38Å |
| 245 | E | 97.9 | Very high | 97.8 | Very high | 132 Ų | 132 | 109.2 Ų | 109.2 | 62% | 0.617 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64 | -40.3 | 177 | -173 | 176.7 | -171.6 | 0 | 0 | 111.9 | K241 E243 K249 | K241-E245 PolarHBondContact O-N 2.96Å; E243-E245 VanDerWaalsContact C-N 3.33Å; E243-E245 PolarHBondContact O-N 2.99Å; E245-K249 WeakPolarHBondContact O-CB 3.31Å; E245-K249 PolarHBondContact O-N 3.36Å |
| 246 | K | 98.1 | Very high | 97.8 | Very high | 141 Ų | 141 | 110.1 Ų | 110.1 | 61% | 0.613 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.5 | -48.6 | 173.9 | -73.3 | 172.8 | -175.7 | 173.2 | 0 | 111.4 | A242 E243 W244 E248 K249 M250 | A242-K246 WeakPolarHBondContact O-CG 3.19Å; A242-K246 PolarHBondContact O-N 2.66Å; A242-K246 VanDerWaalsContact O-N 3.1Å; E243-K246 WeakPolarHBondContact O-CB 3.25Å; E243-K246 PolarHBondContact O-N 3.03Å; W244-K246 VanDerWaalsContact C-N 3.34Å; W244-K246 PolarHBondContact O-N 3.48Å; K246-E248 VanDerWaalsContact C-N 3.33Å; K246-E248 PolarHBondContact O-N 3.5Å; K246-K249 PolarHBondContact O-N 2.85Å; K246-M250 WeakPolarHBondContact O-CB 3.35Å; K246-M250 VanDerWaalsContact O-CG 3.26Å; K246-M250 WeakPolarHBondContact O-CG 3.15Å; K246-M250 PolarHBondContact O-N 3.2Å |
| 247 | D | 97.4 | Very high | 97.8 | Very high | 100 Ų | 100 | 110.4 Ų | 110.4 | 54% | 0.535 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | -180 | -72.4 | -16.1 | 0 | 0 | 0 | 111.3 | E243 W244 K249 M250 E251 | E243-D247 PolarHBondContact O-N 3.48Å; W244-D247 PolarHBondContact O-N 3.24Å; D247-K249 PolarHBondContact O-N 3.46Å; D247-M250 PolarHBondContact O-N 2.87Å; D247-E251 PolarHBondContact O-N 3.46Å |
| 248 | E | 97.5 | Very high | 97.8 | Very high | 101 Ų | 101 | 108.2 Ų | 108.2 | 47% | 0.472 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 176.9 | -163.6 | -164.4 | -162.8 | 0 | 0 | 111.4 | W244 K246 E251 R252 | W244-E248 VanDerWaalsContact O-CB 3.25Å; W244-E248 WeakPolarHBondContact O-CB 3.44Å; W244-E248 PolarHBondContact O-N 3.38Å; K246-E248 VanDerWaalsContact C-N 3.33Å; K246-E248 PolarHBondContact O-N 3.5Å; E248-E251 PolarHBondContact O-N 3.39Å; E248-R252 VanDerWaalsContact CG-NH1 3.31Å; E248-R252 VanDerWaalsContact O-CG 3.31Å; E248-R252 WeakPolarHBondContact O-CG 3.37Å; E248-R252 PolarHBondContact O-N 3.01Å; E248-R252 IonicContact OE1-CZ 2.72Å; E248-R252 IonicContact OE1-NH1 2.87Å; E248-R252 IonicContact OE1-NH2 3.29Å; E248-R252 PolarHBondContact OE1-NH2 2.91Å; E248-R252 IonicContact OE2-CZ 3.03Å; E248-R252 VanDerWaalsContact OE2-CZ 3.25Å; E248-R252 IonicContact OE2-NH1 3.73Å; E248-R252 PolarHBondContact OE2-NH1 3.32Å; E248-R252 IonicContact OE2-NH2 3.41Å; E248-R252 PolarHBondContact OE2-NH2 3.29Å |
| 249 | K | 97.9 | Very high | 97.8 | Very high | 126 Ų | 126 | 108.8 Ų | 108.8 | 55% | 0.548 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 174.3 | -175.4 | 178.6 | 176.9 | -177.6 | 0 | 111.8 | E245 K246 D247 E251 R252 E253 | E245-K249 WeakPolarHBondContact O-CB 3.31Å; E245-K249 PolarHBondContact O-N 3.36Å; K246-K249 PolarHBondContact O-N 2.85Å; D247-K249 PolarHBondContact O-N 3.46Å; K249-E251 VanDerWaalsContact C-N 3.34Å; K249-E251 PolarHBondContact O-N 2.93Å; K249-R252 WeakPolarHBondContact O-CB 3.49Å; K249-R252 PolarHBondContact O-N 3.47Å; K249-E253 WeakPolarHBondContact CE-OE1 3.34Å; K249-E253 WeakPolarHBondContact O-CG 3.32Å; K249-E253 PolarHBondContact O-N 2.89Å |
| 250 | M | 96.7 | Very high | 97.8 | Very high | 117 Ų | 117 | 108.3 Ų | 108.3 | 58% | 0.576 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.8 | -42.1 | 177.9 | -73.5 | -63.1 | -60.8 | 0 | 0 | 111.8 | K246 D247 E253 K254 | K246-M250 WeakPolarHBondContact O-CB 3.35Å; K246-M250 VanDerWaalsContact O-CG 3.26Å; K246-M250 WeakPolarHBondContact O-CG 3.15Å; K246-M250 PolarHBondContact O-N 3.2Å; D247-M250 PolarHBondContact O-N 2.87Å; M250-E253 PolarHBondContact O-N 2.89Å; M250-K254 WeakPolarHBondContact O-CB 3.26Å; M250-K254 PolarHBondContact O-N 3.37Å |
| 251 | E | 97.4 | Very high | 97.8 | Very high | 89 Ų | 89 | 105.7 Ų | 105.7 | 42% | 0.416 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.4 | -38.5 | 178.5 | -166.2 | 59.3 | -148 | 0 | 0 | 111.6 | D247 E248 K249 K254 I255 | D247-E251 PolarHBondContact O-N 3.46Å; E248-E251 PolarHBondContact O-N 3.39Å; K249-E251 VanDerWaalsContact C-N 3.34Å; K249-E251 PolarHBondContact O-N 2.93Å; E251-K254 VanDerWaalsContact CD-NZ 3.3Å; E251-K254 PolarHBondContact O-N 2.72Å; E251-K254 IonicContact OE1-NZ 2.74Å; E251-K254 PolarHBondContact OE1-NZ 3.36Å; E251-K254 IonicContact OE2-NZ 3.97Å; E251-K254 PolarHBondContact OE2-NZ 3.34Å; E251-I255 HydrophobicContact CG-CD1 4.29Å; E251-I255 WeakPolarHBondContact O-CG1 3.46Å; E251-I255 PolarHBondContact O-N 2.98Å |
| 252 | R | 97.9 | Very high | 97.8 | Very high | 128 Ų | 128 | 106.6 Ų | 106.6 | 48% | 0.483 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.4 | -48 | 171 | -73.6 | 179.4 | -173.8 | 115.3 | -7.4 | 111.7 | E248 K249 K254 I255 L256 | E248-R252 VanDerWaalsContact CG-NH1 3.31Å; E248-R252 VanDerWaalsContact O-CG 3.31Å; E248-R252 WeakPolarHBondContact O-CG 3.37Å; E248-R252 PolarHBondContact O-N 3.01Å; E248-R252 IonicContact OE1-CZ 2.72Å; E248-R252 IonicContact OE1-NH1 2.87Å; E248-R252 IonicContact OE1-NH2 3.29Å; E248-R252 PolarHBondContact OE1-NH2 2.91Å; E248-R252 IonicContact OE2-CZ 3.03Å; E248-R252 VanDerWaalsContact OE2-CZ 3.25Å; E248-R252 IonicContact OE2-NH1 3.73Å; E248-R252 PolarHBondContact OE2-NH1 3.32Å; E248-R252 IonicContact OE2-NH2 3.41Å; E248-R252 PolarHBondContact OE2-NH2 3.29Å; K249-R252 WeakPolarHBondContact O-CB 3.49Å; K249-R252 PolarHBondContact O-N 3.47Å; R252-K254 VanDerWaalsContact C-N 3.33Å; R252-K254 PolarHBondContact O-N 3.3Å; R252-I255 PolarHBondContact O-N 2.95Å; R252-L256 WeakPolarHBondContact O-CG 3.45Å; R252-L256 PolarHBondContact O-N 3.18Å |
| 253 | E | 97.6 | Very high | 97.8 | Very high | 97 Ų | 97 | 110.2 Ų | 110.2 | 45% | 0.453 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.7 | -41 | 178 | -75.3 | 178.9 | -171 | 0 | 0 | 111.8 | K249 M250 L256 L257 | K249-E253 WeakPolarHBondContact CE-OE1 3.34Å; K249-E253 WeakPolarHBondContact O-CG 3.32Å; K249-E253 PolarHBondContact O-N 2.89Å; M250-E253 PolarHBondContact O-N 2.89Å; E253-L256 PolarHBondContact O-N 3.46Å; E253-L257 WeakPolarHBondContact O-CB 3.5Å; E253-L257 PolarHBondContact O-N 2.85Å |
