| 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 | 47.1 | Very low | 49 | Very low | 229 Ų | 229 | 147.1 Ų | 147.1 | 100% | 1.128 | 84% | 0.837 | S | S | * | * | 0 | 105.4 | 0 | -66.7 | -64.2 | -129 | 0 | 0 | 105.3 | |||||
| 2 | D | 38.6 | Very low | 49 | Very low | 174 Ų | 174 | 144.9 Ų | 144.9 | 93% | 0.93 | 84% | 0.838 | S | S | * | * | trans | -175.1 | 108.2 | 151.6 | -86 | -22.4 | 0 | 0 | 0 | 106.8 | ||||
| 3 | S | 45.1 | Very low | 49.7 | Very low | 108 Ų | 108 | 150.5 Ų | 150.5 | 76% | 0.755 | 84% | 0.839 | S | S | * | * | trans | -100 | 153.3 | -175.8 | -71.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 4 | E | 46.2 | Very low | 49.9 | Very low | 173 Ų | 173 | 150.9 Ų | 150.9 | 81% | 0.808 | 84% | 0.838 | S | S | * | * | trans | 68.3 | 116.2 | 145.6 | -74.8 | 172.7 | -171.2 | 0 | 0 | 119.1 | ||||
| 5 | L | 49.9 | Very low | 50.5 | Low | 139 Ų | 139 | 151.5 Ų | 151.5 | 73% | 0.728 | 84% | 0.839 | S | S | * | * | 158.3 | 122.9 | 83.6 | -151.5 | 84.3 | 0 | 0 | 0 | 109.4 | |||||
| 6 | S | 45.3 | Very low | 50.9 | Low | 121 Ų | 121 | 149.1 Ų | 149.1 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | trans | -160.8 | 116.1 | 142.5 | 40.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 7 | Q | 54.5 | Low | 51.1 | Low | 181 Ų | 181 | 147 Ų | 147 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | -70.5 | 137.6 | 171.9 | -66.4 | 166.1 | -8.1 | 0 | 0 | 109.1 | ||||
| 8 | S | 50.3 | Low | 51.2 | Low | 116 Ų | 116 | 149.6 Ų | 149.6 | 81% | 0.811 | 83% | 0.831 | S | S | * | * | trans | -139.3 | 115.8 | 155.6 | -165.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 9 | M | 54.1 | Low | 51.2 | Low | 181 Ų | 181 | 154.6 Ų | 154.6 | 89% | 0.892 | 84% | 0.836 | S | S | * | * | trans | -81 | 111.4 | -179.6 | 177.3 | -169.5 | -58.7 | 0 | 0 | 108.6 | ||||
| 10 | V | 55.2 | Low | 50.8 | Low | 131 Ų | 131 | 155.9 Ų | 155.9 | 79% | 0.794 | 84% | 0.838 | S | S | * | * | trans | -141.1 | 117.2 | 163.7 | 179 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 11 | G | 52.4 | Low | 50.8 | Low | 65 Ų | 65 | 157.8 Ų | 157.8 | 67% | 0.67 | 84% | 0.842 | S | S | * | * | trans | -70.7 | 129.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y13 | G11-Y13 PolarHBondContact O-N 3.39Š| ||
| 12 | S | 49.2 | Very low | 50.4 | Low | 121 Ų | 121 | 154.6 Ų | 154.6 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | trans | -95.1 | 83.5 | 166.5 | 175.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 13 | Y | 57.8 | Low | 50.6 | Low | 217 Ų | 217 | 151.7 Ų | 151.7 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -75.7 | 120 | 152.7 | -72.8 | -88.5 | 0 | 0 | 0 | 106.8 | G11 | G11-Y13 PolarHBondContact O-N 3.39Š| ||
| 14 | L | 53.6 | Low | 50.3 | Low | 157 Ų | 157 | 152 Ų | 152 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | trans | 158.4 | 65.9 | 149.8 | -83 | 164.2 | 0 | 0 | 0 | 109.5 | ||||
| 15 | N | 58.2 | Low | 49.9 | Very low | 159 Ų | 159 | 152 Ų | 152 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | trans | -110.8 | 113.3 | 144.9 | -80.3 | -37 | 0 | 0 | 0 | 105.7 | ||||
| 16 | P | 56.5 | Low | 49.5 | Very low | 113 Ų | 113 | 151.9 Ų | 151.9 | 73% | 0.734 | 82% | 0.824 | S | S | * | * | trans | -67.3 | 138.9 | 170.3 | 27.5 | -29.8 | 0 | 0 | 0 | 108.6 | ||||
| 17 | P | 55.2 | Low | 49.1 | Very low | 114 Ų | 114 | 152.2 Ų | 152.2 | 74% | 0.74 | 81% | 0.812 | S | S | * | * | trans | -63 | 139.6 | 176.8 | 23.5 | -30.9 | 0 | 0 | 0 | 110.8 | R19 | P17-R19 PolarHBondContact O-N 3.03Š| ||
| 18 | E | 52.9 | Low | 48.1 | Very low | 193 Ų | 193 | 149.1 Ų | 149.1 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -49.4 | 109.1 | 164.5 | -88.1 | 175.7 | 151.5 | 0 | 0 | 108.8 | M20 | E18-M20 PolarHBondContact O-N 3.02Š| ||
| 19 | R | 51.6 | Low | 47.3 | Very low | 246 Ų | 246 | 150.9 Ų | 150.9 | 93% | 0.928 | 80% | 0.797 | S | S | * | * | trans | -72.9 | 104.2 | 174.3 | -73.2 | -165.7 | -164 | 167.1 | 5.9 | 108.9 | P17 | P17-R19 PolarHBondContact O-N 3.03Š| ||
| 20 | M | 43.3 | Very low | 46.5 | Very low | 179 Ų | 179 | 147.2 Ų | 147.2 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | 1.6 | 120 | 146.2 | -58.1 | -174.5 | -169.5 | 0 | 0 | 115.5 | E18 L22 | E18-M20 PolarHBondContact O-N 3.02Å; M20-L22 PolarHBondContact O-N 2.95Å | ||
| 21 | H | 49.5 | Very low | 45.6 | Very low | 197 Ų | 197 | 149.1 Ų | 149.1 | 91% | 0.912 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 122.1 | 160.1 | -71.9 | -64.5 | 0 | 0 | 0 | 110.7 | ||
| 22 | L | 39.1 | Very low | 45.2 | Very low | 162 Ų | 162 | 154.1 Ų | 154.1 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 126.2 | 166.3 | -163.2 | 70.3 | 0 | 0 | 0 | 108 | M20 S24 | M20-L22 PolarHBondContact O-N 2.95Å; L22-S24 PolarHBondContact O-N 2.76Å |
| 23 | P | 42.3 | Very low | 44.5 | Very low | 113 Ų | 113 | 154.9 Ų | 154.9 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 127.3 | 178.2 | 20.5 | -15.4 | 0 | 0 | 0 | 109.8 | F25 | P23-F25 PolarHBondContact O-N 3.05Š|
| 24 | S | 38.4 | Very low | 43.4 | Very low | 113 Ų | 113 | 150 Ų | 150 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -64.3 | 102.2 | 168.8 | -55.2 | 0 | 0 | 0 | 0 | 109.3 | L22 T26 | L22-S24 PolarHBondContact O-N 2.76Å; S24-T26 VanDerWaalsContact C-N 3.34Å; S24-T26 PolarHBondContact O-N 3.47Å; S24-T26 VanDerWaalsContact O-N 3.07Å | ||
| 25 | F | 38.4 | Very low | 43 | Very low | 173 Ų | 173 | 151.3 Ų | 151.3 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | -76.8 | 86.2 | 169.6 | -159.7 | -98 | 0 | 0 | 0 | 108.4 | P23 Q27 | P23-F25 PolarHBondContact O-N 3.05Å; F25-Q27 HydrophobicContact CD1-CB 3.91Å; F25-Q27 HydrophobicContact CE1-CB 3.53Å; F25-Q27 HydrophobicContact CE1-CG 4.13Å; F25-Q27 HydrophobicContact CZ-CB 4.3Å; F25-Q27 HydrophobicContact CZ-CG 4.48Å; F25-Q27 PolarHBondContact O-N 3.45Å | ||
| 26 | T | 42.4 | Very low | 42.5 | Very low | 138 Ų | 138 | 149.9 Ų | 149.9 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | trans | -80.5 | 107.9 | 161.3 | 49.8 | 0 | 0 | 0 | 0 | 107.3 | S24 | S24-T26 VanDerWaalsContact C-N 3.34Å; S24-T26 PolarHBondContact O-N 3.47Å; S24-T26 VanDerWaalsContact O-N 3.07Å | ||
| 27 | Q | 37.2 | Very low | 41.7 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 59% | 0.593 | 79% | 0.789 | S | S | * | * | trans | -124.6 | 138.9 | 166.9 | -147.9 | -163.1 | -23 | 0 | 0 | 111.1 | F25 | F25-Q27 HydrophobicContact CD1-CB 3.91Å; F25-Q27 HydrophobicContact CE1-CB 3.53Å; F25-Q27 HydrophobicContact CE1-CG 4.13Å; F25-Q27 HydrophobicContact CZ-CB 4.3Å; F25-Q27 HydrophobicContact CZ-CG 4.48Å; F25-Q27 PolarHBondContact O-N 3.45Å | ||
| 28 | N | 31.6 | Very low | 40.9 | Very low | 117 Ų | 117 | 148.7 Ų | 148.7 | 63% | 0.626 | 79% | 0.793 | S | S | * | * | trans | 94.9 | 93.5 | 163.7 | -58.1 | -23.5 | 0 | 0 | 0 | 114.6 | ||||
| 29 | E | 34.7 | Very low | 40.7 | Very low | 153 Ų | 153 | 145.4 Ų | 145.4 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | 59.1 | 95.7 | 74.9 | -67.1 | -165.9 | 149.4 | 0 | 0 | 111.8 | F31 | E29-F31 HydrophobicContact CB-CD2 4.27Å; E29-F31 HydrophobicContact CB-CE2 4.38Å; E29-F31 HydrophobicContact CG-CE2 4.32Å | |||
| 30 | A | 36.3 | Very low | 40.5 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -90.8 | 105.4 | 159.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 31 | F | 37.6 | Very low | 40.6 | Very low | 171 Ų | 171 | 139.5 Ų | 139.5 | 75% | 0.75 | 78% | 0.777 | S | S | * | * | trans | -107.8 | 136.3 | 159.3 | -77.5 | -76.8 | 0 | 0 | 0 | 109.8 | E29 | E29-F31 HydrophobicContact CB-CD2 4.27Å; E29-F31 HydrophobicContact CB-CE2 4.38Å; E29-F31 HydrophobicContact CG-CE2 4.32Å | ||
| 32 | Q | 43.9 | Very low | 40.8 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -56.7 | 143 | -179.6 | -65.6 | 158.9 | -16.5 | 0 | 0 | 113.2 | ||||
| 33 | N | 34.8 | Very low | 40.9 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | 167.7 | 144.3 | 105.3 | -93.2 | -53.6 | 0 | 0 | 0 | 114.9 | |||||
| 34 | C | 33.7 | Very low | 41.6 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | trans | 64.4 | 116.4 | 146.5 | -62.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 35 | H | 46.3 | Very low | 42.2 | Very low | 184 Ų | 184 | 137.8 Ų | 137.8 | 85% | 0.852 | 75% | 0.754 | S | S | * | * | trans | -55.4 | 150.3 | 149.2 | -63.6 | -66.1 | 0 | 0 | 0 | 110.6 | ||||
| 36 | P | 46.5 | Very low | 43.3 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 83% | 0.831 | 75% | 0.751 | S | S | * | * | -153.6 | 160.5 | 63.8 | 37.2 | -15.2 | 0 | 0 | 0 | 118 | |||||
| 37 | G | 41 | Very low | 44.5 | Very low | 67 Ų | 67 | 134.3 Ų | 134.3 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | trans | 86.3 | 131 | 138.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 38 | T | 36.7 | Very low | 46.2 | Very low | 136 Ų | 136 | 132 Ų | 132 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | trans | 74.1 | 123.5 | 154.7 | 47 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 39 | P | 50 | Low | 48.6 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 81% | 0.805 | 74% | 0.739 | S | S | * | * | trans | -84.7 | 128.4 | 169.7 | 33.6 | -27.9 | 0 | 0 | 0 | 110.1 | K41 | P39-K41 PolarHBondContact O-N 2.99Š| ||
| 40 | P | 47.8 | Very low | 51 | Low | 124 Ų | 124 | 128.9 Ų | 128.9 | 81% | 0.805 | 73% | 0.727 | S | S | * | * | trans | -87.4 | 110.9 | 173.3 | -0.1 | 18.8 | 0 | 0 | 0 | 110.4 | ||||
| 41 | K | 45.3 | Very low | 53.5 | Low | 176 Ų | 176 | 128.6 Ų | 128.6 | 77% | 0.765 | 71% | 0.711 | S | S | * | * | trans | 30.8 | 115.5 | 138.7 | -92.7 | 169.6 | 171.7 | 170.9 | 0 | 117.4 | P39 F43 | P39-K41 PolarHBondContact O-N 2.99Å; K41-F43 HydrophobicContact CB-CE2 4.42Å; K41-F43 WeakPolarHBondContact O-CD2 3.43Å; K41-F43 PolarHBondContact O-N 3.42Å | ||
| 42 | M | 52.4 | Low | 55.9 | Low | 181 Ų | 181 | 124.1 Ų | 124.1 | 89% | 0.892 | 70% | 0.697 | S | S | * | * | trans | -50 | 107.8 | 160 | -58.4 | -179 | -155 | 0 | 0 | 110.5 | ||||
| 43 | F | 41.5 | Very low | 58.1 | Low | 157 Ų | 157 | 119 Ų | 119 | 69% | 0.689 | 68% | 0.68 | S | S | * | * | trans | -93.8 | 93.8 | 164.1 | -82.6 | -82.5 | 0 | 0 | 0 | 108.6 | K41 S45 N48 | K41-F43 HydrophobicContact CB-CE2 4.42Å; K41-F43 WeakPolarHBondContact O-CD2 3.43Å; K41-F43 PolarHBondContact O-N 3.42Å; F43-S45 PolarHBondContact O-N 2.89Å; F43-N48 PolarHBondContact O-ND2 2.98Å | ||
| 44 | N | 56.2 | Low | 60.8 | Low | 158 Ų | 158 | 115.2 Ų | 115.2 | 85% | 0.845 | 67% | 0.668 | S | S | * | * | trans | -74.8 | 78.4 | 166.4 | -74.9 | -13.4 | 0 | 0 | 0 | 109 | ||||
| 45 | S | 52.2 | Low | 63.6 | Low | 53 Ų | 53 | 114 Ų | 114 | 37% | 0.371 | 65% | 0.653 | S | S | . | * | trans | -95.3 | 137 | 164.5 | 173.9 | 0 | 0 | 0 | 0 | 108.7 | F43 N47 N48 Q49 | F43-S45 PolarHBondContact O-N 2.89Å; S45-N47 PolarHBondContact O-N 3.25Å; S45-N48 WeakPolarHBondContact O-CB 3.3Å; S45-N48 PolarHBondContact O-N 2.9Å; S45-Q49 PolarHBondContact O-N 3.03Å | ||
| 46 | P | 61.9 | Low | 65.9 | Low | 108 Ų | 108 | 112 Ų | 112 | 70% | 0.701 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -50.3 | -29.1 | 176.6 | -25.7 | 32.3 | 0 | 0 | 0 | 113.5 | Q49 A50 | P46-Q49 PolarHBondContact O-N 3.44Å; P46-A50 PolarHBondContact O-N 3.45Å |
| 47 | N | 66.8 | Low | 68.2 | Low | 131 Ų | 131 | 110.2 Ų | 110.2 | 70% | 0.701 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69.8 | -34.2 | 178.3 | -140.3 | 4 | 0 | 0 | 0 | 113 | S45 L51 | S45-N47 PolarHBondContact O-N 3.25Å; N47-L51 WeakPolarHBondContact O-CB 3.4Å; N47-L51 PolarHBondContact O-N 3.29Å; N47-L51 VanDerWaalsContact O-N 3.13Å |
| 48 | N | 74 | Confident | 70.9 | Confident | 78 Ų | 78 | 111.6 Ų | 111.6 | 42% | 0.417 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -70.7 | -35.1 | 175.6 | -82.3 | -29.1 | 0 | 0 | 0 | 111.9 | F43 S45 L51 V52 | F43-N48 PolarHBondContact O-ND2 2.98Å; S45-N48 WeakPolarHBondContact O-CB 3.3Å; S45-N48 PolarHBondContact O-N 2.9Å; N48-L51 PolarHBondContact O-N 3.45Å; N48-V52 VanDerWaalsContact O-CG2 3.3Å; N48-V52 WeakPolarHBondContact O-CG2 3.44Å; N48-V52 PolarHBondContact O-N 2.77Å |
| 49 | Q | 82.1 | Confident | 73.7 | Confident | 148 Ų | 148 | 111.4 Ų | 111.4 | 69% | 0.692 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.9 | -37.1 | 178.9 | -166.7 | 167.8 | 15.7 | 0 | 0 | 112.2 | S45 P46 S53 | S45-Q49 PolarHBondContact O-N 3.03Å; P46-Q49 PolarHBondContact O-N 3.44Å; Q49-S53 WeakPolarHBondContact O-CB 3.39Å; Q49-S53 PolarHBondContact O-N 2.98Å; Q49-S53 PolarHBondContact O-OG 2.9Å |