| 254 | K | 98.3 | Very high | 97.8 | Very high | 124 Ų | 124 | 109.2 Ų | 109.2 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 176.1 | 175.7 | 170 | 153.7 | -121.8 | 0 | 112.4 | M250 E251 R252 L257 Q258 | M250-K254 WeakPolarHBondContact O-CB 3.26Å; M250-K254 PolarHBondContact O-N 3.37Å; E251-K254 VanDerWaalsContact CD-NZ 3.3Å; E251-K254 PolarHBondContact O-N 2.72Å; E251-K254 IonicContact OE1-NZ 2.74Å; E251-K254 PolarHBondContact OE1-NZ 3.36Å; E251-K254 IonicContact OE2-NZ 3.97Å; E251-K254 PolarHBondContact OE2-NZ 3.34Å; R252-K254 VanDerWaalsContact C-N 3.33Å; R252-K254 PolarHBondContact O-N 3.3Å; K254-L257 PolarHBondContact O-N 3.28Å; K254-Q258 WeakPolarHBondContact O-CB 3.48Å; K254-Q258 PolarHBondContact O-N 2.9Å |
| 255 | I | 98.1 | Very high | 97.8 | Very high | 77 Ų | 77 | 109.7 Ų | 109.7 | 40% | 0.395 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.5 | -46 | 176 | -67.6 | 166.5 | 0 | 0 | 0 | 110.5 | E251 R252 L257 Q258 Q259 | E251-I255 HydrophobicContact CG-CD1 4.29Å; E251-I255 WeakPolarHBondContact O-CG1 3.46Å; E251-I255 PolarHBondContact O-N 2.98Å; R252-I255 PolarHBondContact O-N 2.95Å; I255-L257 PolarHBondContact O-N 2.87Å; I255-Q258 WeakPolarHBondContact O-CB 3.41Å; I255-Q258 PolarHBondContact O-N 3.32Å; I255-Q259 WeakPolarHBondContact O-CG 3.4Å; I255-Q259 PolarHBondContact O-N 3.47Å |
| 256 | L | 98.1 | Very high | 97.8 | Very high | 108 Ų | 108 | 110.4 Ų | 110.4 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.8 | -44.1 | 177.6 | -75 | 172.9 | 0 | 0 | 0 | 111.8 | R252 E253 Q258 Q259 K260 | R252-L256 WeakPolarHBondContact O-CG 3.45Å; R252-L256 PolarHBondContact O-N 3.18Å; E253-L256 PolarHBondContact O-N 3.46Å; L256-Q258 VanDerWaalsContact C-N 3.32Å; L256-Q258 PolarHBondContact O-N 3.05Å; L256-Q259 PolarHBondContact O-N 2.87Å; L256-K260 WeakPolarHBondContact O-CB 3.33Å; L256-K260 PolarHBondContact O-N 3.33Å |
| 257 | L | 98 | Very high | 97.7 | Very high | 104 Ų | 104 | 110.1 Ų | 110.1 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 176.1 | -175.2 | 63.6 | 0 | 0 | 0 | 111 | E253 K254 I255 Q259 K260 C261 | E253-L257 WeakPolarHBondContact O-CB 3.5Å; E253-L257 PolarHBondContact O-N 2.85Å; K254-L257 PolarHBondContact O-N 3.28Å; I255-L257 PolarHBondContact O-N 2.87Å; L257-Q259 PolarHBondContact O-N 2.86Å; L257-K260 PolarHBondContact O-N 2.93Å; L257-C261 WeakPolarHBondContact O-CB 3.41Å; L257-C261 PolarHBondContact O-N 3.3Å; L257-C261 PolarHBondContact O-SG 3.47Å; L257-C261 VanDerWaalsContact O-SG 3.33Å |
| 258 | Q | 97.8 | Very high | 97.7 | Very high | 103 Ų | 103 | 110.8 Ų | 110.8 | 48% | 0.481 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 176.3 | -164.6 | -171.9 | 23.4 | 0 | 0 | 111.6 | K254 I255 L256 C261 R262 | K254-Q258 WeakPolarHBondContact O-CB 3.48Å; K254-Q258 PolarHBondContact O-N 2.9Å; I255-Q258 WeakPolarHBondContact O-CB 3.41Å; I255-Q258 PolarHBondContact O-N 3.32Å; L256-Q258 VanDerWaalsContact C-N 3.32Å; L256-Q258 PolarHBondContact O-N 3.05Å; Q258-C261 PolarHBondContact O-N 3.47Å; Q258-R262 WeakPolarHBondContact O-CG 3.45Å; Q258-R262 PolarHBondContact O-N 3.22Å |
| 259 | Q | 97.9 | Very high | 97.7 | Very high | 100 Ų | 100 | 111.6 Ų | 111.6 | 47% | 0.467 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 175.3 | -72.1 | 179.3 | -6.1 | 0 | 0 | 111.7 | I255 L256 L257 C261 R262 I263 | I255-Q259 WeakPolarHBondContact O-CG 3.4Å; I255-Q259 PolarHBondContact O-N 3.47Å; L256-Q259 PolarHBondContact O-N 2.87Å; L257-Q259 PolarHBondContact O-N 2.86Å; Q259-C261 PolarHBondContact O-N 2.97Å; Q259-R262 WeakPolarHBondContact O-CB 3.46Å; Q259-R262 PolarHBondContact O-N 3.38Å; Q259-I263 WeakPolarHBondContact O-CG1 3.41Å; Q259-I263 PolarHBondContact O-N 2.9Å |
| 260 | K | 98.1 | Very high | 97.6 | Very high | 130 Ų | 130 | 110.9 Ų | 110.9 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -56.1 | -50.1 | 176 | -179.1 | -178 | 176.3 | -177.9 | 0 | 111.4 | L256 L257 R262 I263 I264 | L256-K260 WeakPolarHBondContact O-CB 3.33Å; L256-K260 PolarHBondContact O-N 3.33Å; L257-K260 PolarHBondContact O-N 2.93Å; K260-R262 VanDerWaalsContact C-N 3.32Å; K260-R262 PolarHBondContact O-N 3.44Å; K260-I263 PolarHBondContact O-N 3.18Å; K260-I263 VanDerWaalsContact O-N 3.17Å; K260-I264 HydrophobicContact CG-CD1 3.88Å; K260-I264 WeakPolarHBondContact O-CG1 3.39Å; K260-I264 PolarHBondContact O-N 3.2Å |
| 261 | C | 97.5 | Very high | 97.5 | Very high | 57 Ų | 57 | 108.1 Ų | 108.1 | 39% | 0.385 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.6 | -38.7 | 177.9 | -72.3 | 0 | 0 | 0 | 0 | 112.4 | L257 Q258 Q259 K265 | L257-C261 WeakPolarHBondContact O-CB 3.41Å; L257-C261 PolarHBondContact O-N 3.3Å; L257-C261 PolarHBondContact O-SG 3.47Å; L257-C261 VanDerWaalsContact O-SG 3.33Å; Q258-C261 PolarHBondContact O-N 3.47Å; Q259-C261 PolarHBondContact O-N 2.97Å; C261-K265 WeakPolarHBondContact O-CG 3.4Å; C261-K265 PolarHBondContact O-N 3.17Å |
| 262 | R | 97.9 | Very high | 97.5 | Very high | 141 Ų | 141 | 109.1 Ų | 109.1 | 53% | 0.532 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 175.2 | -72.5 | 177.3 | -158.5 | 179.1 | 7 | 111.8 | Q258 Q259 K260 K266 | Q258-R262 WeakPolarHBondContact O-CG 3.45Å; Q258-R262 PolarHBondContact O-N 3.22Å; Q259-R262 WeakPolarHBondContact O-CB 3.46Å; Q259-R262 PolarHBondContact O-N 3.38Å; K260-R262 VanDerWaalsContact C-N 3.32Å; K260-R262 PolarHBondContact O-N 3.44Å; R262-K266 WeakPolarHBondContact O-CG 3.47Å; R262-K266 PolarHBondContact O-N 3.05Å |
| 263 | I | 97.6 | Very high | 97.4 | Very high | 117 Ų | 117 | 107.4 Ų | 107.4 | 60% | 0.6 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.6 | -46.5 | 179.3 | -66.9 | 168.1 | 0 | 0 | 0 | 110.6 | Q259 K260 K265 K266 F267 | Q259-I263 WeakPolarHBondContact O-CG1 3.41Å; Q259-I263 PolarHBondContact O-N 2.9Å; K260-I263 PolarHBondContact O-N 3.18Å; K260-I263 VanDerWaalsContact O-N 3.17Å; I263-K265 PolarHBondContact O-N 2.94Å; I263-K266 PolarHBondContact O-N 3.49Å; I263-F267 PolarHBondContact O-N 3.45Å |
| 264 | I | 97.8 | Very high | 97.2 | Very high | 67 Ų | 67 | 109.9 Ų | 109.9 | 34% | 0.344 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.6 | -49.6 | 178.3 | -69.2 | 169.4 | 0 | 0 | 0 | 110.7 | K260 K266 F267 E268 | K260-I264 HydrophobicContact CG-CD1 3.88Å; K260-I264 WeakPolarHBondContact O-CG1 3.39Å; K260-I264 PolarHBondContact O-N 3.2Å; I264-K266 VanDerWaalsContact C-N 3.3Å; I264-K266 PolarHBondContact O-N 2.86Å; I264-F267 WeakPolarHBondContact O-CB 3.41Å; I264-F267 PolarHBondContact O-N 3.44Å; I264-F267 VanDerWaalsContact O-N 3.08Å; I264-E268 HydrophobicContact CG2-CG 4.22Å; I264-E268 VanDerWaalsContact CG2-OE1 3.32Å; I264-E268 WeakPolarHBondContact CG2-OE1 3.46Å; I264-E268 WeakPolarHBondContact O-CG 3.33Å; I264-E268 PolarHBondContact O-N 3.06Å |
| 265 | K | 97.9 | Very high | 97.2 | Very high | 145 Ų | 145 | 109.6 Ų | 109.6 | 63% | 0.63 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.1 | -40.8 | 177.9 | -73.9 | 179.1 | 179.6 | -172.5 | 0 | 112.9 | C261 I263 L269 | C261-K265 WeakPolarHBondContact O-CG 3.4Å; C261-K265 PolarHBondContact O-N 3.17Å; I263-K265 PolarHBondContact O-N 2.94Å; K265-L269 WeakPolarHBondContact O-CB 3.32Å; K265-L269 PolarHBondContact O-N 2.89Å; K265-L269 VanDerWaalsContact O-N 3.08Å |
| 266 | K | 97.4 | Very high | 97.1 | Very high | 147 Ų | 147 | 112 Ų | 112 | 64% | 0.639 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.6 | -42.5 | 175.9 | -75.5 | -178.5 | 179.3 | -173.9 | 0 | 111.6 | R262 I263 I264 Q270 | R262-K266 WeakPolarHBondContact O-CG 3.47Å; R262-K266 PolarHBondContact O-N 3.05Å; I263-K266 PolarHBondContact O-N 3.49Å; I264-K266 VanDerWaalsContact C-N 3.3Å; I264-K266 PolarHBondContact O-N 2.86Å; K266-Q270 WeakPolarHBondContact O-CG 3.33Å; K266-Q270 PolarHBondContact O-N 3.28Å |
| 267 | F | 97.2 | Very high | 97 | Very high | 135 Ų | 135 | 112.5 Ų | 112.5 | 59% | 0.592 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.2 | -46.6 | 178.5 | 177.2 | -97.3 | 0 | 0 | 0 | 112 | I263 I264 L269 Q270 S271 | I263-F267 PolarHBondContact O-N 3.45Å; I264-F267 WeakPolarHBondContact O-CB 3.41Å; I264-F267 PolarHBondContact O-N 3.44Å; I264-F267 VanDerWaalsContact O-N 3.08Å; F267-L269 VanDerWaalsContact C-N 3.34Å; F267-L269 PolarHBondContact O-N 2.85Å; F267-Q270 PolarHBondContact O-N 3.08Å; F267-S271 WeakPolarHBondContact O-CB 3.33Å; F267-S271 PolarHBondContact O-N 3.06Å |
| 268 | E | 97 | Very high | 96.8 | Very high | 113 Ų | 113 | 113 Ų | 113 | 53% | 0.528 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.1 | -45.9 | 176.2 | -73.3 | 170 | 170.4 | 0 | 0 | 111.4 | I264 Q270 S271 E272 | I264-E268 HydrophobicContact CG2-CG 4.22Å; I264-E268 VanDerWaalsContact CG2-OE1 3.32Å; I264-E268 WeakPolarHBondContact CG2-OE1 3.46Å; I264-E268 WeakPolarHBondContact O-CG 3.33Å; I264-E268 PolarHBondContact O-N 3.06Å; E268-Q270 PolarHBondContact O-N 3.37Å; E268-S271 WeakPolarHBondContact O-CB 3.38Å; E268-S271 PolarHBondContact O-N 2.91Å; E268-E272 PolarHBondContact O-N 3.35Å |
| 269 | L | 97.3 | Very high | 96.7 | Very high | 119 Ų | 119 | 113 Ų | 113 | 62% | 0.623 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.6 | -43.3 | 178.1 | -172.4 | 139.8 | 0 | 0 | 0 | 112.1 | K265 F267 S271 E272 E273 | K265-L269 WeakPolarHBondContact O-CB 3.32Å; K265-L269 PolarHBondContact O-N 2.89Å; K265-L269 VanDerWaalsContact O-N 3.08Å; F267-L269 VanDerWaalsContact C-N 3.34Å; F267-L269 PolarHBondContact O-N 2.85Å; L269-S271 VanDerWaalsContact C-N 3.33Å; L269-E272 PolarHBondContact O-N 3.49Å; L269-E273 WeakPolarHBondContact O-CB 3.44Å; L269-E273 PolarHBondContact O-N 3.29Å |
| 270 | Q | 96.5 | Very high | 96.6 | Very high | 110 Ų | 110 | 112.7 Ų | 112.7 | 51% | 0.514 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.3 | -36.6 | 174.8 | -74.1 | -178.6 | -1 | 0 | 0 | 112.5 | K266 F267 E268 K274 | K266-Q270 WeakPolarHBondContact O-CG 3.33Å; K266-Q270 PolarHBondContact O-N 3.28Å; F267-Q270 PolarHBondContact O-N 3.08Å; E268-Q270 PolarHBondContact O-N 3.37Å; Q270-K274 WeakPolarHBondContact O-CB 3.37Å; Q270-K274 WeakPolarHBondContact O-CG 3.37Å; Q270-K274 PolarHBondContact O-N 2.99Å |
| 271 | S | 94.9 | Very high | 96.5 | Very high | 60 Ų | 60 | 109.9 Ų | 109.9 | 42% | 0.42 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.6 | -45.9 | 176.3 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | F267 E268 L269 K274 K275 | F267-S271 WeakPolarHBondContact O-CB 3.33Å; F267-S271 PolarHBondContact O-N 3.06Å; E268-S271 WeakPolarHBondContact O-CB 3.38Å; E268-S271 PolarHBondContact O-N 2.91Å; L269-S271 VanDerWaalsContact C-N 3.33Å; S271-K274 PolarHBondContact O-N 3.44Å; S271-K275 WeakPolarHBondContact O-CB 3.41Å; S271-K275 PolarHBondContact O-N 2.94Å |
| 272 | E | 96.7 | Very high | 96.3 | Very high | 110 Ų | 110 | 111.4 Ų | 111.4 | 51% | 0.514 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66 | -39.9 | 177.9 | -162.9 | 61.8 | -145.3 | 0 | 0 | 111.2 | E268 L269 K274 K275 K276 | E268-E272 PolarHBondContact O-N 3.35Å; L269-E272 PolarHBondContact O-N 3.49Å; E272-K274 PolarHBondContact O-N 2.86Å; E272-K275 PolarHBondContact O-N 3.08Å; E272-K275 IonicContact OE1-NZ 2.71Å; E272-K276 WeakPolarHBondContact O-CB 3.3Å; E272-K276 PolarHBondContact O-N 2.74Å |
| 273 | E | 95.7 | Very high | 96.2 | Very high | 92 Ų | 92 | 107.5 Ų | 107.5 | 43% | 0.43 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 175 | -165.6 | -170.3 | 162.1 | 0 | 0 | 111.9 | L269 K276 K277 | L269-E273 WeakPolarHBondContact O-CB 3.44Å; L269-E273 PolarHBondContact O-N 3.29Å; E273-K276 PolarHBondContact O-N 3.26Å; E273-K277 WeakPolarHBondContact O-CG 3.29Å; E273-K277 PolarHBondContact O-N 3.4Å; E273-K277 VanDerWaalsContact OE1-CE 3.3Å; E273-K277 WeakPolarHBondContact OE1-CE 3.44Å; E273-K277 IonicContact OE1-NZ 2.63Å; E273-K277 PolarHBondContact OE1-NZ 2.97Å |
| 274 | K | 94.1 | Very high | 96.1 | Very high | 149 Ų | 149 | 104.1 Ų | 104.1 | 65% | 0.648 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.8 | -42.6 | 174.4 | -77.7 | 179.1 | -179.8 | 179.5 | 0 | 111.9 | Q270 S271 E272 K276 K277 M278 | Q270-K274 WeakPolarHBondContact O-CB 3.37Å; Q270-K274 WeakPolarHBondContact O-CG 3.37Å; Q270-K274 PolarHBondContact O-N 2.99Å; S271-K274 PolarHBondContact O-N 3.44Å; E272-K274 PolarHBondContact O-N 2.86Å; K274-K276 VanDerWaalsContact C-N 3.34Å; K274-K277 PolarHBondContact O-N 3.2Å; K274-M278 WeakPolarHBondContact O-CB 3.39Å; K274-M278 PolarHBondContact O-N 3.48Å |