| 50 | A | 84.2 | Confident | 76 | Confident | 56 Ų | 56 | 109 Ų | 109 | 46% | 0.463 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.6 | -42.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P46 S53 A54 | P46-A50 PolarHBondContact O-N 3.45Å; A50-S53 PolarHBondContact O-N 3.5Å; A50-A54 WeakPolarHBondContact O-CB 3.47Å; A50-A54 PolarHBondContact O-N 3.24Å |
| 51 | L | 88.7 | Confident | 78.3 | Confident | 98 Ų | 98 | 109.7 Ų | 109.7 | 51% | 0.513 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.4 | -48.6 | 176.4 | 179.5 | 63.6 | 0 | 0 | 0 | 112.4 | N47 N48 S53 A54 L55 | N47-L51 WeakPolarHBondContact O-CB 3.4Å; N47-L51 PolarHBondContact O-N 3.29Å; N47-L51 VanDerWaalsContact O-N 3.13Å; N48-L51 PolarHBondContact O-N 3.45Å; L51-S53 VanDerWaalsContact C-N 3.28Å; L51-S53 PolarHBondContact O-N 3.04Å; L51-A54 PolarHBondContact O-N 2.79Å; L51-L55 HydrophobicContact CD1-CD1 4.47Å; L51-L55 HydrophobicContact CG-CD1 4.29Å; L51-L55 WeakPolarHBondContact O-CG 3.46Å; L51-L55 PolarHBondContact O-N 3.38Å |
| 52 | V | 87.4 | Confident | 80.8 | Confident | 77 Ų | 77 | 105 Ų | 105 | 47% | 0.467 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.2 | -36.9 | 177.1 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | N48 K56 | N48-V52 VanDerWaalsContact O-CG2 3.3Å; N48-V52 WeakPolarHBondContact O-CG2 3.44Å; N48-V52 PolarHBondContact O-N 2.77Å; V52-K56 WeakPolarHBondContact O-CG 3.49Å; V52-K56 PolarHBondContact O-N 3.29Å |
| 53 | S | 89.8 | Confident | 82.9 | Confident | 62 Ų | 62 | 102.2 Ų | 102.2 | 43% | 0.434 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.7 | -39.3 | 176.4 | -57.3 | 0 | 0 | 0 | 0 | 112.4 | Q49 A50 L51 K56 T57 | Q49-S53 WeakPolarHBondContact O-CB 3.39Å; Q49-S53 PolarHBondContact O-N 2.98Å; Q49-S53 PolarHBondContact O-OG 2.9Å; A50-S53 PolarHBondContact O-N 3.5Å; L51-S53 VanDerWaalsContact C-N 3.28Å; L51-S53 PolarHBondContact O-N 3.04Å; S53-K56 PolarHBondContact O-N 3.13Å; S53-T57 WeakPolarHBondContact O-CB 3.47Å; S53-T57 PolarHBondContact O-N 2.93Å; S53-T57 PolarHBondContact O-OG1 2.95Å |
| 54 | A | 91.6 | Very high | 85.6 | Confident | 57 Ų | 57 | 101.1 Ų | 101.1 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | A50 L51 T57 L58 | A50-A54 WeakPolarHBondContact O-CB 3.47Å; A50-A54 PolarHBondContact O-N 3.24Å; L51-A54 PolarHBondContact O-N 2.79Å; A54-T57 PolarHBondContact O-N 3.31Å; A54-L58 WeakPolarHBondContact O-CB 3.47Å; A54-L58 PolarHBondContact O-N 2.97Å |
| 55 | L | 94.1 | Very high | 87.6 | Confident | 92 Ų | 92 | 98.7 Ų | 98.7 | 48% | 0.482 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 175.7 | -72.5 | 171.7 | 0 | 0 | 0 | 112.2 | L51 T57 L58 Q59 | L51-L55 HydrophobicContact CD1-CD1 4.47Å; L51-L55 HydrophobicContact CG-CD1 4.29Å; L51-L55 WeakPolarHBondContact O-CG 3.46Å; L51-L55 PolarHBondContact O-N 3.38Å; L55-T57 VanDerWaalsContact C-N 3.31Å; L55-T57 PolarHBondContact O-N 3.49Å; L55-L58 PolarHBondContact O-N 3.35Å; L55-Q59 WeakPolarHBondContact O-CG 3.41Å; L55-Q59 PolarHBondContact O-N 3.03Å |
| 56 | K | 93.3 | Very high | 89.7 | Confident | 141 Ų | 141 | 101 Ų | 101 | 61% | 0.613 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.9 | -41.2 | 173.8 | -76 | -178.2 | 178.8 | -175.8 | 0 | 112 | V52 S53 L58 Q59 E60 | V52-K56 WeakPolarHBondContact O-CG 3.49Å; V52-K56 PolarHBondContact O-N 3.29Å; S53-K56 PolarHBondContact O-N 3.13Å; K56-L58 VanDerWaalsContact C-N 3.34Å; K56-Q59 PolarHBondContact O-N 3.16Å; K56-E60 PolarHBondContact O-N 3.48Å |
| 57 | T | 95.9 | Very high | 91.4 | Very high | 91 Ų | 91 | 100.7 Ų | 100.7 | 56% | 0.558 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.1 | -40.2 | 176.6 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | S53 A54 L55 K61 | S53-T57 WeakPolarHBondContact O-CB 3.47Å; S53-T57 PolarHBondContact O-N 2.93Å; S53-T57 PolarHBondContact O-OG1 2.95Å; A54-T57 PolarHBondContact O-N 3.31Å; L55-T57 VanDerWaalsContact C-N 3.31Å; L55-T57 PolarHBondContact O-N 3.49Å; T57-K61 PolarHBondContact O-N 3.24Å |
| 58 | L | 97 | Very high | 92.9 | Very high | 95 Ų | 95 | 99.1 Ų | 99.1 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.2 | -44.6 | 176.9 | -176.8 | 63.3 | 0 | 0 | 0 | 111.7 | A54 L55 K56 E60 K61 I62 | A54-L58 WeakPolarHBondContact O-CB 3.47Å; A54-L58 PolarHBondContact O-N 2.97Å; L55-L58 PolarHBondContact O-N 3.35Å; K56-L58 VanDerWaalsContact C-N 3.34Å; L58-E60 PolarHBondContact O-N 2.87Å; L58-K61 WeakPolarHBondContact O-CB 3.39Å; L58-K61 PolarHBondContact O-N 2.87Å; L58-I62 HydrophobicContact CD1-CD1 4.43Å; L58-I62 HydrophobicContact CG-CD1 4.03Å; L58-I62 WeakPolarHBondContact O-CG1 3.45Å; L58-I62 PolarHBondContact O-N 3.19Å |
| 59 | Q | 96.4 | Very high | 94 | Very high | 132 Ų | 132 | 102.7 Ų | 102.7 | 62% | 0.617 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59 | -44.5 | 176 | -77.7 | 178 | -30.2 | 0 | 0 | 112 | L55 K56 K61 I62 R63 | L55-Q59 WeakPolarHBondContact O-CG 3.41Å; L55-Q59 PolarHBondContact O-N 3.03Å; K56-Q59 PolarHBondContact O-N 3.16Å; Q59-K61 VanDerWaalsContact C-N 3.34Å; Q59-K61 PolarHBondContact O-N 3.46Å; Q59-I62 PolarHBondContact O-N 2.88Å; Q59-R63 WeakPolarHBondContact O-CB 3.43Å; Q59-R63 PolarHBondContact O-N 2.94Å |
| 60 | E | 96.6 | Very high | 94.7 | Very high | 75 Ų | 75 | 98.6 Ų | 98.6 | 35% | 0.35 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.5 | -36.2 | 176.5 | 178.9 | 54.4 | -157.9 | 0 | 0 | 112.1 | K56 L58 R63 R64 | K56-E60 PolarHBondContact O-N 3.48Å; L58-E60 PolarHBondContact O-N 2.87Å; E60-R63 PolarHBondContact O-N 3.28Å; E60-R63 IonicContact OE1-CZ 3.54Å; E60-R63 IonicContact OE1-NE 3.45Å; E60-R63 PolarHBondContact OE1-NE 3.44Å; E60-R63 IonicContact OE1-NH2 2.77Å; E60-R63 PolarHBondContact OE1-NH2 3.03Å; E60-R63 IonicContact OE2-CZ 3.75Å; E60-R63 IonicContact OE2-NE 2.9Å; E60-R63 PolarHBondContact OE2-NE 3.25Å; E60-R63 IonicContact OE2-NH2 3.71Å; E60-R64 WeakPolarHBondContact O-CB 3.44Å; E60-R64 PolarHBondContact O-N 3.42Å |
| 61 | K | 97.6 | Very high | 95.4 | Very high | 137 Ų | 137 | 101.3 Ų | 101.3 | 60% | 0.596 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.7 | -44.7 | 172.3 | -104.9 | -175.9 | 175.9 | -177.3 | 0 | 112.2 | T57 L58 Q59 R64 L65 | T57-K61 PolarHBondContact O-N 3.24Å; L58-K61 WeakPolarHBondContact O-CB 3.39Å; L58-K61 PolarHBondContact O-N 2.87Å; Q59-K61 VanDerWaalsContact C-N 3.34Å; Q59-K61 PolarHBondContact O-N 3.46Å; K61-R64 PolarHBondContact O-N 2.87Å; K61-L65 WeakPolarHBondContact O-CB 3.46Å; K61-L65 WeakPolarHBondContact O-CG 3.39Å; K61-L65 PolarHBondContact O-N 3.46Å |
| 62 | I | 96.4 | Very high | 95.8 | Very high | 79 Ų | 79 | 99.4 Ų | 99.4 | 41% | 0.405 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.8 | -49.8 | 176.8 | -69.4 | 165.7 | 0 | 0 | 0 | 109.6 | L58 Q59 R64 L65 E66 | L58-I62 HydrophobicContact CD1-CD1 4.43Å; L58-I62 HydrophobicContact CG-CD1 4.03Å; L58-I62 WeakPolarHBondContact O-CG1 3.45Å; L58-I62 PolarHBondContact O-N 3.19Å; Q59-I62 PolarHBondContact O-N 2.88Å; I62-R64 VanDerWaalsContact C-N 3.28Å; I62-R64 PolarHBondContact O-N 3.43Å; I62-L65 PolarHBondContact O-N 3.45Å; I62-L65 VanDerWaalsContact O-N 3.12Å; I62-E66 HydrophobicContact CG2-CG 4.32Å; I62-E66 WeakPolarHBondContact O-CG 3.33Å; I62-E66 PolarHBondContact O-N 3.28Å |
| 63 | R | 97.1 | Very high | 96.3 | Very high | 121 Ų | 121 | 100.9 Ų | 100.9 | 46% | 0.457 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56.7 | -41.7 | 178.1 | -167.9 | -159.9 | 68 | 73.7 | 1.7 | 112.1 | Q59 E60 L67 | Q59-R63 WeakPolarHBondContact O-CB 3.43Å; Q59-R63 PolarHBondContact O-N 2.94Å; E60-R63 PolarHBondContact O-N 3.28Å; E60-R63 IonicContact OE1-CZ 3.54Å; E60-R63 IonicContact OE1-NE 3.45Å; E60-R63 PolarHBondContact OE1-NE 3.44Å; E60-R63 IonicContact OE1-NH2 2.77Å; E60-R63 PolarHBondContact OE1-NH2 3.03Å; E60-R63 IonicContact OE2-CZ 3.75Å; E60-R63 IonicContact OE2-NE 2.9Å; E60-R63 PolarHBondContact OE2-NE 3.25Å; E60-R63 IonicContact OE2-NH2 3.71Å; R63-L67 PolarHBondContact O-N 3.32Å; R63-L67 VanDerWaalsContact O-N 3.16Å |
| 64 | R | 97.9 | Very high | 96.7 | Very high | 135 Ų | 135 | 102.6 Ų | 102.6 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.8 | -45.5 | 176.7 | -170 | -177.6 | -58.5 | -174.5 | -0.2 | 111.9 | E60 K61 I62 E66 L67 E68 | E60-R64 WeakPolarHBondContact O-CB 3.44Å; E60-R64 PolarHBondContact O-N 3.42Å; K61-R64 PolarHBondContact O-N 2.87Å; I62-R64 VanDerWaalsContact C-N 3.28Å; I62-R64 PolarHBondContact O-N 3.43Å; R64-E66 VanDerWaalsContact C-N 3.33Å; R64-E66 PolarHBondContact O-N 3.46Å; R64-L67 WeakPolarHBondContact O-CB 3.42Å; R64-L67 PolarHBondContact O-N 2.94Å; R64-E68 WeakPolarHBondContact CG-OE1 3.44Å; R64-E68 WeakPolarHBondContact O-CG 3.49Å; R64-E68 PolarHBondContact O-N 3Å |
| 65 | L | 97.8 | Very high | 97 | Very high | 106 Ų | 106 | 104.2 Ų | 104.2 | 56% | 0.555 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.4 | -37.9 | 177.8 | -74.1 | 170.5 | 0 | 0 | 0 | 112.3 | K61 I62 E68 R69 | K61-L65 WeakPolarHBondContact O-CB 3.46Å; K61-L65 WeakPolarHBondContact O-CG 3.39Å; K61-L65 PolarHBondContact O-N 3.46Å; I62-L65 PolarHBondContact O-N 3.45Å; I62-L65 VanDerWaalsContact O-N 3.12Å; L65-E68 PolarHBondContact O-N 2.94Å; L65-R69 VanDerWaalsContact O-CB 3.28Å; L65-R69 WeakPolarHBondContact O-CB 3.37Å; L65-R69 PolarHBondContact O-N 3.12Å |
| 66 | E | 97.4 | Very high | 97.2 | Very high | 101 Ų | 101 | 105 Ų | 105 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 175.1 | -73.3 | 173.9 | 163.8 | 0 | 0 | 111.7 | I62 R64 R69 T70 | I62-E66 HydrophobicContact CG2-CG 4.32Å; I62-E66 WeakPolarHBondContact O-CG 3.33Å; I62-E66 PolarHBondContact O-N 3.28Å; R64-E66 VanDerWaalsContact C-N 3.33Å; R64-E66 PolarHBondContact O-N 3.46Å; E66-R69 PolarHBondContact O-N 2.94Å; E66-T70 PolarHBondContact O-N 2.85Å; E66-T70 PolarHBondContact O-OG1 3.47Å |
| 67 | L | 97.7 | Very high | 97.4 | Very high | 103 Ų | 103 | 102.4 Ų | 102.4 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.8 | -48 | 175.3 | -178.3 | 66.4 | 0 | 0 | 0 | 111.7 | R63 R64 R69 T70 Q71 | R63-L67 PolarHBondContact O-N 3.32Å; R63-L67 VanDerWaalsContact O-N 3.16Å; R64-L67 WeakPolarHBondContact O-CB 3.42Å; R64-L67 PolarHBondContact O-N 2.94Å; L67-R69 VanDerWaalsContact C-N 3.3Å; L67-R69 PolarHBondContact O-N 3.49Å; L67-T70 PolarHBondContact O-N 3.49Å; L67-Q71 WeakPolarHBondContact O-CB 3.33Å; L67-Q71 PolarHBondContact O-N 3.26Å |
| 68 | E | 97.8 | Very high | 97.5 | Very high | 98 Ų | 98 | 101.8 Ų | 101.8 | 46% | 0.458 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.8 | -38.3 | 177.1 | -72.8 | 171.3 | -170.2 | 0 | 0 | 111.5 | R64 L65 Q71 A72 | R64-E68 WeakPolarHBondContact CG-OE1 3.44Å; R64-E68 WeakPolarHBondContact O-CG 3.49Å; R64-E68 PolarHBondContact O-N 3Å; L65-E68 PolarHBondContact O-N 2.94Å; E68-Q71 PolarHBondContact O-N 3.5Å; E68-A72 VanDerWaalsContact O-CB 3.32Å; E68-A72 WeakPolarHBondContact O-CB 3.28Å; E68-A72 PolarHBondContact O-N 3.48Å |
| 69 | R | 97.9 | Very high | 97.6 | Very high | 153 Ų | 153 | 102.7 Ų | 102.7 | 58% | 0.577 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.4 | -50.6 | 174.8 | -174.8 | -160.7 | 69.2 | -167.4 | -4.9 | 111 | L65 E66 L67 Q71 A72 E73 | L65-R69 VanDerWaalsContact O-CB 3.28Å; L65-R69 WeakPolarHBondContact O-CB 3.37Å; L65-R69 PolarHBondContact O-N 3.12Å; E66-R69 PolarHBondContact O-N 2.94Å; L67-R69 VanDerWaalsContact C-N 3.3Å; L67-R69 PolarHBondContact O-N 3.49Å; R69-Q71 VanDerWaalsContact C-N 3.32Å; R69-Q71 PolarHBondContact O-N 2.9Å; R69-A72 PolarHBondContact O-N 3.31Å; R69-E73 WeakPolarHBondContact O-CB 3.43Å; R69-E73 PolarHBondContact O-N 3.24Å |
| 70 | T | 97.1 | Very high | 97.6 | Very high | 61 Ų | 61 | 99.5 Ų | 99.5 | 37% | 0.374 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 178.6 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | E66 L67 A72 E73 D74 | E66-T70 PolarHBondContact O-N 2.85Å; E66-T70 PolarHBondContact O-OG1 3.47Å; L67-T70 PolarHBondContact O-N 3.49Å; T70-A72 PolarHBondContact O-N 2.9Å; T70-E73 PolarHBondContact O-N 3.34Å; T70-D74 PolarHBondContact O-N 3.09Å |