| 275 | K | 96.7 | Very high | 95.9 | Very high | 117 Ų | 117 | 105.3 Ų | 105.3 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 176 | -175.7 | -174.8 | 171.5 | -164.2 | 0 | 111.2 | S271 E272 M278 N279 | S271-K275 WeakPolarHBondContact O-CB 3.41Å; S271-K275 PolarHBondContact O-N 2.94Å; E272-K275 PolarHBondContact O-N 3.08Å; E272-K275 IonicContact OE1-NZ 2.71Å; K275-M278 PolarHBondContact O-N 2.83Å; K275-N279 WeakPolarHBondContact O-CB 3.32Å; K275-N279 PolarHBondContact O-N 3.26Å |
| 276 | K | 96.8 | Very high | 95.7 | Very high | 129 Ų | 129 | 101.4 Ų | 101.4 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.7 | -49.9 | 174.6 | -167.3 | -178.5 | -173.1 | -94.5 | 0 | 111.5 | E272 E273 K274 M278 N279 E280 | E272-K276 WeakPolarHBondContact O-CB 3.3Å; E272-K276 PolarHBondContact O-N 2.74Å; E273-K276 PolarHBondContact O-N 3.26Å; K274-K276 VanDerWaalsContact C-N 3.34Å; K276-M278 VanDerWaalsContact C-N 3.32Å; K276-M278 PolarHBondContact O-N 3.15Å; K276-N279 PolarHBondContact O-N 2.85Å; K276-N279 VanDerWaalsContact O-N 3.15Å; K276-E280 WeakPolarHBondContact CE-OE1 3.4Å; K276-E280 WeakPolarHBondContact CG-OE1 3.47Å; K276-E280 IonicContact NZ-OE1 2.62Å; K276-E280 PolarHBondContact NZ-OE1 3.45Å; K276-E280 WeakPolarHBondContact O-CB 3.41Å; K276-E280 VanDerWaalsContact O-CG 3.32Å; K276-E280 WeakPolarHBondContact O-CG 3.4Å; K276-E280 PolarHBondContact O-N 3.39Å |
| 277 | K | 96.1 | Very high | 95.6 | Very high | 117 Ų | 117 | 98.7 Ų | 98.7 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.6 | -42.6 | 176.3 | -73.5 | 174.8 | -175.4 | 166.8 | 0 | 112.3 | E273 K274 S281 | E273-K277 WeakPolarHBondContact O-CG 3.29Å; E273-K277 PolarHBondContact O-N 3.4Å; E273-K277 VanDerWaalsContact OE1-CE 3.3Å; E273-K277 WeakPolarHBondContact OE1-CE 3.44Å; E273-K277 IonicContact OE1-NZ 2.63Å; E273-K277 PolarHBondContact OE1-NZ 2.97Å; K274-K277 PolarHBondContact O-N 3.2Å; K277-S281 WeakPolarHBondContact O-CB 3.36Å; K277-S281 PolarHBondContact O-N 2.93Å |
| 278 | M | 94.6 | Very high | 95.4 | Very high | 114 Ų | 114 | 96.1 Ų | 96.1 | 56% | 0.562 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.1 | -44.7 | 175.4 | -178.6 | 178.1 | 66.8 | 0 | 0 | 111.3 | K274 K275 K276 S281 I282 | K274-M278 WeakPolarHBondContact O-CB 3.39Å; K274-M278 PolarHBondContact O-N 3.48Å; K275-M278 PolarHBondContact O-N 2.83Å; K276-M278 VanDerWaalsContact C-N 3.32Å; K276-M278 PolarHBondContact O-N 3.15Å; M278-S281 WeakPolarHBondContact O-CB 3.33Å; M278-S281 PolarHBondContact O-N 3.37Å; M278-I282 HydrophobicContact CG-CD1 3.95Å; M278-I282 VanDerWaalsContact O-CG1 3.28Å; M278-I282 WeakPolarHBondContact O-CG1 3.28Å; M278-I282 PolarHBondContact O-N 2.83Å |
| 279 | N | 95 | Very high | 95.2 | Very high | 104 Ų | 104 | 97.2 Ų | 97.2 | 56% | 0.556 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.3 | -40.8 | 179.1 | -166.8 | 72.3 | 0 | 0 | 0 | 112.3 | K275 K276 S281 I282 S283 | K275-N279 WeakPolarHBondContact O-CB 3.32Å; K275-N279 PolarHBondContact O-N 3.26Å; K276-N279 PolarHBondContact O-N 2.85Å; K276-N279 VanDerWaalsContact O-N 3.15Å; N279-S281 VanDerWaalsContact C-N 3.32Å; N279-I282 PolarHBondContact O-N 3.01Å; N279-S283 WeakPolarHBondContact O-CB 3.38Å; N279-S283 PolarHBondContact O-N 3.37Å |
| 280 | E | 95.9 | Very high | 95 | Very high | 94 Ų | 94 | 94 Ų | 94 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.3 | -44.3 | 171.8 | -72.7 | 166.9 | -179.4 | 0 | 0 | 110.7 | K276 S283 A284 | K276-E280 WeakPolarHBondContact CE-OE1 3.4Å; K276-E280 WeakPolarHBondContact CG-OE1 3.47Å; K276-E280 IonicContact NZ-OE1 2.62Å; K276-E280 PolarHBondContact NZ-OE1 3.45Å; K276-E280 WeakPolarHBondContact O-CB 3.41Å; K276-E280 VanDerWaalsContact O-CG 3.32Å; K276-E280 WeakPolarHBondContact O-CG 3.4Å; K276-E280 PolarHBondContact O-N 3.39Å; E280-S283 PolarHBondContact O-N 2.87Å; E280-A284 WeakPolarHBondContact O-CB 3.45Å; E280-A284 PolarHBondContact O-N 3.29Å |
| 281 | S | 94.8 | Very high | 94.9 | Very high | 71 Ų | 71 | 96.4 Ų | 96.4 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 174.6 | -172.2 | 0 | 0 | 0 | 0 | 112.6 | K277 M278 N279 A284 V285 | K277-S281 WeakPolarHBondContact O-CB 3.36Å; K277-S281 PolarHBondContact O-N 2.93Å; M278-S281 WeakPolarHBondContact O-CB 3.33Å; M278-S281 PolarHBondContact O-N 3.37Å; N279-S281 VanDerWaalsContact C-N 3.32Å; S281-A284 PolarHBondContact O-N 2.93Å; S281-V285 VanDerWaalsContact O-CG2 3.29Å; S281-V285 WeakPolarHBondContact O-CG2 3.45Å; S281-V285 PolarHBondContact O-N 3.37Å |
| 282 | I | 94.3 | Very high | 94.7 | Very high | 89 Ų | 89 | 99.4 Ų | 99.4 | 46% | 0.456 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 176 | -70.5 | 164.8 | 0 | 0 | 0 | 110.6 | M278 N279 V285 S286 | M278-I282 HydrophobicContact CG-CD1 3.95Å; M278-I282 VanDerWaalsContact O-CG1 3.28Å; M278-I282 WeakPolarHBondContact O-CG1 3.28Å; M278-I282 PolarHBondContact O-N 2.83Å; N279-I282 PolarHBondContact O-N 3.01Å; I282-V285 PolarHBondContact O-N 2.71Å; I282-S286 WeakPolarHBondContact O-CB 3.41Å; I282-S286 PolarHBondContact O-N 3.08Å; I282-S286 PolarHBondContact O-OG 3.42Å |
| 283 | S | 95 | Very high | 94.6 | Very high | 58 Ų | 58 | 100 Ų | 100 | 41% | 0.406 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.4 | -48.6 | 175.7 | -166 | 0 | 0 | 0 | 0 | 110.8 | N279 E280 V285 S286 D287 | N279-S283 WeakPolarHBondContact O-CB 3.38Å; N279-S283 PolarHBondContact O-N 3.37Å; E280-S283 PolarHBondContact O-N 2.87Å; S283-V285 VanDerWaalsContact C-N 3.34Å; S283-V285 PolarHBondContact O-N 2.88Å; S283-S286 WeakPolarHBondContact O-CB 3.5Å; S283-S286 PolarHBondContact O-N 2.92Å; S283-S286 VanDerWaalsContact O-N 3.08Å; S283-D287 WeakPolarHBondContact O-CB 3.45Å; S283-D287 VanDerWaalsContact O-CG 3.23Å; S283-D287 PolarHBondContact O-N 3.41Å |
| 284 | A | 95.5 | Very high | 94.5 | Very high | 47 Ų | 47 | 102.2 Ų | 102.2 | 39% | 0.388 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.2 | -41.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E280 S281 N288 | E280-A284 WeakPolarHBondContact O-CB 3.45Å; E280-A284 PolarHBondContact O-N 3.29Å; S281-A284 PolarHBondContact O-N 2.93Å; A284-N288 WeakPolarHBondContact O-CB 3.34Å; A284-N288 PolarHBondContact O-N 3.48Å; A284-N288 PolarHBondContact O-ND2 2.79Å; A284-N288 PolarHBondContact O-OD1 2.88Å |
| 285 | V | 94.8 | Very high | 94.4 | Very high | 91 Ų | 91 | 99.3 Ų | 99.3 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.4 | -40.4 | 174.3 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | S281 I282 S283 N288 F289 | S281-V285 VanDerWaalsContact O-CG2 3.29Å; S281-V285 WeakPolarHBondContact O-CG2 3.45Å; S281-V285 PolarHBondContact O-N 3.37Å; I282-V285 PolarHBondContact O-N 2.71Å; S283-V285 VanDerWaalsContact C-N 3.34Å; S283-V285 PolarHBondContact O-N 2.88Å; V285-N288 PolarHBondContact O-N 3.33Å; V285-F289 WeakPolarHBondContact O-CB 3.44Å; V285-F289 PolarHBondContact O-N 2.81Å |
| 286 | S | 92.9 | Very high | 94.2 | Very high | 63 Ų | 63 | 99 Ų | 99 | 44% | 0.441 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 178.1 | -57 | 0 | 0 | 0 | 0 | 111.9 | I282 S283 F289 A290 | I282-S286 WeakPolarHBondContact O-CB 3.41Å; I282-S286 PolarHBondContact O-N 3.08Å; I282-S286 PolarHBondContact O-OG 3.42Å; S283-S286 WeakPolarHBondContact O-CB 3.5Å; S283-S286 PolarHBondContact O-N 2.92Å; S283-S286 VanDerWaalsContact O-N 3.08Å; S286-F289 PolarHBondContact O-N 2.85Å; S286-A290 WeakPolarHBondContact O-CB 3.48Å; S286-A290 PolarHBondContact O-N 2.68Å |
| 287 | D | 94.8 | Very high | 94 | Very high | 91 Ų | 91 | 97.2 Ų | 97.2 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.9 | -40.3 | 176.4 | -65.2 | -26.4 | 0 | 0 | 0 | 111.1 | S283 A290 R291 | S283-D287 WeakPolarHBondContact O-CB 3.45Å; S283-D287 VanDerWaalsContact O-CG 3.23Å; S283-D287 PolarHBondContact O-N 3.41Å; D287-A290 PolarHBondContact O-N 2.92Å; D287-R291 WeakPolarHBondContact O-CG 3.3Å; D287-R291 PolarHBondContact O-N 3.46Å |
| 288 | N | 94.3 | Very high | 93.8 | Very high | 80 Ų | 80 | 97.5 Ų | 97.5 | 43% | 0.428 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.2 | -47.2 | 171.9 | -72.6 | -15.6 | 0 | 0 | 0 | 111.4 | A284 V285 A290 R291 E292 | A284-N288 WeakPolarHBondContact O-CB 3.34Å; A284-N288 PolarHBondContact O-N 3.48Å; A284-N288 PolarHBondContact O-ND2 2.79Å; A284-N288 PolarHBondContact O-OD1 2.88Å; V285-N288 PolarHBondContact O-N 3.33Å; N288-A290 VanDerWaalsContact C-N 3.34Å; N288-A290 PolarHBondContact O-N 3.45Å; N288-R291 PolarHBondContact O-N 3.36Å; N288-R291 PolarHBondContact OD1-NH2 2.87Å; N288-E292 WeakPolarHBondContact O-CB 3.38Å; N288-E292 PolarHBondContact O-N 3.27Å |
| 289 | F | 92.9 | Very high | 93.7 | Very high | 136 Ų | 136 | 96 Ų | 96 | 60% | 0.596 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.5 | -40 | 177.4 | -179.8 | -98.4 | 0 | 0 | 0 | 112.1 | V285 S286 E292 K293 | V285-F289 WeakPolarHBondContact O-CB 3.44Å; V285-F289 PolarHBondContact O-N 2.81Å; S286-F289 PolarHBondContact O-N 2.85Å; F289-E292 PolarHBondContact O-N 2.96Å; F289-K293 WeakPolarHBondContact O-CB 3.46Å; F289-K293 PolarHBondContact O-N 2.84Å |
| 290 | A | 93.4 | Very high | 93.5 | Very high | 51 Ų | 51 | 96 Ų | 96 | 42% | 0.421 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S286 D287 N288 K293 E294 | S286-A290 WeakPolarHBondContact O-CB 3.48Å; S286-A290 PolarHBondContact O-N 2.68Å; D287-A290 PolarHBondContact O-N 2.92Å; N288-A290 VanDerWaalsContact C-N 3.34Å; N288-A290 PolarHBondContact O-N 3.45Å; A290-K293 PolarHBondContact O-N 2.94Å; A290-E294 WeakPolarHBondContact O-CB 3.32Å; A290-E294 PolarHBondContact O-N 2.89Å |
| 291 | R | 93.4 | Very high | 93.3 | Very high | 162 Ų | 162 | 95.8 Ų | 95.8 | 61% | 0.611 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.8 | -45.7 | 174.7 | -73.9 | -170.2 | -68.7 | 179.8 | -1.8 | 112.3 | D287 N288 K293 E294 E295 | D287-R291 WeakPolarHBondContact O-CG 3.3Å; D287-R291 PolarHBondContact O-N 3.46Å; N288-R291 PolarHBondContact O-N 3.36Å; N288-R291 PolarHBondContact OD1-NH2 2.87Å; R291-K293 VanDerWaalsContact C-N 3.32Å; R291-K293 PolarHBondContact O-N 2.93Å; R291-E294 PolarHBondContact O-N 3.41Å; R291-E295 WeakPolarHBondContact O-CB 3.42Å; R291-E295 PolarHBondContact O-N 3.07Å |
| 292 | E | 91.6 | Very high | 93.2 | Very high | 123 Ų | 123 | 96.5 Ų | 96.5 | 58% | 0.575 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.5 | -41.3 | 177.4 | -173.7 | 177.7 | -171.6 | 0 | 0 | 111.5 | N288 F289 E295 L296 | N288-E292 WeakPolarHBondContact O-CB 3.38Å; N288-E292 PolarHBondContact O-N 3.27Å; F289-E292 PolarHBondContact O-N 2.96Å; E292-E295 PolarHBondContact O-N 3.47Å; E292-L296 HydrophobicContact CG-CD1 4.38Å; E292-L296 WeakPolarHBondContact O-CB 3.48Å; E292-L296 VanDerWaalsContact O-CG 3.3Å; E292-L296 WeakPolarHBondContact O-CG 3.49Å; E292-L296 PolarHBondContact O-N 3.38Å |
| 293 | K | 94.3 | Very high | 93 | Very high | 122 Ų | 122 | 95.5 Ų | 95.5 | 53% | 0.53 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 174.9 | -178.7 | -173.4 | 174.2 | -173.2 | 0 | 112.5 | F289 A290 R291 E295 L296 L297 | F289-K293 WeakPolarHBondContact O-CB 3.46Å; F289-K293 PolarHBondContact O-N 2.84Å; A290-K293 PolarHBondContact O-N 2.94Å; R291-K293 VanDerWaalsContact C-N 3.32Å; R291-K293 PolarHBondContact O-N 2.93Å; K293-E295 VanDerWaalsContact C-N 3.33Å; K293-L296 PolarHBondContact O-N 3.3Å; K293-L297 HydrophobicContact CG-CD1 4.37Å; K293-L297 WeakPolarHBondContact O-CG 3.42Å; K293-L297 PolarHBondContact O-N 2.62Å |
| 294 | E | 93.6 | Very high | 92.8 | Very high | 139 Ų | 139 | 95.7 Ų | 95.7 | 65% | 0.65 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.6 | -40.1 | 178.2 | -172.8 | 171.1 | -162.9 | 0 | 0 | 111.3 | A290 R291 L297 R298 | A290-E294 WeakPolarHBondContact O-CB 3.32Å; A290-E294 PolarHBondContact O-N 2.89Å; R291-E294 PolarHBondContact O-N 3.41Å; E294-L297 PolarHBondContact O-N 3.46Å; E294-R298 WeakPolarHBondContact O-CB 3.35Å; E294-R298 PolarHBondContact O-N 2.9Å |