| 71 | Q | 97.8 | Very high | 97.7 | Very high | 113 Ų | 113 | 102.7 Ų | 102.7 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 175.3 | -174.3 | 178.9 | 6.4 | 0 | 0 | 112.5 | L67 E68 R69 E73 D74 N75 | L67-Q71 WeakPolarHBondContact O-CB 3.33Å; L67-Q71 PolarHBondContact O-N 3.26Å; E68-Q71 PolarHBondContact O-N 3.5Å; R69-Q71 VanDerWaalsContact C-N 3.32Å; R69-Q71 PolarHBondContact O-N 2.9Å; Q71-E73 VanDerWaalsContact C-N 3.31Å; Q71-E73 PolarHBondContact O-N 2.86Å; Q71-D74 PolarHBondContact O-N 2.96Å; Q71-N75 WeakPolarHBondContact O-CB 3.32Å; Q71-N75 PolarHBondContact O-N 3.11Å; Q71-N75 PolarHBondContact O-ND2 2.98Å |
| 72 | A | 97.9 | Very high | 97.7 | Very high | 59 Ų | 59 | 99.8 Ų | 99.8 | 49% | 0.488 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.7 | -37.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E68 R69 T70 N75 L76 | E68-A72 VanDerWaalsContact O-CB 3.32Å; E68-A72 WeakPolarHBondContact O-CB 3.28Å; E68-A72 PolarHBondContact O-N 3.48Å; R69-A72 PolarHBondContact O-N 3.31Å; T70-A72 PolarHBondContact O-N 2.9Å; A72-N75 PolarHBondContact O-N 3.34Å; A72-L76 WeakPolarHBondContact O-CB 3.43Å; A72-L76 PolarHBondContact O-N 2.88Å |
| 73 | E | 97.6 | Very high | 97.8 | Very high | 107 Ų | 107 | 98.8 Ų | 98.8 | 50% | 0.5 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.8 | -43.5 | 176.8 | -167.8 | 164.4 | -157.2 | 0 | 0 | 111.8 | R69 T70 Q71 N75 L76 N77 | R69-E73 WeakPolarHBondContact O-CB 3.43Å; R69-E73 PolarHBondContact O-N 3.24Å; T70-E73 PolarHBondContact O-N 3.34Å; Q71-E73 VanDerWaalsContact C-N 3.31Å; Q71-E73 PolarHBondContact O-N 2.86Å; E73-N75 PolarHBondContact O-N 2.93Å; E73-L76 PolarHBondContact O-N 3.49Å; E73-N77 WeakPolarHBondContact O-CB 3.34Å; E73-N77 PolarHBondContact O-N 2.92Å; E73-N77 PolarHBondContact O-ND2 3.04Å; E73-N77 VanDerWaalsContact O-ND2 3.09Å |
| 74 | D | 97.6 | Very high | 97.9 | Very high | 98 Ų | 98 | 95.9 Ų | 95.9 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 173.6 | -73.4 | -24.3 | 0 | 0 | 0 | 111.8 | T70 Q71 N77 L78 | T70-D74 PolarHBondContact O-N 3.09Å; Q71-D74 PolarHBondContact O-N 2.96Å; D74-N77 PolarHBondContact O-N 3.08Å; D74-L78 PolarHBondContact O-N 3.37Å |
| 75 | N | 97.9 | Very high | 97.9 | Very high | 91 Ų | 91 | 95.2 Ų | 95.2 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 175.4 | -72.4 | -18.8 | 0 | 0 | 0 | 111.8 | Q71 A72 E73 N77 L78 L79 | Q71-N75 WeakPolarHBondContact O-CB 3.32Å; Q71-N75 PolarHBondContact O-N 3.11Å; Q71-N75 PolarHBondContact O-ND2 2.98Å; A72-N75 PolarHBondContact O-N 3.34Å; E73-N75 PolarHBondContact O-N 2.93Å; N75-N77 VanDerWaalsContact C-N 3.34Å; N75-L78 PolarHBondContact O-N 2.99Å; N75-L79 WeakPolarHBondContact O-CB 3.39Å; N75-L79 PolarHBondContact O-N 3.35Å |
| 76 | L | 97.8 | Very high | 97.9 | Very high | 110 Ų | 110 | 98.3 Ų | 98.3 | 58% | 0.576 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.9 | -39.9 | 176.9 | -179.8 | 63.8 | 0 | 0 | 0 | 111.7 | A72 E73 L79 S80 | A72-L76 WeakPolarHBondContact O-CB 3.43Å; A72-L76 PolarHBondContact O-N 2.88Å; E73-L76 PolarHBondContact O-N 3.49Å; L76-L79 PolarHBondContact O-N 3.47Å; L76-S80 WeakPolarHBondContact O-CB 3.47Å; L76-S80 PolarHBondContact O-N 3.28Å; L76-S80 PolarHBondContact O-OG 2.91Å |
| 77 | N | 97.9 | Very high | 97.9 | Very high | 86 Ų | 86 | 100.6 Ų | 100.6 | 46% | 0.46 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 175.8 | -78.4 | -43.1 | 0 | 0 | 0 | 111.9 | E73 D74 N75 R81 | E73-N77 WeakPolarHBondContact O-CB 3.34Å; E73-N77 PolarHBondContact O-N 2.92Å; E73-N77 PolarHBondContact O-ND2 3.04Å; E73-N77 VanDerWaalsContact O-ND2 3.09Å; D74-N77 PolarHBondContact O-N 3.08Å; N75-N77 VanDerWaalsContact C-N 3.34Å; N77-R81 PolarHBondContact O-N 3.07Å; N77-R81 VanDerWaalsContact O-N 3.11Å |
| 78 | L | 98.1 | Very high | 97.9 | Very high | 77 Ų | 77 | 101.6 Ų | 101.6 | 40% | 0.403 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -50.7 | 174.1 | 179.8 | 63.2 | 0 | 0 | 0 | 110.9 | D74 N75 S80 R81 E82 | D74-L78 PolarHBondContact O-N 3.37Å; N75-L78 PolarHBondContact O-N 2.99Å; L78-S80 VanDerWaalsContact C-N 3.31Å; L78-S80 PolarHBondContact O-N 3.09Å; L78-R81 WeakPolarHBondContact O-CB 3.37Å; L78-R81 PolarHBondContact O-N 3.32Å; L78-R81 VanDerWaalsContact O-N 3.08Å; L78-E82 PolarHBondContact O-N 2.99Å |
| 79 | L | 98.2 | Very high | 97.9 | Very high | 114 Ų | 114 | 99.4 Ų | 99.4 | 60% | 0.597 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.6 | -38.3 | -179.1 | -153.4 | 76.3 | 0 | 0 | 0 | 111.8 | N75 L76 R81 E82 A83 | N75-L79 WeakPolarHBondContact O-CB 3.39Å; N75-L79 PolarHBondContact O-N 3.35Å; L76-L79 PolarHBondContact O-N 3.47Å; L79-R81 VanDerWaalsContact C-N 3.33Å; L79-R81 PolarHBondContact O-N 3.42Å; L79-E82 PolarHBondContact O-N 2.91Å; L79-A83 VanDerWaalsContact O-CB 3.27Å; L79-A83 WeakPolarHBondContact O-CB 3.36Å; L79-A83 PolarHBondContact O-N 3.48Å |
| 80 | S | 98 | Very high | 98 | Very high | 66 Ų | 66 | 97.1 Ų | 97.1 | 46% | 0.462 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 174.2 | -70.2 | 0 | 0 | 0 | 0 | 112.2 | L76 L78 A84 | L76-S80 WeakPolarHBondContact O-CB 3.47Å; L76-S80 PolarHBondContact O-N 3.28Å; L76-S80 PolarHBondContact O-OG 2.91Å; L78-S80 VanDerWaalsContact C-N 3.31Å; L78-S80 PolarHBondContact O-N 3.09Å; S80-A84 WeakPolarHBondContact O-CB 3.46Å; S80-A84 PolarHBondContact O-N 2.86Å |
| 81 | R | 98.2 | Very high | 98 | Very high | 141 Ų | 141 | 99.7 Ų | 99.7 | 53% | 0.532 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.4 | -45.1 | 177.3 | -166.4 | -173.1 | -54.8 | 116.2 | 3.8 | 111.4 | N77 L78 L79 A84 Q85 | N77-R81 PolarHBondContact O-N 3.07Å; N77-R81 VanDerWaalsContact O-N 3.11Å; L78-R81 WeakPolarHBondContact O-CB 3.37Å; L78-R81 PolarHBondContact O-N 3.32Å; L78-R81 VanDerWaalsContact O-N 3.08Å; L79-R81 VanDerWaalsContact C-N 3.33Å; L79-R81 PolarHBondContact O-N 3.42Å; R81-A84 PolarHBondContact O-N 3.48Å; R81-Q85 WeakPolarHBondContact O-CG 3.1Å; R81-Q85 PolarHBondContact O-N 3.44Å |
| 82 | E | 98.1 | Very high | 98 | Very high | 76 Ų | 76 | 98.9 Ų | 98.9 | 36% | 0.355 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 176.3 | -71.7 | 177.7 | -175.3 | 0 | 0 | 111.2 | L78 L79 A84 Q85 Y86 | L78-E82 PolarHBondContact O-N 2.99Å; L79-E82 PolarHBondContact O-N 2.91Å; E82-A84 VanDerWaalsContact C-N 3.3Å; E82-A84 PolarHBondContact O-N 3.29Å; E82-Q85 WeakPolarHBondContact O-CB 3.38Å; E82-Q85 PolarHBondContact O-N 2.91Å; E82-Q85 VanDerWaalsContact O-N 3.09Å; E82-Y86 HydrophobicContact CB-CE2 4.35Å; E82-Y86 WeakPolarHBondContact O-CD2 2.83Å; E82-Y86 PolarHBondContact O-N 3.2Å |
| 83 | A | 98.1 | Very high | 98 | Very high | 58 Ų | 58 | 101.2 Ų | 101.2 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.4 | -40.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L79 Y86 K87 | L79-A83 VanDerWaalsContact O-CB 3.27Å; L79-A83 WeakPolarHBondContact O-CB 3.36Å; L79-A83 PolarHBondContact O-N 3.48Å; A83-Y86 PolarHBondContact O-N 3.37Å; A83-K87 WeakPolarHBondContact O-CB 3.43Å; A83-K87 PolarHBondContact O-N 3.09Å |
| 84 | A | 98.1 | Very high | 98 | Very high | 60 Ų | 60 | 98.2 Ų | 98.2 | 50% | 0.496 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S80 R81 E82 K88 | S80-A84 WeakPolarHBondContact O-CB 3.46Å; S80-A84 PolarHBondContact O-N 2.86Å; R81-A84 PolarHBondContact O-N 3.48Å; E82-A84 VanDerWaalsContact C-N 3.3Å; E82-A84 PolarHBondContact O-N 3.29Å; A84-K88 WeakPolarHBondContact O-CB 3.46Å; A84-K88 PolarHBondContact O-N 3.23Å |
| 85 | Q | 98.1 | Very high | 98 | Very high | 121 Ų | 121 | 98 Ų | 98 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.2 | -45.2 | 175.8 | -72.4 | 175.8 | 3.9 | 0 | 0 | 112 | R81 E82 K87 K88 A89 | R81-Q85 WeakPolarHBondContact O-CG 3.1Å; R81-Q85 PolarHBondContact O-N 3.44Å; E82-Q85 WeakPolarHBondContact O-CB 3.38Å; E82-Q85 PolarHBondContact O-N 2.91Å; E82-Q85 VanDerWaalsContact O-N 3.09Å; Q85-K87 VanDerWaalsContact C-N 3.34Å; Q85-K87 PolarHBondContact O-N 3.38Å; Q85-K88 PolarHBondContact O-N 2.95Å; Q85-A89 PolarHBondContact O-N 2.99Å |
| 86 | Y | 98.1 | Very high | 98 | Very high | 171 Ų | 171 | 100.4 Ų | 100.4 | 67% | 0.671 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.5 | -42.7 | 175.7 | -76 | -64.6 | 0 | 0 | 0 | 112.2 | E82 A83 K88 A89 L90 | E82-Y86 HydrophobicContact CB-CE2 4.35Å; E82-Y86 WeakPolarHBondContact O-CD2 2.83Å; E82-Y86 PolarHBondContact O-N 3.2Å; A83-Y86 PolarHBondContact O-N 3.37Å; Y86-K88 VanDerWaalsContact C-N 3.31Å; Y86-K88 PolarHBondContact O-N 3.03Å; Y86-A89 PolarHBondContact O-N 3.03Å; Y86-L90 WeakPolarHBondContact O-CB 3.27Å; Y86-L90 PolarHBondContact O-N 2.92Å |
| 87 | K | 98.1 | Very high | 98 | Very high | 149 Ų | 149 | 100.7 Ų | 100.7 | 65% | 0.648 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.5 | -45.7 | 175.4 | -176.8 | -178.3 | 175.5 | -175.7 | 0 | 111.1 | A83 Q85 L90 E91 | A83-K87 WeakPolarHBondContact O-CB 3.43Å; A83-K87 PolarHBondContact O-N 3.09Å; Q85-K87 VanDerWaalsContact C-N 3.34Å; Q85-K87 PolarHBondContact O-N 3.38Å; K87-L90 PolarHBondContact O-N 3.45Å; K87-E91 PolarHBondContact O-N 3.47Å; K87-E91 VanDerWaalsContact O-N 3.09Å |
| 88 | K | 98.2 | Very high | 98 | Very high | 124 Ų | 124 | 100.9 Ų | 100.9 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.7 | -48.2 | 178.2 | -178.8 | 178.7 | 168.9 | -178.5 | 0 | 111.9 | A84 Q85 Y86 L90 E91 E92 | A84-K88 WeakPolarHBondContact O-CB 3.46Å; A84-K88 PolarHBondContact O-N 3.23Å; Q85-K88 PolarHBondContact O-N 2.95Å; Y86-K88 VanDerWaalsContact C-N 3.31Å; Y86-K88 PolarHBondContact O-N 3.03Å; K88-L90 VanDerWaalsContact C-N 3.3Å; K88-L90 PolarHBondContact O-N 3.44Å; K88-E91 PolarHBondContact O-N 2.98Å; K88-E92 WeakPolarHBondContact CE-OE1 3.32Å; K88-E92 IonicContact NZ-OE1 2.75Å; K88-E92 WeakPolarHBondContact O-CG 3.5Å; K88-E92 PolarHBondContact O-N 2.98Å |
| 89 | A | 98.1 | Very high | 98 | Very high | 52 Ų | 52 | 102.3 Ų | 102.3 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -39.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q85 Y86 E92 E93 | Q85-A89 PolarHBondContact O-N 2.99Å; Y86-A89 PolarHBondContact O-N 3.03Å; A89-E92 PolarHBondContact O-N 3.22Å; A89-E93 WeakPolarHBondContact O-CB 3.4Å; A89-E93 PolarHBondContact O-N 3.41Å |
| 90 | L | 98 | Very high | 98 | Very high | 106 Ų | 106 | 99.4 Ų | 99.4 | 56% | 0.555 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.5 | -38 | 177.3 | -175.3 | 66.9 | 0 | 0 | 0 | 112.6 | Y86 K87 K88 T94 | Y86-L90 WeakPolarHBondContact O-CB 3.27Å; Y86-L90 PolarHBondContact O-N 2.92Å; K87-L90 PolarHBondContact O-N 3.45Å; K88-L90 VanDerWaalsContact C-N 3.3Å; K88-L90 PolarHBondContact O-N 3.44Å; L90-T94 WeakPolarHBondContact O-CB 3.46Å; L90-T94 PolarHBondContact O-N 3.29Å; L90-T94 PolarHBondContact O-OG1 3.03Å |
| 91 | E | 97.9 | Very high | 98 | Very high | 115 Ų | 115 | 101.7 Ų | 101.7 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.7 | -43.6 | 175.6 | -171.5 | 172.3 | -177.4 | 0 | 0 | 111.1 | K87 K88 T94 N95 | K87-E91 PolarHBondContact O-N 3.47Å; K87-E91 VanDerWaalsContact O-N 3.09Å; K88-E91 PolarHBondContact O-N 2.98Å; E91-T94 PolarHBondContact O-N 2.94Å; E91-N95 WeakPolarHBondContact O-CB 3.38Å; E91-N95 VanDerWaalsContact O-CG 3.23Å; E91-N95 PolarHBondContact O-N 3.12Å; E91-N95 PolarHBondContact O-ND2 3.27Å |
| 92 | E | 97.9 | Very high | 98 | Very high | 96 Ų | 96 | 101.2 Ų | 101.2 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60 | -50.5 | 174.6 | -73.1 | 173.1 | 172.9 | 0 | 0 | 111.7 | K88 A89 T94 N95 E96 | K88-E92 WeakPolarHBondContact CE-OE1 3.32Å; K88-E92 IonicContact NZ-OE1 2.75Å; K88-E92 WeakPolarHBondContact O-CG 3.5Å; K88-E92 PolarHBondContact O-N 2.98Å; A89-E92 PolarHBondContact O-N 3.22Å; E92-T94 PolarHBondContact O-N 2.92Å; E92-N95 PolarHBondContact O-N 3.28Å; E92-N95 VanDerWaalsContact O-N 3.12Å; E92-E96 PolarHBondContact O-N 3.29Å |
| 93 | E | 98 | Very high | 98 | Very high | 107 Ų | 107 | 102 Ų | 102 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59 | -37.9 | 177.3 | -165.6 | -151.2 | 122 | 0 | 0 | 111.6 | A89 R97 | A89-E93 WeakPolarHBondContact O-CB 3.4Å; A89-E93 PolarHBondContact O-N 3.41Å; E93-R97 WeakPolarHBondContact O-CB 3.32Å; E93-R97 PolarHBondContact O-N 2.88Å; E93-R97 IonicContact OE1-CZ 2.88Å; E93-R97 IonicContact OE1-NE 3.85Å; E93-R97 IonicContact OE1-NH2 3.74Å; E93-R97 PolarHBondContact OE1-NH2 3.25Å |