| 295 | E | 92.8 | Very high | 92.6 | Very high | 88 Ų | 88 | 98.8 Ų | 98.8 | 41% | 0.411 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 173.8 | -174.2 | 60.9 | -162.5 | 0 | 0 | 112 | R291 E292 K293 L297 R298 Q299 | R291-E295 WeakPolarHBondContact O-CB 3.42Å; R291-E295 PolarHBondContact O-N 3.07Å; E292-E295 PolarHBondContact O-N 3.47Å; K293-E295 VanDerWaalsContact C-N 3.33Å; E295-L297 VanDerWaalsContact C-N 3.33Å; E295-L297 PolarHBondContact O-N 3.48Å; E295-R298 PolarHBondContact O-N 2.91Å; E295-R298 IonicContact OE1-CZ 3.78Å; E295-R298 IonicContact OE1-NE 3.31Å; E295-R298 IonicContact OE1-NH2 3.41Å; E295-R298 PolarHBondContact OE1-NH2 3.39Å; E295-R298 IonicContact OE2-CZ 3.13Å; E295-R298 VanDerWaalsContact OE2-CZ 3.31Å; E295-R298 IonicContact OE2-NE 2.68Å; E295-R298 PolarHBondContact OE2-NE 3.13Å; E295-R298 VanDerWaalsContact OE2-NE 3.13Å; E295-R298 IonicContact OE2-NH2 3.91Å; E295-R298 PolarHBondContact OE2-NH2 3.31Å; E295-Q299 WeakPolarHBondContact O-CB 3.48Å; E295-Q299 PolarHBondContact O-N 2.91Å |
| 296 | L | 92.2 | Very high | 92.3 | Very high | 111 Ų | 111 | 100.1 Ų | 100.1 | 58% | 0.581 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.9 | -37.5 | 174.7 | -75.6 | 171 | 0 | 0 | 0 | 112.6 | E292 K293 H300 | E292-L296 HydrophobicContact CG-CD1 4.38Å; E292-L296 WeakPolarHBondContact O-CB 3.48Å; E292-L296 VanDerWaalsContact O-CG 3.3Å; E292-L296 WeakPolarHBondContact O-CG 3.49Å; E292-L296 PolarHBondContact O-N 3.38Å; K293-L296 PolarHBondContact O-N 3.3Å; L296-H300 WeakPolarHBondContact O-CB 3.19Å; L296-H300 PolarHBondContact O-N 3.25Å |
| 297 | L | 92.6 | Very high | 92 | Very high | 90 Ų | 90 | 101.3 Ų | 101.3 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.3 | -45 | 174.5 | -80 | 167.9 | 0 | 0 | 0 | 111.4 | K293 E294 E295 Q299 H300 D301 | K293-L297 HydrophobicContact CG-CD1 4.37Å; K293-L297 WeakPolarHBondContact O-CG 3.42Å; K293-L297 PolarHBondContact O-N 2.62Å; E294-L297 PolarHBondContact O-N 3.46Å; E295-L297 VanDerWaalsContact C-N 3.33Å; E295-L297 PolarHBondContact O-N 3.48Å; L297-Q299 VanDerWaalsContact C-N 3.34Å; L297-Q299 PolarHBondContact O-N 3.4Å; L297-H300 WeakPolarHBondContact O-CB 3.43Å; L297-H300 PolarHBondContact O-N 3.2Å; L297-D301 PolarHBondContact O-N 2.87Å |
| 298 | R | 92.1 | Very high | 91.5 | Very high | 123 Ų | 123 | 101.6 Ų | 101.6 | 46% | 0.464 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 175.9 | -175.5 | 173.2 | 66.6 | 103.6 | -13 | 111.4 | E294 E295 H300 D301 E302 | E294-R298 WeakPolarHBondContact O-CB 3.35Å; E294-R298 PolarHBondContact O-N 2.9Å; E295-R298 PolarHBondContact O-N 2.91Å; E295-R298 IonicContact OE1-CZ 3.78Å; E295-R298 IonicContact OE1-NE 3.31Å; E295-R298 IonicContact OE1-NH2 3.41Å; E295-R298 PolarHBondContact OE1-NH2 3.39Å; E295-R298 IonicContact OE2-CZ 3.13Å; E295-R298 VanDerWaalsContact OE2-CZ 3.31Å; E295-R298 IonicContact OE2-NE 2.68Å; E295-R298 PolarHBondContact OE2-NE 3.13Å; E295-R298 VanDerWaalsContact OE2-NE 3.13Å; E295-R298 IonicContact OE2-NH2 3.91Å; E295-R298 PolarHBondContact OE2-NH2 3.31Å; R298-H300 VanDerWaalsContact C-N 3.33Å; R298-H300 PolarHBondContact O-N 2.96Å; R298-D301 PolarHBondContact O-N 2.9Å; R298-E302 IonicContact NH1-OE1 3.26Å; R298-E302 PolarHBondContact NH1-OE1 3.26Å; R298-E302 WeakPolarHBondContact O-CG 3.36Å; R298-E302 PolarHBondContact O-N 2.68Å |
| 299 | Q | 91.1 | Very high | 91 | Very high | 82 Ų | 82 | 104.5 Ų | 104.5 | 38% | 0.383 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 174.8 | -172.5 | 63 | 51.7 | 0 | 0 | 111.6 | E295 L297 D301 E302 D303 | E295-Q299 WeakPolarHBondContact O-CB 3.48Å; E295-Q299 PolarHBondContact O-N 2.91Å; L297-Q299 VanDerWaalsContact C-N 3.34Å; L297-Q299 PolarHBondContact O-N 3.4Å; Q299-D301 PolarHBondContact O-N 3.28Å; Q299-E302 PolarHBondContact O-N 3.47Å; Q299-D303 PolarHBondContact NE2-OD1 3.45Å; Q299-D303 VanDerWaalsContact NE2-OD1 3.07Å; Q299-D303 WeakPolarHBondContact O-CB 3.2Å; Q299-D303 PolarHBondContact O-N 2.9Å |
| 300 | H | 91.1 | Very high | 90.5 | Very high | 105 Ų | 105 | 103.6 Ų | 103.6 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 176.9 | 172.4 | -89.2 | 0 | 0 | 0 | 112.6 | L296 L297 R298 D303 I304 | L296-H300 WeakPolarHBondContact O-CB 3.19Å; L296-H300 PolarHBondContact O-N 3.25Å; L297-H300 WeakPolarHBondContact O-CB 3.43Å; L297-H300 PolarHBondContact O-N 3.2Å; R298-H300 VanDerWaalsContact C-N 3.33Å; R298-H300 PolarHBondContact O-N 2.96Å; H300-D303 PolarHBondContact O-N 3.45Å; H300-I304 WeakPolarHBondContact CE1-CD1 3.38Å; H300-I304 WeakPolarHBondContact O-CG1 3.37Å; H300-I304 PolarHBondContact O-N 3.36Å |
| 301 | D | 92.1 | Very high | 89.9 | Confident | 90 Ų | 90 | 108.3 Ų | 108.3 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.9 | -40.3 | 176.8 | -72.8 | -15.5 | 0 | 0 | 0 | 112 | L297 R298 Q299 I304 L305 | L297-D301 PolarHBondContact O-N 2.87Å; R298-D301 PolarHBondContact O-N 2.9Å; Q299-D301 PolarHBondContact O-N 3.28Å; D301-I304 PolarHBondContact O-N 3.24Å; D301-L305 WeakPolarHBondContact O-CG 3.45Å; D301-L305 PolarHBondContact O-N 3.47Å |
| 302 | E | 92.1 | Very high | 89.3 | Confident | 86 Ų | 86 | 107 Ų | 107 | 40% | 0.402 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.5 | -46.5 | 171.5 | -73.9 | 175.4 | -163.2 | 0 | 0 | 111 | R298 Q299 I304 L305 Q306 | R298-E302 IonicContact NH1-OE1 3.26Å; R298-E302 PolarHBondContact NH1-OE1 3.26Å; R298-E302 WeakPolarHBondContact O-CG 3.36Å; R298-E302 PolarHBondContact O-N 2.68Å; Q299-E302 PolarHBondContact O-N 3.47Å; E302-I304 VanDerWaalsContact C-N 3.33Å; E302-I304 PolarHBondContact O-N 3.37Å; E302-L305 PolarHBondContact O-N 2.91Å; E302-Q306 WeakPolarHBondContact O-CB 3.48Å; E302-Q306 PolarHBondContact O-N 2.91Å |
| 303 | D | 90.1 | Very high | 88.5 | Confident | 67 Ų | 67 | 103.6 Ų | 103.6 | 36% | 0.358 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 176.3 | -68.7 | -10.9 | 0 | 0 | 0 | 111.4 | Q299 H300 Q306 I307 | Q299-D303 PolarHBondContact NE2-OD1 3.45Å; Q299-D303 VanDerWaalsContact NE2-OD1 3.07Å; Q299-D303 WeakPolarHBondContact O-CB 3.2Å; Q299-D303 PolarHBondContact O-N 2.9Å; H300-D303 PolarHBondContact O-N 3.45Å; D303-Q306 PolarHBondContact O-N 2.85Å; D303-I307 WeakPolarHBondContact O-CB 3.28Å; D303-I307 WeakPolarHBondContact O-CD1 3.5Å; D303-I307 WeakPolarHBondContact O-CG1 3.41Å; D303-I307 PolarHBondContact O-N 3.29Å |