| 94 | T | 97.9 | Very high | 98 | Very high | 45 Ų | 45 | 104.2 Ų | 104.2 | 28% | 0.276 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.5 | -40.2 | 177.5 | -64.1 | 0 | 0 | 0 | 0 | 112.4 | L90 E91 E92 R97 N98 | L90-T94 WeakPolarHBondContact O-CB 3.46Å; L90-T94 PolarHBondContact O-N 3.29Å; L90-T94 PolarHBondContact O-OG1 3.03Å; E91-T94 PolarHBondContact O-N 2.94Å; E92-T94 PolarHBondContact O-N 2.92Å; T94-R97 PolarHBondContact O-N 3.49Å; T94-R97 PolarHBondContact OG1-NH1 2.97Å; T94-R97 PolarHBondContact OG1-NH2 2.95Å; T94-N98 WeakPolarHBondContact O-CB 3.42Å; T94-N98 PolarHBondContact O-N 3.41Å; T94-N98 PolarHBondContact O-ND2 2.97Å |
| 95 | N | 97.8 | Very high | 98 | Very high | 93 Ų | 93 | 104.6 Ų | 104.6 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 175.8 | -70.5 | -27.4 | 0 | 0 | 0 | 111.6 | E91 E92 N98 L99 | E91-N95 WeakPolarHBondContact O-CB 3.38Å; E91-N95 VanDerWaalsContact O-CG 3.23Å; E91-N95 PolarHBondContact O-N 3.12Å; E91-N95 PolarHBondContact O-ND2 3.27Å; E92-N95 PolarHBondContact O-N 3.28Å; E92-N95 VanDerWaalsContact O-N 3.12Å; N95-N98 PolarHBondContact O-N 2.85Å; N95-L99 WeakPolarHBondContact O-CB 3.31Å; N95-L99 PolarHBondContact O-N 2.98Å |
| 96 | E | 97.9 | Very high | 98.1 | Very high | 141 Ų | 141 | 104.6 Ų | 104.6 | 66% | 0.659 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.6 | -46.1 | 174.8 | -74.6 | -175.9 | 176.4 | 0 | 0 | 111.7 | E92 N98 L99 A100 | E92-E96 PolarHBondContact O-N 3.29Å; E96-N98 VanDerWaalsContact C-N 3.32Å; E96-N98 PolarHBondContact O-N 2.89Å; E96-L99 PolarHBondContact O-N 3.45Å; E96-A100 WeakPolarHBondContact O-CB 3.5Å; E96-A100 PolarHBondContact O-N 3.18Å |
| 97 | R | 97.7 | Very high | 98.1 | Very high | 116 Ų | 116 | 101 Ų | 101 | 44% | 0.438 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 177 | -165.5 | -170.1 | -39.7 | 104.4 | 5.7 | 111.9 | E93 T94 A100 H101 | E93-R97 WeakPolarHBondContact O-CB 3.32Å; E93-R97 PolarHBondContact O-N 2.88Å; E93-R97 IonicContact OE1-CZ 2.88Å; E93-R97 IonicContact OE1-NE 3.85Å; E93-R97 IonicContact OE1-NH2 3.74Å; E93-R97 PolarHBondContact OE1-NH2 3.25Å; T94-R97 PolarHBondContact O-N 3.49Å; T94-R97 PolarHBondContact OG1-NH1 2.97Å; T94-R97 PolarHBondContact OG1-NH2 2.95Å; R97-A100 PolarHBondContact O-N 3.44Å; R97-H101 WeakPolarHBondContact O-CB 3.44Å; R97-H101 PolarHBondContact O-N 3.46Å |
| 98 | N | 97.8 | Very high | 98.1 | Very high | 90 Ų | 90 | 101.5 Ų | 101.5 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 178 | -71.8 | -21.6 | 0 | 0 | 0 | 111.6 | T94 N95 E96 H101 Q102 | T94-N98 WeakPolarHBondContact O-CB 3.42Å; T94-N98 PolarHBondContact O-N 3.41Å; T94-N98 PolarHBondContact O-ND2 2.97Å; N95-N98 PolarHBondContact O-N 2.85Å; E96-N98 VanDerWaalsContact C-N 3.32Å; E96-N98 PolarHBondContact O-N 2.89Å; N98-H101 PolarHBondContact O-N 3.31Å; N98-Q102 WeakPolarHBondContact O-CB 3.44Å; N98-Q102 PolarHBondContact O-N 2.94Å |
| 99 | L | 98.1 | Very high | 98.1 | Very high | 107 Ų | 107 | 102 Ų | 102 | 56% | 0.56 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.4 | -47.3 | 176.7 | -175.5 | 63.1 | 0 | 0 | 0 | 111.4 | N95 E96 H101 Q102 E103 | N95-L99 WeakPolarHBondContact O-CB 3.31Å; N95-L99 PolarHBondContact O-N 2.98Å; E96-L99 PolarHBondContact O-N 3.45Å; L99-H101 VanDerWaalsContact C-N 3.28Å; L99-H101 PolarHBondContact O-N 3.21Å; L99-Q102 PolarHBondContact O-N 2.87Å; L99-Q102 VanDerWaalsContact O-N 3.14Å; L99-E103 PolarHBondContact O-N 3.14Å |
| 100 | A | 98.1 | Very high | 98.1 | Very high | 53 Ų | 53 | 103 Ų | 103 | 44% | 0.438 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.9 | -40.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E96 R97 E103 L104 | E96-A100 WeakPolarHBondContact O-CB 3.5Å; E96-A100 PolarHBondContact O-N 3.18Å; R97-A100 PolarHBondContact O-N 3.44Å; A100-E103 PolarHBondContact O-N 3.35Å; A100-L104 WeakPolarHBondContact O-CB 3.45Å; A100-L104 VanDerWaalsContact O-CG 3.31Å; A100-L104 WeakPolarHBondContact O-CG 3.36Å; A100-L104 PolarHBondContact O-N 2.91Å |
| 101 | H | 98.2 | Very high | 98.2 | Very high | 115 Ų | 115 | 103.1 Ų | 103.1 | 53% | 0.532 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 175.7 | -173.1 | 65.4 | 0 | 0 | 0 | 112.4 | R97 N98 L99 L104 I105 | R97-H101 WeakPolarHBondContact O-CB 3.44Å; R97-H101 PolarHBondContact O-N 3.46Å; N98-H101 PolarHBondContact O-N 3.31Å; L99-H101 VanDerWaalsContact C-N 3.28Å; L99-H101 PolarHBondContact O-N 3.21Å; H101-L104 PolarHBondContact O-N 2.97Å; H101-I105 WeakPolarHBondContact NE2-CD1 3.41Å; H101-I105 WeakPolarHBondContact O-CG1 3.34Å; H101-I105 PolarHBondContact O-N 3.5Å |
| 102 | Q | 98.3 | Very high | 98.2 | Very high | 131 Ų | 131 | 101.2 Ų | 101.2 | 61% | 0.612 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.3 | -42.1 | 177.5 | -168.3 | 176.1 | 37.2 | 0 | 0 | 111.9 | N98 L99 I105 K106 | N98-Q102 WeakPolarHBondContact O-CB 3.44Å; N98-Q102 PolarHBondContact O-N 2.94Å; L99-Q102 PolarHBondContact O-N 2.87Å; L99-Q102 VanDerWaalsContact O-N 3.14Å; Q102-I105 PolarHBondContact O-N 2.97Å; Q102-K106 PolarHBondContact O-N 3.3Å |
| 103 | E | 98.1 | Very high | 98.2 | Very high | 91 Ų | 91 | 101.8 Ų | 101.8 | 43% | 0.425 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 174.5 | -163.8 | 80.7 | -137.1 | 0 | 0 | 110.7 | L99 A100 I105 K106 Q107 | L99-E103 PolarHBondContact O-N 3.14Å; A100-E103 PolarHBondContact O-N 3.35Å; E103-I105 PolarHBondContact O-N 2.96Å; E103-K106 WeakPolarHBondContact O-CB 3.5Å; E103-K106 PolarHBondContact O-N 3.37Å; E103-Q107 WeakPolarHBondContact O-CG 3.27Å; E103-Q107 PolarHBondContact O-N 2.9Å |
| 104 | L | 98.3 | Very high | 98.2 | Very high | 105 Ų | 105 | 103.3 Ų | 103.3 | 55% | 0.55 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 176.4 | -77.3 | 170.8 | 0 | 0 | 0 | 112.4 | A100 H101 K106 Q107 K108 | A100-L104 WeakPolarHBondContact O-CB 3.45Å; A100-L104 VanDerWaalsContact O-CG 3.31Å; A100-L104 WeakPolarHBondContact O-CG 3.36Å; A100-L104 PolarHBondContact O-N 2.91Å; H101-L104 PolarHBondContact O-N 2.97Å; L104-K106 VanDerWaalsContact C-N 3.32Å; L104-K106 PolarHBondContact O-N 2.93Å; L104-Q107 PolarHBondContact O-N 3.06Å; L104-K108 VanDerWaalsContact O-CB 3.29Å; L104-K108 WeakPolarHBondContact O-CB 3.29Å; L104-K108 PolarHBondContact O-N 3.38Å |
| 105 | I | 98.3 | Very high | 98.3 | Very high | 69 Ų | 69 | 105.9 Ų | 105.9 | 35% | 0.354 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 175.3 | -72.9 | 167.9 | 0 | 0 | 0 | 110.6 | H101 Q102 E103 K108 K109 | H101-I105 WeakPolarHBondContact NE2-CD1 3.41Å; H101-I105 WeakPolarHBondContact O-CG1 3.34Å; H101-I105 PolarHBondContact O-N 3.5Å; Q102-I105 PolarHBondContact O-N 2.97Å; E103-I105 PolarHBondContact O-N 2.96Å; I105-K108 PolarHBondContact O-N 3.49Å; I105-K109 HydrophobicContact CG2-CD 4.27Å; I105-K109 WeakPolarHBondContact O-CG 3.38Å; I105-K109 PolarHBondContact O-N 3.49Å |
| 106 | K | 98.4 | Very high | 98.3 | Very high | 121 Ų | 121 | 104.1 Ų | 104.1 | 53% | 0.526 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -51 | 178.6 | -176.4 | -173.9 | 172.8 | -167.4 | 0 | 110.8 | Q102 E103 L104 K108 K109 D110 | Q102-K106 PolarHBondContact O-N 3.3Å; E103-K106 WeakPolarHBondContact O-CB 3.5Å; E103-K106 PolarHBondContact O-N 3.37Å; L104-K106 VanDerWaalsContact C-N 3.32Å; L104-K106 PolarHBondContact O-N 2.93Å; K106-K108 VanDerWaalsContact C-N 3.3Å; K106-K108 PolarHBondContact O-N 3.27Å; K106-K109 WeakPolarHBondContact O-CB 3.42Å; K106-K109 PolarHBondContact O-N 3.49Å; K106-D110 PolarHBondContact O-N 3.4Å |
| 107 | Q | 98.4 | Very high | 98.4 | Very high | 94 Ų | 94 | 101.1 Ų | 101.1 | 44% | 0.439 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57 | -43.7 | 176.4 | -70.6 | 176.4 | 8 | 0 | 0 | 111.9 | E103 L104 K109 D110 I111 | E103-Q107 WeakPolarHBondContact O-CG 3.27Å; E103-Q107 PolarHBondContact O-N 2.9Å; L104-Q107 PolarHBondContact O-N 3.06Å; Q107-K109 VanDerWaalsContact C-N 3.32Å; Q107-K109 PolarHBondContact O-N 3.33Å; Q107-D110 PolarHBondContact O-N 3.01Å; Q107-I111 WeakPolarHBondContact O-CB 3.38Å; Q107-I111 VanDerWaalsContact O-CG1 3.27Å; Q107-I111 WeakPolarHBondContact O-CG1 3.36Å; Q107-I111 PolarHBondContact O-N 3.43Å |
| 108 | K | 98.5 | Very high | 98.4 | Very high | 161 Ų | 161 | 98 Ų | 98 | 70% | 0.7 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.4 | -40.6 | 176.3 | -176.2 | 180 | 177.4 | -180 | 0 | 112.1 | L104 I105 K106 S112 | L104-K108 VanDerWaalsContact O-CB 3.29Å; L104-K108 WeakPolarHBondContact O-CB 3.29Å; L104-K108 PolarHBondContact O-N 3.38Å; I105-K108 PolarHBondContact O-N 3.49Å; K106-K108 VanDerWaalsContact C-N 3.3Å; K106-K108 PolarHBondContact O-N 3.27Å; K108-S112 WeakPolarHBondContact O-CB 3.47Å; K108-S112 PolarHBondContact O-N 2.92Å |
| 109 | K | 98.6 | Very high | 98.5 | Very high | 134 Ų | 134 | 98.8 Ų | 98.8 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.7 | -45.5 | 176 | -74 | 176.1 | 179.3 | -178.9 | 0 | 111.3 | I105 K106 Q107 I111 S112 I113 | I105-K109 HydrophobicContact CG2-CD 4.27Å; I105-K109 WeakPolarHBondContact O-CG 3.38Å; I105-K109 PolarHBondContact O-N 3.49Å; K106-K109 WeakPolarHBondContact O-CB 3.42Å; K106-K109 PolarHBondContact O-N 3.49Å; Q107-K109 VanDerWaalsContact C-N 3.32Å; Q107-K109 PolarHBondContact O-N 3.33Å; K109-I111 PolarHBondContact O-N 2.96Å; K109-S112 WeakPolarHBondContact O-CB 3.4Å; K109-S112 PolarHBondContact O-N 3.38Å; K109-S112 VanDerWaalsContact O-N 3.17Å; K109-I113 WeakPolarHBondContact O-CG1 3.31Å; K109-I113 PolarHBondContact O-N 3.01Å |
| 110 | D | 98.4 | Very high | 98.5 | Very high | 72 Ų | 72 | 97.4 Ų | 97.4 | 39% | 0.385 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -44.6 | -179.7 | -66.2 | -18.8 | 0 | 0 | 0 | 111.3 | K106 Q107 S112 I113 Q114 | K106-D110 PolarHBondContact O-N 3.4Å; Q107-D110 PolarHBondContact O-N 3.01Å; D110-S112 VanDerWaalsContact C-N 3.32Å; D110-S112 PolarHBondContact O-N 3.05Å; D110-I113 PolarHBondContact O-N 3.41Å; D110-Q114 WeakPolarHBondContact O-CG 3.25Å; D110-Q114 PolarHBondContact O-N 3.27Å |
| 111 | I | 98.6 | Very high | 98.5 | Very high | 109 Ų | 109 | 103.2 Ų | 103.2 | 56% | 0.559 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.4 | -42.7 | 174.3 | -68.8 | 166.9 | 0 | 0 | 0 | 110.9 | Q107 K109 I113 Q114 L115 | Q107-I111 WeakPolarHBondContact O-CB 3.38Å; Q107-I111 VanDerWaalsContact O-CG1 3.27Å; Q107-I111 WeakPolarHBondContact O-CG1 3.36Å; Q107-I111 PolarHBondContact O-N 3.43Å; K109-I111 PolarHBondContact O-N 2.96Å; I111-I113 VanDerWaalsContact C-N 3.34Å; I111-I113 PolarHBondContact O-N 3.47Å; I111-Q114 PolarHBondContact O-N 3.44Å; I111-L115 WeakPolarHBondContact O-CB 3.37Å; I111-L115 PolarHBondContact O-N 3.4Å |
| 112 | S | 98.7 | Very high | 98.5 | Very high | 75 Ų | 75 | 101 Ų | 101 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 177.9 | -170.3 | 0 | 0 | 0 | 0 | 112.3 | K108 K109 D110 L115 S116 | K108-S112 WeakPolarHBondContact O-CB 3.47Å; K108-S112 PolarHBondContact O-N 2.92Å; K109-S112 WeakPolarHBondContact O-CB 3.4Å; K109-S112 PolarHBondContact O-N 3.38Å; K109-S112 VanDerWaalsContact O-N 3.17Å; D110-S112 VanDerWaalsContact C-N 3.32Å; D110-S112 PolarHBondContact O-N 3.05Å; S112-L115 PolarHBondContact O-N 2.87Å; S112-S116 PolarHBondContact O-N 2.98Å |
| 113 | I | 98.5 | Very high | 98.6 | Very high | 109 Ų | 109 | 98.8 Ų | 98.8 | 56% | 0.559 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.2 | -44.8 | 175.8 | -66.8 | 165.6 | 0 | 0 | 0 | 110.7 | K109 D110 I111 L115 S116 S117 | K109-I113 WeakPolarHBondContact O-CG1 3.31Å; K109-I113 PolarHBondContact O-N 3.01Å; D110-I113 PolarHBondContact O-N 3.41Å; I111-I113 VanDerWaalsContact C-N 3.34Å; I111-I113 PolarHBondContact O-N 3.47Å; I113-L115 VanDerWaalsContact C-N 3.31Å; I113-L115 PolarHBondContact O-N 3.29Å; I113-S116 PolarHBondContact O-N 3.17Å; I113-S116 PolarHBondContact O-OG 2.86Å; I113-S116 VanDerWaalsContact O-OG 3.04Å; I113-S117 WeakPolarHBondContact O-CB 3.4Å; I113-S117 PolarHBondContact O-N 3.33Å |
| 114 | Q | 98.6 | Very high | 98.6 | Very high | 138 Ų | 138 | 99.1 Ų | 99.1 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.1 | -41 | 177.1 | -71.8 | -178.3 | 14 | 0 | 0 | 111.7 | D110 I111 S117 A118 | D110-Q114 WeakPolarHBondContact O-CG 3.25Å; D110-Q114 PolarHBondContact O-N 3.27Å; I111-Q114 PolarHBondContact O-N 3.44Å; Q114-S117 PolarHBondContact O-N 3.41Å; Q114-A118 VanDerWaalsContact O-CB 3.31Å; Q114-A118 WeakPolarHBondContact O-CB 3.41Å; Q114-A118 PolarHBondContact O-N 2.86Å |
| 115 | L | 98.7 | Very high | 98.6 | Very high | 99 Ų | 99 | 98.1 Ų | 98.1 | 52% | 0.518 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 178 | -174.5 | 64.3 | 0 | 0 | 0 | 111.5 | I111 S112 I113 S117 A118 Q119 | I111-L115 WeakPolarHBondContact O-CB 3.37Å; I111-L115 PolarHBondContact O-N 3.4Å; S112-L115 PolarHBondContact O-N 2.87Å; I113-L115 VanDerWaalsContact C-N 3.31Å; I113-L115 PolarHBondContact O-N 3.29Å; L115-S117 VanDerWaalsContact C-N 3.33Å; L115-S117 PolarHBondContact O-N 2.99Å; L115-A118 PolarHBondContact O-N 3.04Å; L115-Q119 WeakPolarHBondContact O-CB 3.38Å; L115-Q119 VanDerWaalsContact O-CG 3.25Å; L115-Q119 WeakPolarHBondContact O-CG 3.37Å; L115-Q119 PolarHBondContact O-N 3.45Å |
| 116 | S | 98.6 | Very high | 98.6 | Very high | 57 Ų | 57 | 100.9 Ų | 100.9 | 40% | 0.399 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.3 | -36.4 | 178.8 | 76.7 | 0 | 0 | 0 | 0 | 112.2 | S112 I113 S120 | S112-S116 PolarHBondContact O-N 2.98Å; I113-S116 PolarHBondContact O-N 3.17Å; I113-S116 PolarHBondContact O-OG 2.86Å; I113-S116 VanDerWaalsContact O-OG 3.04Å; S116-S120 WeakPolarHBondContact O-CB 3.36Å; S116-S120 PolarHBondContact O-N 3.3Å; S116-S120 PolarHBondContact O-OG 3.18Å |
| 117 | S | 98.7 | Very high | 98.7 | Very high | 78 Ų | 78 | 102 Ų | 102 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.6 | -47 | 173.6 | -176.2 | 0 | 0 | 0 | 0 | 111.5 | I113 Q114 L115 S120 R121 | I113-S117 WeakPolarHBondContact O-CB 3.4Å; I113-S117 PolarHBondContact O-N 3.33Å; Q114-S117 PolarHBondContact O-N 3.41Å; L115-S117 VanDerWaalsContact C-N 3.33Å; L115-S117 PolarHBondContact O-N 2.99Å; S117-S120 PolarHBondContact O-N 3.22Å; S117-R121 PolarHBondContact O-N 3.36Å |
| 118 | A | 98.7 | Very high | 98.7 | Very high | 49 Ų | 49 | 102.6 Ų | 102.6 | 41% | 0.405 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q114 L115 S120 R121 C122 | Q114-A118 VanDerWaalsContact O-CB 3.31Å; Q114-A118 WeakPolarHBondContact O-CB 3.41Å; Q114-A118 PolarHBondContact O-N 2.86Å; L115-A118 PolarHBondContact O-N 3.04Å; A118-S120 PolarHBondContact O-N 2.95Å; A118-R121 WeakPolarHBondContact O-CB 3.39Å; A118-R121 PolarHBondContact O-N 3.48Å; A118-C122 PolarHBondContact O-N 2.74Å; A118-C122 PolarHBondContact O-SG 2.9Å |
| 119 | Q | 98.8 | Very high | 98.7 | Very high | 108 Ų | 108 | 99.6 Ų | 99.6 | 51% | 0.505 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58 | -47.6 | 174.2 | -76.3 | 173.5 | -23.5 | 0 | 0 | 111.8 | L115 R121 C122 I123 | L115-Q119 WeakPolarHBondContact O-CB 3.38Å; L115-Q119 VanDerWaalsContact O-CG 3.25Å; L115-Q119 WeakPolarHBondContact O-CG 3.37Å; L115-Q119 PolarHBondContact O-N 3.45Å; Q119-R121 VanDerWaalsContact C-N 3.28Å; Q119-R121 PolarHBondContact O-N 3.3Å; Q119-C122 PolarHBondContact O-N 2.86Å; Q119-I123 WeakPolarHBondContact O-CG1 3.47Å; Q119-I123 PolarHBondContact O-N 3.04Å |
| 120 | S | 98.8 | Very high | 98.7 | Very high | 78 Ų | 78 | 97.5 Ų | 97.5 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.5 | -40.8 | 177.6 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | S116 S117 A118 L124 | S116-S120 WeakPolarHBondContact O-CB 3.36Å; S116-S120 PolarHBondContact O-N 3.3Å; S116-S120 PolarHBondContact O-OG 3.18Å; S117-S120 PolarHBondContact O-N 3.22Å; A118-S120 PolarHBondContact O-N 2.95Å; S120-L124 PolarHBondContact O-N 3.13Å; S120-L124 VanDerWaalsContact O-N 3.13Å |
| 121 | R | 98.8 | Very high | 98.7 | Very high | 175 Ų | 175 | 101.3 Ų | 101.3 | 66% | 0.66 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.2 | -44.3 | 175.3 | -177.6 | 179.1 | 175.5 | 90.4 | 1.2 | 111.8 | S117 A118 Q119 L124 L125 | S117-R121 PolarHBondContact O-N 3.36Å; A118-R121 WeakPolarHBondContact O-CB 3.39Å; A118-R121 PolarHBondContact O-N 3.48Å; Q119-R121 VanDerWaalsContact C-N 3.28Å; Q119-R121 PolarHBondContact O-N 3.3Å; R121-L124 PolarHBondContact O-N 2.96Å; R121-L125 HydrophobicContact CG-CD1 4.18Å; R121-L125 WeakPolarHBondContact O-CG 3.33Å; R121-L125 PolarHBondContact O-N 3.32Å |
| 122 | C | 98.8 | Very high | 98.7 | Very high | 67 Ų | 67 | 99.2 Ų | 99.2 | 45% | 0.453 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.4 | -47.6 | 177.3 | -69.8 | 0 | 0 | 0 | 0 | 111.5 | A118 Q119 L124 L125 E126 | A118-C122 PolarHBondContact O-N 2.74Å; A118-C122 PolarHBondContact O-SG 2.9Å; Q119-C122 PolarHBondContact O-N 2.86Å; C122-L124 VanDerWaalsContact C-N 3.27Å; C122-L124 PolarHBondContact O-N 3.31Å; C122-L125 PolarHBondContact O-N 2.85Å; C122-L125 VanDerWaalsContact O-N 3.11Å; C122-E126 WeakPolarHBondContact O-CG 3.35Å; C122-E126 PolarHBondContact O-N 2.98Å |
| 123 | I | 98.7 | Very high | 98.7 | Very high | 85 Ų | 85 | 100.9 Ų | 100.9 | 44% | 0.436 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.9 | -41 | 177.7 | -67.7 | 164.5 | 0 | 0 | 0 | 111.3 | Q119 E126 K127 | Q119-I123 WeakPolarHBondContact O-CG1 3.47Å; Q119-I123 PolarHBondContact O-N 3.04Å; I123-E126 PolarHBondContact O-N 3.3Å; I123-K127 HydrophobicContact CG2-CD 4.48Å; I123-K127 WeakPolarHBondContact O-CG 3.35Å; I123-K127 PolarHBondContact O-N 3.29Å; I123-K127 VanDerWaalsContact O-N 3.08Å |
| 124 | L | 98.8 | Very high | 98.7 | Very high | 99 Ų | 99 | 102.4 Ų | 102.4 | 52% | 0.518 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 177 | 179.4 | 62.5 | 0 | 0 | 0 | 111.7 | S120 R121 C122 E126 K127 Q128 | S120-L124 PolarHBondContact O-N 3.13Å; S120-L124 VanDerWaalsContact O-N 3.13Å; R121-L124 PolarHBondContact O-N 2.96Å; C122-L124 VanDerWaalsContact C-N 3.27Å; C122-L124 PolarHBondContact O-N 3.31Å; L124-E126 VanDerWaalsContact C-N 3.34Å; L124-K127 PolarHBondContact O-N 2.98Å; L124-Q128 WeakPolarHBondContact O-CG 3.48Å; L124-Q128 PolarHBondContact O-N 3.13Å |
| 125 | L | 98.8 | Very high | 98.7 | Very high | 84 Ų | 84 | 100.1 Ų | 100.1 | 44% | 0.44 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.1 | -38.4 | 178.5 | -70.9 | 172 | 0 | 0 | 0 | 111.8 | R121 C122 Q128 L129 | R121-L125 HydrophobicContact CG-CD1 4.18Å; R121-L125 WeakPolarHBondContact O-CG 3.33Å; R121-L125 PolarHBondContact O-N 3.32Å; C122-L125 PolarHBondContact O-N 2.85Å; C122-L125 VanDerWaalsContact O-N 3.11Å; L125-Q128 PolarHBondContact O-N 2.9Å; L125-L129 WeakPolarHBondContact O-CB 3.48Å; L125-L129 PolarHBondContact O-N 3.11Å |
| 126 | E | 98.7 | Very high | 98.7 | Very high | 127 Ų | 127 | 98.5 Ų | 98.5 | 59% | 0.593 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.3 | -44.8 | 173.7 | -74.2 | 170.4 | 179.9 | 0 | 0 | 111.5 | C122 I123 L124 L129 E130 | C122-E126 WeakPolarHBondContact O-CG 3.35Å; C122-E126 PolarHBondContact O-N 2.98Å; I123-E126 PolarHBondContact O-N 3.3Å; L124-E126 VanDerWaalsContact C-N 3.34Å; E126-L129 PolarHBondContact O-N 3.35Å; E126-E130 WeakPolarHBondContact O-CB 3.3Å; E126-E130 PolarHBondContact O-N 2.92Å |
| 127 | K | 98.8 | Very high | 98.8 | Very high | 143 Ų | 143 | 99.7 Ų | 99.7 | 62% | 0.622 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63 | -42.5 | 175.7 | -73 | 177.4 | -179.1 | -178.5 | 0 | 112.3 | I123 L124 E130 Y131 | I123-K127 HydrophobicContact CG2-CD 4.48Å; I123-K127 WeakPolarHBondContact O-CG 3.35Å; I123-K127 PolarHBondContact O-N 3.29Å; I123-K127 VanDerWaalsContact O-N 3.08Å; L124-K127 PolarHBondContact O-N 2.98Å; K127-E130 PolarHBondContact O-N 3.3Å; K127-Y131 WeakPolarHBondContact O-CB 3.38Å; K127-Y131 PolarHBondContact O-N 2.88Å |
| 128 | Q | 98.8 | Very high | 98.7 | Very high | 107 Ų | 107 | 99.6 Ų | 99.6 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 176.3 | -74.9 | -176.9 | -12.3 | 0 | 0 | 111.4 | L124 L125 E130 Y131 T132 | L124-Q128 WeakPolarHBondContact O-CG 3.48Å; L124-Q128 PolarHBondContact O-N 3.13Å; L125-Q128 PolarHBondContact O-N 2.9Å; Q128-E130 PolarHBondContact O-N 3.35Å; Q128-Y131 PolarHBondContact O-N 2.92Å; Q128-T132 PolarHBondContact O-N 3.48Å; Q128-T132 PolarHBondContact O-OG1 3.3Å; Q128-T132 VanDerWaalsContact O-OG1 3.13Å |
| 129 | L | 98.8 | Very high | 98.7 | Very high | 98 Ų | 98 | 101.3 Ų | 101.3 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 177.9 | -179.5 | 62.6 | 0 | 0 | 0 | 111.5 | L125 E126 T132 K133 | L125-L129 WeakPolarHBondContact O-CB 3.48Å; L125-L129 PolarHBondContact O-N 3.11Å; E126-L129 PolarHBondContact O-N 3.35Å; L129-T132 PolarHBondContact O-N 3.08Å; L129-K133 HydrophobicContact CG-CD 4.35Å; L129-K133 WeakPolarHBondContact O-CB 3.4Å; L129-K133 VanDerWaalsContact O-CG 3.3Å; L129-K133 WeakPolarHBondContact O-CG 3.31Å; L129-K133 PolarHBondContact O-N 3.5Å |
| 130 | E | 98.8 | Very high | 98.7 | Very high | 90 Ų | 90 | 101.2 Ų | 101.2 | 42% | 0.421 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 177 | 179.3 | 52.6 | -148.1 | 0 | 0 | 111.9 | E126 K127 Q128 K133 R134 | E126-E130 WeakPolarHBondContact O-CB 3.3Å; E126-E130 PolarHBondContact O-N 2.92Å; K127-E130 PolarHBondContact O-N 3.3Å; Q128-E130 PolarHBondContact O-N 3.35Å; E130-K133 PolarHBondContact O-N 3Å; E130-R134 PolarHBondContact O-N 3.43Å; E130-R134 IonicContact OE1-NH2 3.7Å; E130-R134 PolarHBondContact OE1-NH2 3.48Å |
| 131 | Y | 98.8 | Very high | 98.7 | Very high | 153 Ų | 153 | 104.8 Ų | 104.8 | 60% | 0.6 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.5 | -48.6 | 174.2 | 173.6 | -99 | 0 | 0 | 0 | 111.9 | K127 Q128 K133 R134 M135 | K127-Y131 WeakPolarHBondContact O-CB 3.38Å; K127-Y131 PolarHBondContact O-N 2.88Å; Q128-Y131 PolarHBondContact O-N 2.92Å; Y131-K133 PolarHBondContact O-N 3.5Å; Y131-R134 PolarHBondContact O-N 3.44Å; Y131-M135 HydrophobicContact CE1-SD 4.35Å; Y131-M135 PolarHBondContact O-N 2.91Å |
| 132 | T | 98.8 | Very high | 98.7 | Very high | 65 Ų | 65 | 101.7 Ų | 101.7 | 40% | 0.399 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 179.1 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | Q128 L129 R134 M135 V136 | Q128-T132 PolarHBondContact O-N 3.48Å; Q128-T132 PolarHBondContact O-OG1 3.3Å; Q128-T132 VanDerWaalsContact O-OG1 3.13Å; L129-T132 PolarHBondContact O-N 3.08Å; T132-R134 VanDerWaalsContact C-N 3.31Å; T132-R134 PolarHBondContact O-N 3.17Å; T132-M135 PolarHBondContact O-N 3.25Å; T132-V136 HydrophobicContact CG2-CG2 4.3Å; T132-V136 VanDerWaalsContact O-CG2 3.31Å; T132-V136 WeakPolarHBondContact O-CG2 3.31Å; T132-V136 PolarHBondContact O-N 2.95Å |
| 133 | K | 98.8 | Very high | 98.7 | Very high | 110 Ų | 110 | 105 Ų | 105 | 48% | 0.478 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.1 | -46.4 | 174.3 | -76.9 | 172.8 | 178.3 | 175.7 | 0 | 111.5 | L129 E130 Y131 V136 L137 | L129-K133 HydrophobicContact CG-CD 4.35Å; L129-K133 WeakPolarHBondContact O-CB 3.4Å; L129-K133 VanDerWaalsContact O-CG 3.3Å; L129-K133 WeakPolarHBondContact O-CG 3.31Å; L129-K133 PolarHBondContact O-N 3.5Å; E130-K133 PolarHBondContact O-N 3Å; Y131-K133 PolarHBondContact O-N 3.5Å; K133-V136 PolarHBondContact O-N 3.4Å; K133-L137 WeakPolarHBondContact O-CB 3.45Å; K133-L137 VanDerWaalsContact O-CG 3.31Å; K133-L137 WeakPolarHBondContact O-CG 3.37Å; K133-L137 PolarHBondContact O-N 3.41Å |
| 134 | R | 98.8 | Very high | 98.7 | Very high | 141 Ų | 141 | 104.4 Ų | 104.4 | 53% | 0.532 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 178.4 | -169.2 | 177.2 | -56.3 | 163.3 | 8.1 | 112.4 | E130 Y131 T132 L137 N138 | E130-R134 PolarHBondContact O-N 3.43Å; E130-R134 IonicContact OE1-NH2 3.7Å; E130-R134 PolarHBondContact OE1-NH2 3.48Å; Y131-R134 PolarHBondContact O-N 3.44Å; T132-R134 VanDerWaalsContact C-N 3.31Å; T132-R134 PolarHBondContact O-N 3.17Å; R134-L137 PolarHBondContact O-N 2.99Å; R134-N138 PolarHBondContact O-N 3.43Å |
| 135 | M | 98.7 | Very high | 98.7 | Very high | 90 Ų | 90 | 105.3 Ų | 105.3 | 44% | 0.443 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 177.8 | -174.7 | 179.1 | 68.1 | 0 | 0 | 111.4 | Y131 T132 L137 N138 V139 | Y131-M135 HydrophobicContact CE1-SD 4.35Å; Y131-M135 PolarHBondContact O-N 2.91Å; T132-M135 PolarHBondContact O-N 3.25Å; M135-L137 PolarHBondContact O-N 3.33Å; M135-N138 PolarHBondContact O-N 3.39Å; M135-V139 WeakPolarHBondContact O-CG2 3.36Å; M135-V139 PolarHBondContact O-N 2.88Å |