| 304 | I | 91.3 | Very high | 87.6 | Confident | 63 Ų | 63 | 104.5 Ų | 104.5 | 32% | 0.323 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 173.9 | -76.7 | 174.8 | 0 | 0 | 0 | 111.2 | H300 D301 E302 Q306 I307 Q308 | H300-I304 WeakPolarHBondContact CE1-CD1 3.38Å; H300-I304 WeakPolarHBondContact O-CG1 3.37Å; H300-I304 PolarHBondContact O-N 3.36Å; D301-I304 PolarHBondContact O-N 3.24Å; E302-I304 VanDerWaalsContact C-N 3.33Å; E302-I304 PolarHBondContact O-N 3.37Å; I304-Q306 VanDerWaalsContact C-N 3.3Å; I304-Q306 PolarHBondContact O-N 3.48Å; I304-I307 WeakPolarHBondContact O-CB 3.41Å; I304-I307 PolarHBondContact O-N 2.93Å; I304-Q308 WeakPolarHBondContact O-CG 3.45Å; I304-Q308 PolarHBondContact O-N 3.3Å |
| 305 | L | 90.8 | Very high | 86.5 | Confident | 112 Ų | 112 | 103.9 Ų | 103.9 | 59% | 0.586 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60 | -45 | 178.2 | -75 | 172.4 | 0 | 0 | 0 | 110.4 | D301 E302 I307 Q308 E309 | D301-L305 WeakPolarHBondContact O-CG 3.45Å; D301-L305 PolarHBondContact O-N 3.47Å; E302-L305 PolarHBondContact O-N 2.91Å; L305-I307 VanDerWaalsContact C-N 3.34Å; L305-I307 PolarHBondContact O-N 2.88Å; L305-Q308 PolarHBondContact O-N 3.4Å; L305-Q308 VanDerWaalsContact O-N 3.15Å; L305-E309 WeakPolarHBondContact O-CB 3.47Å; L305-E309 PolarHBondContact O-N 3.16Å |
| 306 | Q | 88.2 | Confident | 85.2 | Confident | 119 Ų | 119 | 104.5 Ų | 104.5 | 56% | 0.556 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.5 | -42.2 | 176.6 | -160.5 | 176.5 | 50.8 | 0 | 0 | 111.5 | E302 D303 I304 Q308 E309 L310 | E302-Q306 WeakPolarHBondContact O-CB 3.48Å; E302-Q306 PolarHBondContact O-N 2.91Å; D303-Q306 PolarHBondContact O-N 2.85Å; I304-Q306 VanDerWaalsContact C-N 3.3Å; I304-Q306 PolarHBondContact O-N 3.48Å; Q306-Q308 PolarHBondContact O-N 3.22Å; Q306-E309 PolarHBondContact O-N 2.98Å; Q306-L310 WeakPolarHBondContact O-CB 3.28Å; Q306-L310 VanDerWaalsContact O-CG 3.28Å; Q306-L310 WeakPolarHBondContact O-CG 3.44Å; Q306-L310 PolarHBondContact O-N 3.42Å |
| 307 | I | 86.7 | Confident | 83.8 | Confident | 87 Ų | 87 | 106.1 Ų | 106.1 | 45% | 0.446 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 173.7 | -73.3 | 165.1 | 0 | 0 | 0 | 111.5 | D303 I304 L305 R311 | D303-I307 WeakPolarHBondContact O-CB 3.28Å; D303-I307 WeakPolarHBondContact O-CD1 3.5Å; D303-I307 WeakPolarHBondContact O-CG1 3.41Å; D303-I307 PolarHBondContact O-N 3.29Å; I304-I307 WeakPolarHBondContact O-CB 3.41Å; I304-I307 PolarHBondContact O-N 2.93Å; L305-I307 VanDerWaalsContact C-N 3.34Å; L305-I307 PolarHBondContact O-N 2.88Å; I307-R311 WeakPolarHBondContact O-CB 3.36Å; I307-R311 PolarHBondContact O-N 2.97Å |
| 308 | Q | 85.6 | Confident | 82.1 | Confident | 97 Ų | 97 | 106.4 Ų | 106.4 | 45% | 0.453 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.2 | -41.2 | 177.8 | -75 | -174.4 | 5.1 | 0 | 0 | 112 | I304 L305 Q306 R311 K312 | I304-Q308 WeakPolarHBondContact O-CG 3.45Å; I304-Q308 PolarHBondContact O-N 3.3Å; L305-Q308 PolarHBondContact O-N 3.4Å; L305-Q308 VanDerWaalsContact O-N 3.15Å; Q306-Q308 PolarHBondContact O-N 3.22Å; Q308-R311 CarbonylContact O-C 3.57Å; Q308-R311 WeakPolarHBondContact O-CA 3.24Å; Q308-R311 VanDerWaalsContact O-CB 3.28Å; Q308-R311 WeakPolarHBondContact O-CB 3.4Å; Q308-R311 PolarHBondContact O-N 2.81Å; Q308-R311 VanDerWaalsContact O-N 3.14Å; Q308-K312 PolarHBondContact O-N 3.26Å |
| 309 | E | 83.6 | Confident | 80.4 | Confident | 141 Ų | 141 | 103.5 Ų | 103.5 | 66% | 0.659 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.9 | -42.4 | 177.6 | -163.5 | 171.9 | -148 | 0 | 0 | 111.3 | L305 Q306 R311 K312 S313 | L305-E309 WeakPolarHBondContact O-CB 3.47Å; L305-E309 PolarHBondContact O-N 3.16Å; Q306-E309 PolarHBondContact O-N 2.98Å; E309-R311 VanDerWaalsContact C-N 3.27Å; E309-R311 PolarHBondContact O-N 2.93Å; E309-K312 PolarHBondContact O-N 2.97Å; E309-S313 WeakPolarHBondContact O-CB 3.32Å; E309-S313 PolarHBondContact O-N 3.38Å |
| 310 | L | 82.6 | Confident | 78.6 | Confident | 118 Ų | 118 | 108.3 Ų | 108.3 | 62% | 0.618 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.7 | -37.5 | 169.8 | -73 | 172.1 | 0 | 0 | 0 | 111.9 | Q306 K314 | Q306-L310 WeakPolarHBondContact O-CB 3.28Å; Q306-L310 VanDerWaalsContact O-CG 3.28Å; Q306-L310 WeakPolarHBondContact O-CG 3.44Å; Q306-L310 PolarHBondContact O-N 3.42Å; L310-K314 WeakPolarHBondContact O-CB 3.44Å; L310-K314 PolarHBondContact O-N 3.15Å |
| 311 | R | 80.9 | Confident | 76.7 | Confident | 150 Ų | 150 | 107.8 Ų | 107.8 | 57% | 0.566 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.1 | -46.4 | 174.2 | -113.6 | -176.3 | -84.1 | -177.1 | -7.3 | 112.2 | I307 Q308 E309 K314 E315 | I307-R311 WeakPolarHBondContact O-CB 3.36Å; I307-R311 PolarHBondContact O-N 2.97Å; Q308-R311 CarbonylContact O-C 3.57Å; Q308-R311 WeakPolarHBondContact O-CA 3.24Å; Q308-R311 VanDerWaalsContact O-CB 3.28Å; Q308-R311 WeakPolarHBondContact O-CB 3.4Å; Q308-R311 PolarHBondContact O-N 2.81Å; Q308-R311 VanDerWaalsContact O-N 3.14Å; E309-R311 VanDerWaalsContact C-N 3.27Å; E309-R311 PolarHBondContact O-N 2.93Å; R311-K314 CarbonylContact O-C 3.57Å; R311-K314 WeakPolarHBondContact O-CA 3.46Å; R311-K314 WeakPolarHBondContact O-CB 3.4Å; R311-K314 PolarHBondContact O-N 3.11Å; R311-K314 VanDerWaalsContact O-N 3.16Å; R311-E315 PolarHBondContact O-N 2.85Å |
| 312 | K | 80.3 | Confident | 74.3 | Confident | 135 Ų | 135 | 107.2 Ų | 107.2 | 59% | 0.587 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.4 | -43.8 | 174.2 | -78.6 | -177.9 | 178.7 | 175.9 | 0 | 111.8 | Q308 E309 K314 E315 D316 | Q308-K312 PolarHBondContact O-N 3.26Å; E309-K312 PolarHBondContact O-N 2.97Å; K312-K314 PolarHBondContact O-N 2.92Å; K312-E315 CarbonylContact O-C 3.53Å; K312-E315 WeakPolarHBondContact O-CA 3.46Å; K312-E315 PolarHBondContact O-N 3.47Å; K312-E315 VanDerWaalsContact O-N 3.08Å; K312-D316 WeakPolarHBondContact O-CB 3.44Å; K312-D316 PolarHBondContact O-N 2.84Å |
| 313 | S | 75.3 | Confident | 71.6 | Confident | 51 Ų | 51 | 107 Ų | 107 | 36% | 0.357 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.2 | -35.5 | 173.9 | -170.4 | 0 | 0 | 0 | 0 | 111.9 | E309 K317 | E309-S313 WeakPolarHBondContact O-CB 3.32Å; E309-S313 PolarHBondContact O-N 3.38Å; S313-K317 WeakPolarHBondContact O-CB 3.5Å; S313-K317 VanDerWaalsContact O-CG 3.24Å; S313-K317 WeakPolarHBondContact O-CG 3.33Å; S313-K317 PolarHBondContact O-N 2.87Å |