| 136 | V | 98.8 | Very high | 98.7 | Very high | 65 Ų | 65 | 105.9 Ų | 105.9 | 39% | 0.394 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.7 | -48.4 | 176.9 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | T132 K133 N138 V139 E140 | T132-V136 HydrophobicContact CG2-CG2 4.3Å; T132-V136 VanDerWaalsContact O-CG2 3.31Å; T132-V136 WeakPolarHBondContact O-CG2 3.31Å; T132-V136 PolarHBondContact O-N 2.95Å; K133-V136 PolarHBondContact O-N 3.4Å; V136-N138 VanDerWaalsContact C-N 3.27Å; V136-N138 PolarHBondContact O-N 3.23Å; V136-V139 PolarHBondContact O-N 3.05Å; V136-E140 HydrophobicContact CG1-CG 4.34Å; V136-E140 WeakPolarHBondContact O-CG 3.28Å; V136-E140 PolarHBondContact O-N 3.47Å |
| 137 | L | 98.7 | Very high | 98.7 | Very high | 81 Ų | 81 | 104.2 Ų | 104.2 | 42% | 0.424 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.6 | -36.7 | 177.5 | -74.4 | 169.7 | 0 | 0 | 0 | 112.8 | K133 R134 M135 R141 | K133-L137 WeakPolarHBondContact O-CB 3.45Å; K133-L137 VanDerWaalsContact O-CG 3.31Å; K133-L137 WeakPolarHBondContact O-CG 3.37Å; K133-L137 PolarHBondContact O-N 3.41Å; R134-L137 PolarHBondContact O-N 2.99Å; M135-L137 PolarHBondContact O-N 3.33Å; L137-R141 VanDerWaalsContact O-CG 3.3Å; L137-R141 WeakPolarHBondContact O-CG 3.49Å; L137-R141 PolarHBondContact O-N 3.42Å; L137-R141 VanDerWaalsContact O-N 3.14Å; L137-R141 PolarHBondContact O-NH1 2.99Å |
| 138 | N | 98.6 | Very high | 98.6 | Very high | 77 Ų | 77 | 103.5 Ų | 103.5 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68 | -45.6 | 175.7 | -78.7 | 8.2 | 0 | 0 | 0 | 111.6 | R134 M135 V136 E140 R141 E142 | R134-N138 PolarHBondContact O-N 3.43Å; M135-N138 PolarHBondContact O-N 3.39Å; V136-N138 VanDerWaalsContact C-N 3.27Å; V136-N138 PolarHBondContact O-N 3.23Å; N138-E140 VanDerWaalsContact C-N 3.3Å; N138-E140 PolarHBondContact O-N 3.45Å; N138-R141 PolarHBondContact O-N 3.17Å; N138-R141 PolarHBondContact OD1-NH1 3.04Å; N138-E142 WeakPolarHBondContact O-CG 3.48Å; N138-E142 PolarHBondContact O-N 3.4Å |
| 139 | V | 98.7 | Very high | 98.6 | Very high | 85 Ų | 85 | 104 Ų | 104 | 52% | 0.515 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 177.2 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | M135 V136 E142 K143 | M135-V139 WeakPolarHBondContact O-CG2 3.36Å; M135-V139 PolarHBondContact O-N 2.88Å; V136-V139 PolarHBondContact O-N 3.05Å; V139-E142 PolarHBondContact O-N 2.97Å; V139-K143 VanDerWaalsContact O-CB 3.3Å; V139-K143 WeakPolarHBondContact O-CB 3.3Å; V139-K143 PolarHBondContact O-N 3.43Å |
| 140 | E | 98.6 | Very high | 98.6 | Very high | 106 Ų | 106 | 105.1 Ų | 105.1 | 50% | 0.495 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 176 | -74.1 | 175.5 | 165.8 | 0 | 0 | 112.4 | V136 N138 T144 | V136-E140 HydrophobicContact CG1-CG 4.34Å; V136-E140 WeakPolarHBondContact O-CG 3.28Å; V136-E140 PolarHBondContact O-N 3.47Å; N138-E140 VanDerWaalsContact C-N 3.3Å; N138-E140 PolarHBondContact O-N 3.45Å; E140-T144 PolarHBondContact O-N 2.8Å; E140-T144 PolarHBondContact O-OG1 2.84Å |
| 141 | R | 98.6 | Very high | 98.6 | Very high | 152 Ų | 152 | 103.3 Ų | 103.3 | 57% | 0.574 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.8 | -47.6 | 173.9 | -73.1 | 178.6 | -171.5 | 105.5 | 3.7 | 111.9 | L137 N138 K143 T144 M145 | L137-R141 VanDerWaalsContact O-CG 3.3Å; L137-R141 WeakPolarHBondContact O-CG 3.49Å; L137-R141 PolarHBondContact O-N 3.42Å; L137-R141 VanDerWaalsContact O-N 3.14Å; L137-R141 PolarHBondContact O-NH1 2.99Å; N138-R141 PolarHBondContact O-N 3.17Å; N138-R141 PolarHBondContact OD1-NH1 3.04Å; R141-K143 VanDerWaalsContact C-N 3.34Å; R141-K143 PolarHBondContact O-N 3.22Å; R141-T144 PolarHBondContact O-N 2.95Å; R141-T144 VanDerWaalsContact O-N 3.17Å; R141-M145 PolarHBondContact O-N 2.91Å |
| 142 | E | 98.3 | Very high | 98.6 | Very high | 111 Ų | 111 | 99.6 Ų | 99.6 | 52% | 0.519 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 177.6 | -74 | 175.3 | -166.2 | 0 | 0 | 111.3 | N138 V139 T144 M145 I146 | N138-E142 WeakPolarHBondContact O-CG 3.48Å; N138-E142 PolarHBondContact O-N 3.4Å; V139-E142 PolarHBondContact O-N 2.97Å; E142-T144 VanDerWaalsContact C-N 3.31Å; E142-T144 PolarHBondContact O-N 3.14Å; E142-M145 PolarHBondContact O-N 3.19Å; E142-I146 VanDerWaalsContact O-CG1 3.29Å; E142-I146 WeakPolarHBondContact O-CG1 3.39Å; E142-I146 PolarHBondContact O-N 3.27Å |
| 143 | K | 98.6 | Very high | 98.5 | Very high | 137 Ų | 137 | 101.1 Ų | 101.1 | 60% | 0.596 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -56.8 | -45.6 | 174.4 | 178.8 | -176.2 | 174.8 | -175.6 | 0 | 111.5 | V139 R141 I146 L147 | V139-K143 VanDerWaalsContact O-CB 3.3Å; V139-K143 WeakPolarHBondContact O-CB 3.3Å; V139-K143 PolarHBondContact O-N 3.43Å; R141-K143 VanDerWaalsContact C-N 3.34Å; R141-K143 PolarHBondContact O-N 3.22Å; K143-I146 PolarHBondContact O-N 3Å; K143-L147 HydrophobicContact CG-CD1 4.08Å; K143-L147 WeakPolarHBondContact O-CB 3.3Å; K143-L147 VanDerWaalsContact O-CG 3.28Å; K143-L147 WeakPolarHBondContact O-CG 3.38Å; K143-L147 PolarHBondContact O-N 2.93Å |
| 144 | T | 98.6 | Very high | 98.5 | Very high | 72 Ų | 72 | 100.1 Ų | 100.1 | 44% | 0.442 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | -180 | -56.1 | 0 | 0 | 0 | 0 | 110.7 | E140 R141 E142 I146 L147 E148 | E140-T144 PolarHBondContact O-N 2.8Å; E140-T144 PolarHBondContact O-OG1 2.84Å; R141-T144 PolarHBondContact O-N 2.95Å; R141-T144 VanDerWaalsContact O-N 3.17Å; E142-T144 VanDerWaalsContact C-N 3.31Å; E142-T144 PolarHBondContact O-N 3.14Å; T144-I146 PolarHBondContact O-N 2.92Å; T144-L147 PolarHBondContact O-N 2.98Å; T144-E148 WeakPolarHBondContact O-CG 3.45Å; T144-E148 PolarHBondContact O-N 3.45Å |
| 145 | M | 98.4 | Very high | 98.5 | Very high | 117 Ų | 117 | 100.3 Ų | 100.3 | 58% | 0.576 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.9 | -41.7 | 177.8 | -168.7 | 180 | 69.1 | 0 | 0 | 112.4 | R141 E142 E148 Q149 | R141-M145 PolarHBondContact O-N 2.91Å; E142-M145 PolarHBondContact O-N 3.19Å; M145-E148 PolarHBondContact O-N 3.48Å; M145-Q149 WeakPolarHBondContact O-CB 3.37Å; M145-Q149 PolarHBondContact O-N 3.36Å |
| 146 | I | 98.5 | Very high | 98.5 | Very high | 97 Ų | 97 | 99.9 Ų | 99.9 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 176.2 | -69.4 | 167 | 0 | 0 | 0 | 110.9 | E142 K143 T144 Q149 Q150 | E142-I146 VanDerWaalsContact O-CG1 3.29Å; E142-I146 WeakPolarHBondContact O-CG1 3.39Å; E142-I146 PolarHBondContact O-N 3.27Å; K143-I146 PolarHBondContact O-N 3Å; T144-I146 PolarHBondContact O-N 2.92Å; I146-Q149 PolarHBondContact O-N 3.47Å; I146-Q150 WeakPolarHBondContact O-CB 3.29Å; I146-Q150 PolarHBondContact O-N 3.34Å |
| 147 | L | 98.6 | Very high | 98.4 | Very high | 91 Ų | 91 | 103 Ų | 103 | 48% | 0.476 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 177.9 | -73.2 | 172.3 | 0 | 0 | 0 | 111.8 | K143 T144 Q150 A151 | K143-L147 HydrophobicContact CG-CD1 4.08Å; K143-L147 WeakPolarHBondContact O-CB 3.3Å; K143-L147 VanDerWaalsContact O-CG 3.28Å; K143-L147 WeakPolarHBondContact O-CG 3.38Å; K143-L147 PolarHBondContact O-N 2.93Å; T144-L147 PolarHBondContact O-N 2.98Å; L147-Q150 PolarHBondContact O-N 3.44Å; L147-A151 WeakPolarHBondContact O-CB 3.46Å; L147-A151 PolarHBondContact O-N 3.15Å |
| 148 | E | 98.3 | Very high | 98.4 | Very high | 129 Ų | 129 | 103.1 Ų | 103.1 | 60% | 0.603 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.7 | -44.3 | 174.6 | -74.3 | 175.3 | 177.8 | 0 | 0 | 111.6 | T144 M145 Q150 A151 Q152 | T144-E148 WeakPolarHBondContact O-CG 3.45Å; T144-E148 PolarHBondContact O-N 3.45Å; M145-E148 PolarHBondContact O-N 3.48Å; E148-Q150 VanDerWaalsContact C-N 3.34Å; E148-Q150 PolarHBondContact O-N 2.91Å; E148-A151 PolarHBondContact O-N 3.44Å; E148-Q152 PolarHBondContact O-N 2.93Å |
| 149 | Q | 98.5 | Very high | 98.4 | Very high | 118 Ų | 118 | 104.6 Ų | 104.6 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.7 | -41.8 | 176.1 | -171 | 175.3 | 17.7 | 0 | 0 | 111.5 | M145 I146 Q152 L153 | M145-Q149 WeakPolarHBondContact O-CB 3.37Å; M145-Q149 PolarHBondContact O-N 3.36Å; I146-Q149 PolarHBondContact O-N 3.47Å; Q149-Q152 PolarHBondContact O-N 2.85Å; Q149-L153 HydrophobicContact CG-CD1 4.33Å; Q149-L153 WeakPolarHBondContact O-CG 3.43Å; Q149-L153 PolarHBondContact O-N 3.24Å |
| 150 | Q | 98.3 | Very high | 98.4 | Very high | 121 Ų | 121 | 104.7 Ų | 104.7 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.3 | -41.5 | 175.9 | -171.8 | 176.7 | 7 | 0 | 0 | 111.5 | I146 L147 E148 L153 Q154 | I146-Q150 WeakPolarHBondContact O-CB 3.29Å; I146-Q150 PolarHBondContact O-N 3.34Å; L147-Q150 PolarHBondContact O-N 3.44Å; E148-Q150 VanDerWaalsContact C-N 3.34Å; E148-Q150 PolarHBondContact O-N 2.91Å; Q150-L153 PolarHBondContact O-N 3.29Å; Q150-Q154 WeakPolarHBondContact O-CB 3.36Å; Q150-Q154 PolarHBondContact O-N 3.19Å |
| 151 | A | 98.3 | Very high | 98.4 | Very high | 51 Ų | 51 | 105.6 Ų | 105.6 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.7 | -35.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L147 E148 R155 | L147-A151 WeakPolarHBondContact O-CB 3.46Å; L147-A151 PolarHBondContact O-N 3.15Å; E148-A151 PolarHBondContact O-N 3.44Å; A151-R155 WeakPolarHBondContact O-CG 3.36Å; A151-R155 PolarHBondContact O-N 3.39Å; A151-R155 PolarHBondContact O-NE 2.91Å |
| 152 | Q | 98.4 | Very high | 98.3 | Very high | 75 Ų | 75 | 104.9 Ų | 104.9 | 35% | 0.35 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.6 | -49.5 | 174 | 179.7 | 63.7 | 28.8 | 0 | 0 | 111.3 | E148 Q149 Q154 R155 E156 | E148-Q152 PolarHBondContact O-N 2.93Å; Q149-Q152 PolarHBondContact O-N 2.85Å; Q152-Q154 VanDerWaalsContact C-N 3.28Å; Q152-Q154 PolarHBondContact O-N 3.44Å; Q152-R155 PolarHBondContact O-N 2.92Å; Q152-R155 VanDerWaalsContact O-N 3.15Å; Q152-E156 PolarHBondContact NE2-OE1 3.45Å; Q152-E156 PolarHBondContact O-N 3.38Å |
| 153 | L | 98.4 | Very high | 98.3 | Very high | 98 Ų | 98 | 104.1 Ų | 104.1 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.7 | -37.7 | 178.1 | -73.1 | 171 | 0 | 0 | 0 | 112.3 | Q149 Q150 E156 K157 | Q149-L153 HydrophobicContact CG-CD1 4.33Å; Q149-L153 WeakPolarHBondContact O-CG 3.43Å; Q149-L153 PolarHBondContact O-N 3.24Å; Q150-L153 PolarHBondContact O-N 3.29Å; L153-E156 PolarHBondContact O-N 2.97Å; L153-K157 WeakPolarHBondContact O-CB 3.38Å; L153-K157 PolarHBondContact O-N 3.35Å |
| 154 | Q | 98.2 | Very high | 98.3 | Very high | 88 Ų | 88 | 102.5 Ų | 102.5 | 41% | 0.411 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 176.1 | -178.1 | 59.8 | 26.1 | 0 | 0 | 111.7 | Q150 Q152 K157 E158 | Q150-Q154 WeakPolarHBondContact O-CB 3.36Å; Q150-Q154 PolarHBondContact O-N 3.19Å; Q152-Q154 VanDerWaalsContact C-N 3.28Å; Q152-Q154 PolarHBondContact O-N 3.44Å; Q154-K157 PolarHBondContact O-N 3.41Å; Q154-E158 PolarHBondContact NE2-OE1 3.4Å; Q154-E158 WeakPolarHBondContact O-CG 3.37Å; Q154-E158 PolarHBondContact O-N 2.94Å |
| 155 | R | 98.3 | Very high | 98.3 | Very high | 145 Ų | 145 | 104.6 Ų | 104.6 | 55% | 0.547 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 175.1 | -77.5 | -175.3 | -73.2 | 139.2 | -4 | 112.4 | A151 Q152 E158 Q159 | A151-R155 WeakPolarHBondContact O-CG 3.36Å; A151-R155 PolarHBondContact O-N 3.39Å; A151-R155 PolarHBondContact O-NE 2.91Å; Q152-R155 PolarHBondContact O-N 2.92Å; Q152-R155 VanDerWaalsContact O-N 3.15Å; R155-E158 PolarHBondContact O-N 3.3Å; R155-Q159 WeakPolarHBondContact O-CB 3.37Å; R155-Q159 PolarHBondContact O-N 2.93Å |
| 156 | E | 98.2 | Very high | 98.3 | Very high | 82 Ų | 82 | 101.8 Ų | 101.8 | 38% | 0.383 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 175.9 | -73.8 | 172 | -169.7 | 0 | 0 | 111.3 | Q152 L153 E158 Q159 D160 | Q152-E156 PolarHBondContact NE2-OE1 3.45Å; Q152-E156 PolarHBondContact O-N 3.38Å; L153-E156 PolarHBondContact O-N 2.97Å; E156-E158 PolarHBondContact O-N 3.49Å; E156-Q159 WeakPolarHBondContact O-CB 3.35Å; E156-Q159 PolarHBondContact O-N 2.89Å; E156-D160 PolarHBondContact O-N 2.93Å |
| 157 | K | 98.3 | Very high | 98.3 | Very high | 131 Ų | 131 | 104.1 Ų | 104.1 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.2 | -46.3 | 175.4 | -178.7 | -175.2 | 174.9 | -174.5 | 0 | 112.1 | L153 Q154 Q159 D160 Q161 | L153-K157 WeakPolarHBondContact O-CB 3.38Å; L153-K157 PolarHBondContact O-N 3.35Å; Q154-K157 PolarHBondContact O-N 3.41Å; K157-Q159 VanDerWaalsContact C-N 3.35Å; K157-D160 PolarHBondContact O-N 2.95Å; K157-Q161 WeakPolarHBondContact O-CB 3.49Å; K157-Q161 PolarHBondContact O-N 3.3Å |