| 314 | K | 75.4 | Confident | 69.4 | Low | 141 Ų | 141 | 109.5 Ų | 109.5 | 61% | 0.613 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.2 | -40.3 | 173.1 | -169.2 | 179.4 | -179.4 | 179.7 | 0 | 111.8 | L310 R311 K312 K317 N318 | L310-K314 WeakPolarHBondContact O-CB 3.44Å; L310-K314 PolarHBondContact O-N 3.15Å; R311-K314 CarbonylContact O-C 3.57Å; R311-K314 WeakPolarHBondContact O-CA 3.46Å; R311-K314 WeakPolarHBondContact O-CB 3.4Å; R311-K314 PolarHBondContact O-N 3.11Å; R311-K314 VanDerWaalsContact O-N 3.16Å; K312-K314 PolarHBondContact O-N 2.92Å; K314-K317 PolarHBondContact O-N 3.08Å; K314-N318 WeakPolarHBondContact O-CB 3.45Å; K314-N318 VanDerWaalsContact O-CG 3.32Å; K314-N318 PolarHBondContact O-N 3.14Å |
| 315 | E | 70.6 | Confident | 67 | Low | 125 Ų | 125 | 118.6 Ų | 118.6 | 58% | 0.584 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66.8 | -39.9 | 173.6 | -77.1 | 174.5 | 173.9 | 0 | 0 | 112.6 | R311 K312 N318 A319 | R311-E315 PolarHBondContact O-N 2.85Å; K312-E315 CarbonylContact O-C 3.53Å; K312-E315 WeakPolarHBondContact O-CA 3.46Å; K312-E315 PolarHBondContact O-N 3.47Å; K312-E315 VanDerWaalsContact O-N 3.08Å; E315-N318 CarbonylContact O-C 3.44Å; E315-N318 WeakPolarHBondContact O-CA 3.48Å; E315-N318 WeakPolarHBondContact O-CB 3.47Å; E315-N318 PolarHBondContact O-N 3.06Å; E315-N318 VanDerWaalsContact O-N 3.11Å; E315-A319 WeakPolarHBondContact O-CB 3.39Å; E315-A319 PolarHBondContact O-N 3.32Å |
| 316 | D | 64.1 | Low | 64.7 | Low | 102 Ų | 102 | 124.1 Ų | 124.1 | 55% | 0.545 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67.8 | -35.8 | 174.7 | -74.7 | -26.6 | 0 | 0 | 0 | 112 | K312 N318 A319 K320 | K312-D316 WeakPolarHBondContact O-CB 3.44Å; K312-D316 PolarHBondContact O-N 2.84Å; D316-N318 VanDerWaalsContact C-N 3.33Å; D316-A319 PolarHBondContact O-N 2.63Å; D316-K320 WeakPolarHBondContact O-CB 3.43Å; D316-K320 WeakPolarHBondContact O-CG 3.47Å; D316-K320 PolarHBondContact O-N 3.17Å |
| 317 | K | 62.4 | Low | 62.5 | Low | 144 Ų | 144 | 130.4 Ų | 130.4 | 63% | 0.626 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.2 | -37.9 | 168.8 | -77.3 | 173.4 | -177.6 | 172.4 | 0 | 111.2 | S313 K314 S321 | S313-K317 WeakPolarHBondContact O-CB 3.5Å; S313-K317 VanDerWaalsContact O-CG 3.24Å; S313-K317 WeakPolarHBondContact O-CG 3.33Å; S313-K317 PolarHBondContact O-N 2.87Å; K314-K317 PolarHBondContact O-N 3.08Å; K317-S321 PolarHBondContact O-N 3.1Å; K317-S321 VanDerWaalsContact O-N 3.1Å |
| 318 | N | 57.2 | Low | 60.2 | Low | 97 Ų | 97 | 138.4 Ų | 138.4 | 52% | 0.519 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -69.8 | -36.1 | 173.6 | -75.9 | -9.2 | 0 | 0 | 0 | 112.3 | K314 E315 D316 S321 A322 | K314-N318 WeakPolarHBondContact O-CB 3.45Å; K314-N318 VanDerWaalsContact O-CG 3.32Å; K314-N318 PolarHBondContact O-N 3.14Å; E315-N318 CarbonylContact O-C 3.44Å; E315-N318 WeakPolarHBondContact O-CA 3.48Å; E315-N318 WeakPolarHBondContact O-CB 3.47Å; E315-N318 PolarHBondContact O-N 3.06Å; E315-N318 VanDerWaalsContact O-N 3.11Å; D316-N318 VanDerWaalsContact C-N 3.33Å; N318-S321 WeakPolarHBondContact O-CB 3.42Å; N318-S321 PolarHBondContact O-N 3.41Å; N318-S321 VanDerWaalsContact O-N 3.17Å; N318-S321 PolarHBondContact O-OG 3.41Å; N318-A322 PolarHBondContact O-N 2.72Å |
| 319 | A | 56.2 | Low | 58.9 | Low | 61 Ų | 61 | 140.5 Ų | 140.5 | 50% | 0.504 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -71.7 | -35.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E315 D316 S321 A322 | E315-A319 WeakPolarHBondContact O-CB 3.39Å; E315-A319 PolarHBondContact O-N 3.32Å; D316-A319 PolarHBondContact O-N 2.63Å; A319-S321 PolarHBondContact O-N 2.88Å; A319-A322 PolarHBondContact O-N 2.76Å |
| 320 | K | 53 | Low | 57.6 | Low | 183 Ų | 183 | 140.5 Ų | 140.5 | 80% | 0.796 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -69.7 | -18.2 | 168.8 | -75.9 | 177.1 | 179.6 | 173.6 | 0 | 113.3 | D316 A322 | D316-K320 WeakPolarHBondContact O-CB 3.43Å; D316-K320 WeakPolarHBondContact O-CG 3.47Å; D316-K320 PolarHBondContact O-N 3.17Å; K320-A322 VanDerWaalsContact C-N 3.34Å |
| 321 | S | 51.7 | Low | 56.3 | Low | 95 Ų | 95 | 141.7 Ų | 141.7 | 66% | 0.664 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -6 | 168 | 81.2 | 0 | 0 | 0 | 0 | 113.9 | K317 N318 A319 | K317-S321 PolarHBondContact O-N 3.1Å; K317-S321 VanDerWaalsContact O-N 3.1Å; N318-S321 WeakPolarHBondContact O-CB 3.42Å; N318-S321 PolarHBondContact O-N 3.41Å; N318-S321 VanDerWaalsContact O-N 3.17Å; N318-S321 PolarHBondContact O-OG 3.41Å; A319-S321 PolarHBondContact O-N 2.88Å |
| 322 | A | 43 | Very low | 54.8 | Low | 78 Ų | 78 | 141.2 Ų | 141.2 | 65% | 0.645 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -113.7 | 13.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | N318 A319 K320 P324 | N318-A322 PolarHBondContact O-N 2.72Å; A319-A322 PolarHBondContact O-N 2.76Å; K320-A322 VanDerWaalsContact C-N 3.34Å; A322-P324 WeakPolarHBondContact O-CD 3.5Å |
| 323 | A | 34.1 | Very low | 53.2 | Low | 81 Ų | 81 | 141.6 Ų | 141.6 | 67% | 0.669 | 70% | 0.704 | S | S | * | * | trans | -101.2 | 109.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 324 | P | 43.5 | Very low | 51.7 | Low | 120 Ų | 120 | 147.7 Ų | 147.7 | 78% | 0.779 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 128.3 | -177.2 | 28.5 | -29.6 | 0 | 0 | 0 | 112.4 | A322 | A322-P324 WeakPolarHBondContact O-CD 3.5Š|
| 325 | R | 42 | Very low | 50.1 | Low | 254 Ų | 254 | 148.1 Ų | 148.1 | 96% | 0.958 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 123.6 | 154.7 | -86.2 | -174.9 | 175.3 | -162.2 | -0.8 | 108.7 | ||
| 326 | R | 41.8 | Very low | 48.5 | Very low | 228 Ų | 228 | 149.9 Ų | 149.9 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 143.7 | 179.6 | -71.5 | -179.2 | 174.6 | -178.5 | -3 | 114.6 | ||
| 327 | R | 41.5 | Very low | 47.2 | Very low | 250 Ų | 250 | 153.9 Ų | 153.9 | 94% | 0.943 | 76% | 0.763 | S | S | * | * | trans | -138.7 | 132.3 | 132.8 | -69.6 | -176.6 | 176.8 | -172.7 | -1.1 | 104.3 | ||||
| 328 | Q | 39.6 | Very low | 45.8 | Very low | 256 Ų | 256 | 154.8 Ų | 154.8 | 100% | 1.196 | 78% | 0.776 | S | S | * | * | cis | -120.1 | 0 | 5 | -79.9 | 168.3 | -27.1 | 0 | 0 | 110 |
Retrieved 328 of 328 residues in 215.9 ms
(Link to these results)