| 158 | E | 98.1 | Very high | 98.3 | Very high | 82 Ų | 82 | 104.2 Ų | 104.2 | 38% | 0.383 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 177.1 | -74.9 | 167.1 | -168.5 | 0 | 0 | 111.4 | Q154 R155 E156 D160 Q161 M162 | Q154-E158 PolarHBondContact NE2-OE1 3.4Å; Q154-E158 WeakPolarHBondContact O-CG 3.37Å; Q154-E158 PolarHBondContact O-N 2.94Å; R155-E158 PolarHBondContact O-N 3.3Å; E156-E158 PolarHBondContact O-N 3.49Å; E158-D160 PolarHBondContact O-N 3.22Å; E158-Q161 PolarHBondContact O-N 3.26Å; E158-M162 WeakPolarHBondContact O-CG 3.42Å; E158-M162 PolarHBondContact O-N 3.19Å |
| 159 | Q | 98.3 | Very high | 98.3 | Very high | 108 Ų | 108 | 103.4 Ų | 103.4 | 51% | 0.505 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 177.1 | -168.9 | -170.9 | 39.5 | 0 | 0 | 111.7 | R155 E156 K157 Q161 M162 K163 | R155-Q159 WeakPolarHBondContact O-CB 3.37Å; R155-Q159 PolarHBondContact O-N 2.93Å; E156-Q159 WeakPolarHBondContact O-CB 3.35Å; E156-Q159 PolarHBondContact O-N 2.89Å; K157-Q159 VanDerWaalsContact C-N 3.35Å; Q159-Q161 VanDerWaalsContact C-N 3.34Å; Q159-M162 PolarHBondContact O-N 3.49Å; Q159-K163 WeakPolarHBondContact O-CG 3.44Å; Q159-K163 PolarHBondContact O-N 3.33Å |
| 160 | D | 98.1 | Very high | 98.3 | Very high | 87 Ų | 87 | 104.7 Ų | 104.7 | 47% | 0.465 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69 | -34.9 | 179.1 | -75.1 | -14.5 | 0 | 0 | 0 | 112 | E156 K157 E158 K163 L164 | E156-D160 PolarHBondContact O-N 2.93Å; K157-D160 PolarHBondContact O-N 2.95Å; E158-D160 PolarHBondContact O-N 3.22Å; D160-K163 PolarHBondContact O-N 2.97Å; D160-K163 IonicContact OD1-NZ 3.98Å; D160-K163 PolarHBondContact OD1-NZ 2.88Å; D160-L164 WeakPolarHBondContact O-CB 3.5Å; D160-L164 PolarHBondContact O-N 2.83Å |
| 161 | Q | 98.4 | Very high | 98.3 | Very high | 126 Ų | 126 | 103.4 Ų | 103.4 | 59% | 0.589 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.5 | -43.1 | 171.4 | -171.9 | 175 | -4.9 | 0 | 0 | 111.6 | K157 E158 Q159 L164 H165 | K157-Q161 WeakPolarHBondContact O-CB 3.49Å; K157-Q161 PolarHBondContact O-N 3.3Å; E158-Q161 PolarHBondContact O-N 3.26Å; Q159-Q161 VanDerWaalsContact C-N 3.34Å; Q161-L164 PolarHBondContact O-N 2.95Å; Q161-H165 PolarHBondContact O-N 3.01Å |
| 162 | M | 97.9 | Very high | 98.3 | Very high | 136 Ų | 136 | 106.9 Ų | 106.9 | 67% | 0.67 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.7 | -45.2 | 174.4 | -70.2 | 178.9 | -169.7 | 0 | 0 | 111.8 | E158 Q159 L164 H165 A166 | E158-M162 WeakPolarHBondContact O-CG 3.42Å; E158-M162 PolarHBondContact O-N 3.19Å; Q159-M162 PolarHBondContact O-N 3.49Å; M162-L164 VanDerWaalsContact C-N 3.32Å; M162-L164 PolarHBondContact O-N 2.94Å; M162-H165 PolarHBondContact O-N 3.08Å; M162-A166 PolarHBondContact O-N 2.97Å |
| 163 | K | 98.3 | Very high | 98.3 | Very high | 96 Ų | 96 | 108 Ų | 108 | 42% | 0.417 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 176.3 | -70.6 | 171.5 | -165.7 | 149.1 | 0 | 111.8 | Q159 D160 K167 | Q159-K163 WeakPolarHBondContact O-CG 3.44Å; Q159-K163 PolarHBondContact O-N 3.33Å; D160-K163 PolarHBondContact O-N 2.97Å; D160-K163 IonicContact OD1-NZ 3.98Å; D160-K163 PolarHBondContact OD1-NZ 2.88Å; K163-K167 WeakPolarHBondContact O-CG 3.48Å; K163-K167 PolarHBondContact O-N 3.33Å; K163-K167 VanDerWaalsContact O-N 3.08Å |
| 164 | L | 98.4 | Very high | 98.4 | Very high | 103 Ų | 103 | 107.6 Ų | 107.6 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 176.9 | 178.6 | 62.7 | 0 | 0 | 0 | 110.8 | D160 Q161 M162 A166 K167 L168 | D160-L164 WeakPolarHBondContact O-CB 3.5Å; D160-L164 PolarHBondContact O-N 2.83Å; Q161-L164 PolarHBondContact O-N 2.95Å; M162-L164 VanDerWaalsContact C-N 3.32Å; M162-L164 PolarHBondContact O-N 2.94Å; L164-A166 PolarHBondContact O-N 3.35Å; L164-K167 WeakPolarHBondContact O-CB 3.39Å; L164-K167 PolarHBondContact O-N 2.94Å; L164-L168 HydrophobicContact CD1-CG 4.48Å; L164-L168 HydrophobicContact CG-CD1 4.21Å; L164-L168 WeakPolarHBondContact O-CG 3.39Å; L164-L168 PolarHBondContact O-N 3.32Å |
| 165 | H | 98.4 | Very high | 98.4 | Very high | 116 Ų | 116 | 109 Ų | 109 | 54% | 0.537 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 179 | -161.4 | 47.8 | 0 | 0 | 0 | 111.9 | Q161 M162 K167 L168 E169 | Q161-H165 PolarHBondContact O-N 3.01Å; M162-H165 PolarHBondContact O-N 3.08Å; H165-K167 VanDerWaalsContact C-N 3.3Å; H165-K167 PolarHBondContact O-N 3.43Å; H165-L168 WeakPolarHBondContact O-CB 3.37Å; H165-L168 PolarHBondContact O-N 2.87Å; H165-L168 VanDerWaalsContact O-N 3.11Å; H165-E169 IonicContact CD2-OE1 2.66Å; H165-E169 IonicContact NE2-OE1 3.23Å; H165-E169 PolarHBondContact O-N 3.1Å |
| 166 | A | 98.4 | Very high | 98.4 | Very high | 57 Ų | 57 | 109.3 Ų | 109.3 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.2 | -37.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | M162 L164 K170 | M162-A166 PolarHBondContact O-N 2.97Å; L164-A166 PolarHBondContact O-N 3.35Å; A166-K170 PolarHBondContact O-N 3.27Å; A166-K170 VanDerWaalsContact O-N 3.09Å |
| 167 | K | 98.4 | Very high | 98.4 | Very high | 146 Ų | 146 | 108.1 Ų | 108.1 | 64% | 0.635 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.6 | -41 | 174.4 | -74.9 | 178.1 | -179.2 | -178.2 | 0 | 112 | K163 L164 H165 K170 L171 | K163-K167 WeakPolarHBondContact O-CG 3.48Å; K163-K167 PolarHBondContact O-N 3.33Å; K163-K167 VanDerWaalsContact O-N 3.08Å; L164-K167 WeakPolarHBondContact O-CB 3.39Å; L164-K167 PolarHBondContact O-N 2.94Å; H165-K167 VanDerWaalsContact C-N 3.3Å; H165-K167 PolarHBondContact O-N 3.43Å; K167-K170 PolarHBondContact O-N 2.91Å; K167-L171 WeakPolarHBondContact O-CG 3.38Å; K167-L171 PolarHBondContact O-N 3.09Å |
| 168 | L | 98.6 | Very high | 98.4 | Very high | 94 Ų | 94 | 105.6 Ų | 105.6 | 49% | 0.492 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 176.9 | -73.3 | 170.4 | 0 | 0 | 0 | 111.7 | L164 H165 K170 L171 H172 | L164-L168 HydrophobicContact CD1-CG 4.48Å; L164-L168 HydrophobicContact CG-CD1 4.21Å; L164-L168 WeakPolarHBondContact O-CG 3.39Å; L164-L168 PolarHBondContact O-N 3.32Å; H165-L168 WeakPolarHBondContact O-CB 3.37Å; H165-L168 PolarHBondContact O-N 2.87Å; H165-L168 VanDerWaalsContact O-N 3.11Å; L168-K170 VanDerWaalsContact C-N 3.33Å; L168-K170 PolarHBondContact O-N 3.48Å; L168-L171 PolarHBondContact O-N 3.39Å; L168-H172 PolarHBondContact O-N 3.11Å |
| 169 | E | 98.4 | Very high | 98.4 | Very high | 111 Ų | 111 | 107.8 Ų | 107.8 | 52% | 0.519 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 174 | -72.1 | 178.4 | 175.5 | 0 | 0 | 111.6 | H165 L171 H172 V173 | H165-E169 IonicContact CD2-OE1 2.66Å; H165-E169 IonicContact NE2-OE1 3.23Å; H165-E169 PolarHBondContact O-N 3.1Å; E169-L171 PolarHBondContact O-N 3.45Å; E169-H172 PolarHBondContact O-N 3.05Å; E169-V173 WeakPolarHBondContact O-CG2 3.43Å; E169-V173 PolarHBondContact O-N 3.05Å |
| 170 | K | 98.6 | Very high | 98.4 | Very high | 146 Ų | 146 | 110 Ų | 110 | 64% | 0.635 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.5 | -42.7 | 176.3 | -174.7 | 176.6 | -179.8 | 178.2 | 0 | 112 | A166 K167 L168 V173 L174 | A166-K170 PolarHBondContact O-N 3.27Å; A166-K170 VanDerWaalsContact O-N 3.09Å; K167-K170 PolarHBondContact O-N 2.91Å; L168-K170 VanDerWaalsContact C-N 3.33Å; L168-K170 PolarHBondContact O-N 3.48Å; K170-V173 PolarHBondContact O-N 3.07Å; K170-L174 HydrophobicContact CG-CD1 4.35Å; K170-L174 WeakPolarHBondContact O-CG 3.42Å; K170-L174 PolarHBondContact O-N 2.84Å; K170-L174 VanDerWaalsContact O-N 3.07Å |
| 171 | L | 98.6 | Very high | 98.4 | Very high | 94 Ų | 94 | 110.6 Ų | 110.6 | 49% | 0.492 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 175.8 | -77.8 | 172 | 0 | 0 | 0 | 111.2 | K167 L168 E169 V173 L174 E175 | K167-L171 WeakPolarHBondContact O-CG 3.38Å; K167-L171 PolarHBondContact O-N 3.09Å; L168-L171 PolarHBondContact O-N 3.39Å; E169-L171 PolarHBondContact O-N 3.45Å; L171-V173 VanDerWaalsContact C-N 3.31Å; L171-V173 PolarHBondContact O-N 3.35Å; L171-L174 PolarHBondContact O-N 3.24Å; L171-L174 VanDerWaalsContact O-N 3.09Å; L171-E175 WeakPolarHBondContact O-CG 3.44Å; L171-E175 PolarHBondContact O-N 3.45Å |
| 172 | H | 98.5 | Very high | 98.4 | Very high | 123 Ų | 123 | 108.6 Ų | 108.6 | 57% | 0.569 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.1 | -41.7 | 178.3 | -175.6 | 63.3 | 0 | 0 | 0 | 112.5 | L168 E169 E175 K176 | L168-H172 PolarHBondContact O-N 3.11Å; E169-H172 PolarHBondContact O-N 3.05Å; H172-E175 PolarHBondContact O-N 3.4Å; H172-K176 PolarHBondContact O-N 3.36Å; H172-K176 VanDerWaalsContact O-N 3.1Å |
| 173 | V | 98.5 | Very high | 98.5 | Very high | 98 Ų | 98 | 104.9 Ų | 104.9 | 59% | 0.594 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.9 | -44 | 174.7 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | E169 K170 L171 K176 E177 | E169-V173 WeakPolarHBondContact O-CG2 3.43Å; E169-V173 PolarHBondContact O-N 3.05Å; K170-V173 PolarHBondContact O-N 3.07Å; L171-V173 VanDerWaalsContact C-N 3.31Å; L171-V173 PolarHBondContact O-N 3.35Å; V173-K176 PolarHBondContact O-N 3.09Å; V173-E177 PolarHBondContact O-N 3.46Å |
| 174 | L | 98.5 | Very high | 98.5 | Very high | 90 Ų | 90 | 104.4 Ų | 104.4 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 178.2 | -71.3 | 172.2 | 0 | 0 | 0 | 112.3 | K170 L171 K176 E177 C178 | K170-L174 HydrophobicContact CG-CD1 4.35Å; K170-L174 WeakPolarHBondContact O-CG 3.42Å; K170-L174 PolarHBondContact O-N 2.84Å; K170-L174 VanDerWaalsContact O-N 3.07Å; L171-L174 PolarHBondContact O-N 3.24Å; L171-L174 VanDerWaalsContact O-N 3.09Å; L174-K176 VanDerWaalsContact C-N 3.35Å; L174-K176 PolarHBondContact O-N 3.46Å; L174-E177 WeakPolarHBondContact O-CB 3.43Å; L174-E177 PolarHBondContact O-N 3.17Å; L174-C178 PolarHBondContact O-N 3.06Å; L174-C178 PolarHBondContact O-SG 2.89Å; L174-C178 VanDerWaalsContact O-SG 3.39Å |
| 175 | E | 98.4 | Very high | 98.5 | Very high | 117 Ų | 117 | 106.9 Ų | 106.9 | 55% | 0.547 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60 | -45.1 | 175.3 | -75.1 | 173.2 | 173.9 | 0 | 0 | 111.5 | L171 H172 E177 C178 L179 | L171-E175 WeakPolarHBondContact O-CG 3.44Å; L171-E175 PolarHBondContact O-N 3.45Å; H172-E175 PolarHBondContact O-N 3.4Å; E175-E177 VanDerWaalsContact C-N 3.28Å; E175-E177 PolarHBondContact O-N 2.94Å; E175-C178 PolarHBondContact O-N 3.39Å; E175-L179 WeakPolarHBondContact O-CG 3.4Å; E175-L179 PolarHBondContact O-N 3.39Å |
| 176 | K | 98.4 | Very high | 98.5 | Very high | 152 Ų | 152 | 105.6 Ų | 105.6 | 66% | 0.661 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.4 | -39.6 | 175.4 | -173.1 | 178 | -179.2 | 178.3 | 0 | 111.8 | H172 V173 L174 R180 | H172-K176 PolarHBondContact O-N 3.36Å; H172-K176 VanDerWaalsContact O-N 3.1Å; V173-K176 PolarHBondContact O-N 3.09Å; L174-K176 VanDerWaalsContact C-N 3.35Å; L174-K176 PolarHBondContact O-N 3.46Å; K176-R180 PolarHBondContact O-N 2.66Å; K176-R180 VanDerWaalsContact O-N 3.11Å |
| 177 | E | 98.3 | Very high | 98.5 | Very high | 58 Ų | 58 | 107.4 Ų | 107.4 | 27% | 0.271 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.6 | -45 | 177.2 | -172.5 | 56.3 | -148.7 | 0 | 0 | 112.1 | V173 L174 E175 L179 R180 L181 | V173-E177 PolarHBondContact O-N 3.46Å; L174-E177 WeakPolarHBondContact O-CB 3.43Å; L174-E177 PolarHBondContact O-N 3.17Å; E175-E177 VanDerWaalsContact C-N 3.28Å; E175-E177 PolarHBondContact O-N 2.94Å; E177-L179 VanDerWaalsContact C-N 3.32Å; E177-L179 PolarHBondContact O-N 3.07Å; E177-R180 VanDerWaalsContact CD-CZ 3.48Å; E177-R180 WeakPolarHBondContact O-CB 3.46Å; E177-R180 PolarHBondContact O-N 2.88Å; E177-R180 VanDerWaalsContact O-N 3.17Å; E177-R180 IonicContact OE1-CZ 2.7Å; E177-R180 VanDerWaalsContact OE1-CZ 3.23Å; E177-R180 IonicContact OE1-NE 3.63Å; E177-R180 PolarHBondContact OE1-NE 2.88Å; E177-R180 VanDerWaalsContact OE1-NE 3.12Å; E177-R180 IonicContact OE1-NH2 3.32Å; E177-R180 PolarHBondContact OE1-NH2 2.99Å; E177-R180 IonicContact OE2-CZ 3.95Å; E177-R180 IonicContact OE2-NE 3.33Å; E177-R180 PolarHBondContact OE2-NE 3.1Å; E177-R180 VanDerWaalsContact OE2-NE 3.07Å; E177-R180 IonicContact OE2-NH1 3.25Å; E177-R180 IonicContact OE2-NH2 3.07Å; E177-R180 PolarHBondContact OE2-NH2 3.39Å; E177-L181 HydrophobicContact CG-CD1 4.08Å; E177-L181 HydrophobicContact CG-CG 4.39Å; E177-L181 WeakPolarHBondContact O-CG 3.47Å; E177-L181 PolarHBondContact O-N 3.11Å |
| 178 | C | 98.4 | Very high | 98.5 | Very high | 78 Ų | 78 | 102.8 Ų | 102.8 | 53% | 0.527 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -56.4 | -46 | 175.7 | -74.6 | 0 | 0 | 0 | 0 | 111.4 | L174 E175 R180 L181 T182 | L174-C178 PolarHBondContact O-N 3.06Å; L174-C178 PolarHBondContact O-SG 2.89Å; L174-C178 VanDerWaalsContact O-SG 3.39Å; E175-C178 PolarHBondContact O-N 3.39Å; C178-R180 PolarHBondContact O-N 3.19Å; C178-L181 PolarHBondContact O-N 3.3Å; C178-T182 WeakPolarHBondContact O-CB 3.34Å; C178-T182 PolarHBondContact O-N 3.42Å; C178-T182 PolarHBondContact O-OG1 3.29Å; C178-T182 VanDerWaalsContact O-OG1 3.07Å |
| 179 | L | 98.5 | Very high | 98.5 | Very high | 128 Ų | 128 | 101.8 Ų | 101.8 | 67% | 0.67 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.9 | -43.6 | 177 | -69.1 | 173.6 | 0 | 0 | 0 | 112.1 | E175 E177 T182 A183 | E175-L179 WeakPolarHBondContact O-CG 3.4Å; E175-L179 PolarHBondContact O-N 3.39Å; E177-L179 VanDerWaalsContact C-N 3.32Å; E177-L179 PolarHBondContact O-N 3.07Å; L179-T182 PolarHBondContact O-N 3.12Å; L179-A183 PolarHBondContact O-N 2.75Å |
| 180 | R | 98.6 | Very high | 98.5 | Very high | 155 Ų | 155 | 100.8 Ų | 100.8 | 59% | 0.585 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.1 | -46 | 177.4 | -176.4 | 178.3 | 74.5 | 170.3 | 8.8 | 111.8 | K176 E177 C178 A183 T184 | K176-R180 PolarHBondContact O-N 2.66Å; K176-R180 VanDerWaalsContact O-N 3.11Å; E177-R180 VanDerWaalsContact CD-CZ 3.48Å; E177-R180 WeakPolarHBondContact O-CB 3.46Å; E177-R180 PolarHBondContact O-N 2.88Å; E177-R180 VanDerWaalsContact O-N 3.17Å; E177-R180 IonicContact OE1-CZ 2.7Å; E177-R180 VanDerWaalsContact OE1-CZ 3.23Å; E177-R180 IonicContact OE1-NE 3.63Å; E177-R180 PolarHBondContact OE1-NE 2.88Å; E177-R180 VanDerWaalsContact OE1-NE 3.12Å; E177-R180 IonicContact OE1-NH2 3.32Å; E177-R180 PolarHBondContact OE1-NH2 2.99Å; E177-R180 IonicContact OE2-CZ 3.95Å; E177-R180 IonicContact OE2-NE 3.33Å; E177-R180 PolarHBondContact OE2-NE 3.1Å; E177-R180 VanDerWaalsContact OE2-NE 3.07Å; E177-R180 IonicContact OE2-NH1 3.25Å; E177-R180 IonicContact OE2-NH2 3.07Å; E177-R180 PolarHBondContact OE2-NH2 3.39Å; C178-R180 PolarHBondContact O-N 3.19Å; R180-A183 PolarHBondContact O-N 2.8Å; R180-T184 PolarHBondContact O-N 3.41Å; R180-T184 PolarHBondContact O-OG1 2.92Å |
| 181 | L | 98.6 | Very high | 98.5 | Very high | 98 Ų | 98 | 100.8 Ų | 100.8 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 177.8 | -71.2 | 175.2 | 0 | 0 | 0 | 111.4 | E177 C178 T184 R185 | E177-L181 HydrophobicContact CG-CD1 4.08Å; E177-L181 HydrophobicContact CG-CG 4.39Å; E177-L181 WeakPolarHBondContact O-CG 3.47Å; E177-L181 PolarHBondContact O-N 3.11Å; C178-L181 PolarHBondContact O-N 3.3Å; L181-T184 PolarHBondContact O-N 3.02Å; L181-R185 WeakPolarHBondContact O-CB 3.44Å; L181-R185 PolarHBondContact O-N 3.41Å |
| 182 | T | 98.5 | Very high | 98.5 | Very high | 84 Ų | 84 | 100.7 Ų | 100.7 | 52% | 0.515 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 175 | -65.9 | 0 | 0 | 0 | 0 | 112 | C178 L179 T184 R185 Q186 | C178-T182 WeakPolarHBondContact O-CB 3.34Å; C178-T182 PolarHBondContact O-N 3.42Å; C178-T182 PolarHBondContact O-OG1 3.29Å; C178-T182 VanDerWaalsContact O-OG1 3.07Å; L179-T182 PolarHBondContact O-N 3.12Å; T182-T184 VanDerWaalsContact C-N 3.3Å; T182-T184 PolarHBondContact O-N 3.25Å; T182-R185 PolarHBondContact O-N 3.07Å; T182-Q186 PolarHBondContact O-N 3.34Å |
| 183 | A | 98.5 | Very high | 98.5 | Very high | 58 Ų | 58 | 100.8 Ų | 100.8 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | L179 R180 T187 | L179-A183 PolarHBondContact O-N 2.75Å; R180-A183 PolarHBondContact O-N 2.8Å; A183-T187 PolarHBondContact O-N 3.35Å; A183-T187 VanDerWaalsContact O-N 3.1Å; A183-T187 PolarHBondContact O-OG1 3.07Å |
| 184 | T | 98.5 | Very high | 98.4 | Very high | 86 Ų | 86 | 98.7 Ų | 98.7 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.6 | -43.8 | 177.1 | -55.2 | 0 | 0 | 0 | 0 | 110.9 | R180 L181 T182 T187 A188 | R180-T184 PolarHBondContact O-N 3.41Å; R180-T184 PolarHBondContact O-OG1 2.92Å; L181-T184 PolarHBondContact O-N 3.02Å; T182-T184 VanDerWaalsContact C-N 3.3Å; T182-T184 PolarHBondContact O-N 3.25Å; T184-T187 PolarHBondContact O-N 2.84Å; T184-A188 PolarHBondContact O-N 3.28Å |
| 185 | R | 98.3 | Very high | 98.4 | Very high | 155 Ų | 155 | 99.2 Ų | 99.2 | 59% | 0.585 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.1 | -47.8 | 176.7 | -163.3 | -170 | 96.2 | 179.1 | 7.3 | 111.2 | L181 T182 T187 A188 E189 | L181-R185 WeakPolarHBondContact O-CB 3.44Å; L181-R185 PolarHBondContact O-N 3.41Å; T182-R185 PolarHBondContact O-N 3.07Å; R185-T187 VanDerWaalsContact C-N 3.33Å; R185-T187 PolarHBondContact O-N 2.96Å; R185-A188 WeakPolarHBondContact O-CB 3.32Å; R185-A188 PolarHBondContact O-N 3.11Å; R185-A188 VanDerWaalsContact O-N 3.13Å; R185-E189 IonicContact CZ-OE1 2.87Å; R185-E189 VanDerWaalsContact CZ-OE1 3.25Å; R185-E189 IonicContact NE-OE1 3.07Å; R185-E189 PolarHBondContact NE-OE1 2.88Å; R185-E189 IonicContact NH2-OE1 3.73Å; R185-E189 PolarHBondContact NH2-OE1 3.39Å; R185-E189 VanDerWaalsContact NH2-OE1 3.07Å; R185-E189 IonicContact NH2-OE2 3.69Å; R185-E189 WeakPolarHBondContact O-CG 3.42Å; R185-E189 PolarHBondContact O-N 3.22Å |
| 186 | Q | 98.6 | Very high | 98.4 | Very high | 89 Ų | 89 | 98.6 Ų | 98.6 | 42% | 0.416 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58 | -46.1 | 177.3 | -174.5 | 62.2 | 52.3 | 0 | 0 | 111.5 | T182 A188 E189 D190 | T182-Q186 PolarHBondContact O-N 3.34Å; Q186-A188 VanDerWaalsContact C-N 3.28Å; Q186-A188 PolarHBondContact O-N 3.39Å; Q186-E189 PolarHBondContact O-N 2.86Å; Q186-D190 PolarHBondContact NE2-OD1 3.03Å; Q186-D190 VanDerWaalsContact O-CG 3.26Å; Q186-D190 PolarHBondContact O-N 2.91Å |
| 187 | T | 98.4 | Very high | 98.4 | Very high | 95 Ų | 95 | 96.6 Ų | 96.6 | 58% | 0.583 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.2 | -39.6 | 177.5 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | A183 T184 R185 K191 | A183-T187 PolarHBondContact O-N 3.35Å; A183-T187 VanDerWaalsContact O-N 3.1Å; A183-T187 PolarHBondContact O-OG1 3.07Å; T184-T187 PolarHBondContact O-N 2.84Å; R185-T187 VanDerWaalsContact C-N 3.33Å; R185-T187 PolarHBondContact O-N 2.96Å; T187-K191 WeakPolarHBondContact O-CB 3.41Å; T187-K191 PolarHBondContact O-N 3.13Å; T187-K191 VanDerWaalsContact O-N 3.11Å |
| 188 | A | 98.5 | Very high | 98.4 | Very high | 49 Ų | 49 | 100.1 Ų | 100.1 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.8 | -42.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T184 R185 Q186 K191 I192 | T184-A188 PolarHBondContact O-N 3.28Å; R185-A188 WeakPolarHBondContact O-CB 3.32Å; R185-A188 PolarHBondContact O-N 3.11Å; R185-A188 VanDerWaalsContact O-N 3.13Å; Q186-A188 VanDerWaalsContact C-N 3.28Å; Q186-A188 PolarHBondContact O-N 3.39Å; A188-K191 PolarHBondContact O-N 2.7Å; A188-I192 VanDerWaalsContact O-CG1 3.32Å; A188-I192 WeakPolarHBondContact O-CG1 3.48Å; A188-I192 PolarHBondContact O-N 2.9Å |
| 189 | E | 98.3 | Very high | 98.4 | Very high | 74 Ų | 74 | 101 Ų | 101 | 35% | 0.346 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.8 | -47 | 174.9 | -74 | 173.1 | -171.4 | 0 | 0 | 111.4 | R185 Q186 K191 I192 K193 | R185-E189 IonicContact CZ-OE1 2.87Å; R185-E189 VanDerWaalsContact CZ-OE1 3.25Å; R185-E189 IonicContact NE-OE1 3.07Å; R185-E189 PolarHBondContact NE-OE1 2.88Å; R185-E189 IonicContact NH2-OE1 3.73Å; R185-E189 PolarHBondContact NH2-OE1 3.39Å; R185-E189 VanDerWaalsContact NH2-OE1 3.07Å; R185-E189 IonicContact NH2-OE2 3.69Å; R185-E189 WeakPolarHBondContact O-CG 3.42Å; R185-E189 PolarHBondContact O-N 3.22Å; Q186-E189 PolarHBondContact O-N 2.86Å; E189-K191 VanDerWaalsContact C-N 3.31Å; E189-K191 PolarHBondContact O-N 3.06Å; E189-I192 PolarHBondContact O-N 3.46Å; E189-K193 PolarHBondContact O-N 3.03Å |
| 190 | D | 98.4 | Very high | 98.3 | Very high | 89 Ų | 89 | 101.4 Ų | 101.4 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 177.4 | -66.6 | -23.7 | 0 | 0 | 0 | 111.6 | Q186 K193 C194 | Q186-D190 PolarHBondContact NE2-OD1 3.03Å; Q186-D190 VanDerWaalsContact O-CG 3.26Å; Q186-D190 PolarHBondContact O-N 2.91Å; D190-K193 PolarHBondContact O-N 3.33Å; D190-C194 PolarHBondContact O-N 3.43Å; D190-C194 VanDerWaalsContact O-N 3.07Å |
| 191 | K | 98.6 | Very high | 98.3 | Very high | 147 Ų | 147 | 98.6 Ų | 98.6 | 64% | 0.639 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.4 | -41.1 | 176.8 | -173.4 | 172.1 | -178.3 | 177.8 | 0 | 112.1 | T187 A188 E189 C194 L195 | T187-K191 WeakPolarHBondContact O-CB 3.41Å; T187-K191 PolarHBondContact O-N 3.13Å; T187-K191 VanDerWaalsContact O-N 3.11Å; A188-K191 PolarHBondContact O-N 2.7Å; E189-K191 VanDerWaalsContact C-N 3.31Å; E189-K191 PolarHBondContact O-N 3.06Å; K191-C194 PolarHBondContact O-N 3.07Å; K191-L195 HydrophobicContact CG-CD1 4.37Å; K191-L195 WeakPolarHBondContact O-CG 3.43Å; K191-L195 PolarHBondContact O-N 3.43Å |
| 192 | I | 98.4 | Very high | 98.2 | Very high | 91 Ų | 91 | 98.8 Ų | 98.8 | 47% | 0.467 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.6 | -49 | 175.4 | -72.1 | 165.2 | 0 | 0 | 0 | 109.5 | A188 E189 C194 L195 E196 | A188-I192 VanDerWaalsContact O-CG1 3.32Å; A188-I192 WeakPolarHBondContact O-CG1 3.48Å; A188-I192 PolarHBondContact O-N 2.9Å; E189-I192 PolarHBondContact O-N 3.46Å; I192-C194 VanDerWaalsContact C-N 3.32Å; I192-C194 PolarHBondContact O-N 3.02Å; I192-L195 CarbonylContact O-C 3.59Å; I192-L195 WeakPolarHBondContact O-CA 3.49Å; I192-L195 WeakPolarHBondContact O-CB 3.5Å; I192-L195 PolarHBondContact O-N 2.97Å; I192-E196 HydrophobicContact CG2-CG 4.19Å; I192-E196 WeakPolarHBondContact O-CG 3.39Å; I192-E196 PolarHBondContact O-N 3.47Å |
| 193 | K | 98.4 | Very high | 98.2 | Very high | 125 Ų | 125 | 98.6 Ų | 98.6 | 54% | 0.543 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56.8 | -43.8 | 179 | -172.1 | -180 | 177.1 | -174.9 | 0 | 112.5 | E189 D190 L195 E196 E197 | E189-K193 PolarHBondContact O-N 3.03Å; D190-K193 PolarHBondContact O-N 3.33Å; K193-L195 VanDerWaalsContact C-N 3.35Å; K193-L195 PolarHBondContact O-N 3.24Å; K193-E196 PolarHBondContact O-N 3.05Å; K193-E197 WeakPolarHBondContact O-CG 3.47Å; K193-E197 PolarHBondContact O-N 3.32Å |
| 194 | C | 98.1 | Very high | 98.1 | Very high | 55 Ų | 55 | 99.9 Ų | 99.9 | 37% | 0.372 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 175.3 | -178.7 | 0 | 0 | 0 | 0 | 112.5 | D190 K191 I192 E197 K198 | D190-C194 PolarHBondContact O-N 3.43Å; D190-C194 VanDerWaalsContact O-N 3.07Å; K191-C194 PolarHBondContact O-N 3.07Å; I192-C194 VanDerWaalsContact C-N 3.32Å; I192-C194 PolarHBondContact O-N 3.02Å; C194-E197 PolarHBondContact O-N 3.32Å; C194-K198 WeakPolarHBondContact O-CG 3.36Å; C194-K198 PolarHBondContact O-N 2.84Å |
| 195 | L | 98.3 | Very high | 98 | Very high | 101 Ų | 101 | 100.1 Ų | 100.1 | 53% | 0.529 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.2 | -38.2 | 176.5 | -70.5 | 172.7 | 0 | 0 | 0 | 112 | K191 I192 K193 K198 L199 | K191-L195 HydrophobicContact CG-CD1 4.37Å; K191-L195 WeakPolarHBondContact O-CG 3.43Å; K191-L195 PolarHBondContact O-N 3.43Å; I192-L195 CarbonylContact O-C 3.59Å; I192-L195 WeakPolarHBondContact O-CA 3.49Å; I192-L195 WeakPolarHBondContact O-CB 3.5Å; I192-L195 PolarHBondContact O-N 2.97Å; K193-L195 VanDerWaalsContact C-N 3.35Å; K193-L195 PolarHBondContact O-N 3.24Å; L195-K198 PolarHBondContact O-N 3.34Å; L195-L199 WeakPolarHBondContact O-CB 3.35Å; L195-L199 PolarHBondContact O-N 3.15Å |
| 196 | E | 98.1 | Very high | 98 | Very high | 103 Ų | 103 | 100.7 Ų | 100.7 | 48% | 0.481 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 174 | -71.3 | 176.4 | 164.3 | 0 | 0 | 111.9 | I192 K193 L199 K200 | I192-E196 HydrophobicContact CG2-CG 4.19Å; I192-E196 WeakPolarHBondContact O-CG 3.39Å; I192-E196 PolarHBondContact O-N 3.47Å; K193-E196 PolarHBondContact O-N 3.05Å; E196-L199 PolarHBondContact O-N 3.29Å; E196-K200 WeakPolarHBondContact O-CG 3.43Å; E196-K200 PolarHBondContact O-N 3.43Å; E196-K200 VanDerWaalsContact O-N 3.09Å |
| 197 | E | 97.9 | Very high | 97.9 | Very high | 111 Ų | 111 | 102.2 Ų | 102.2 | 52% | 0.519 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.5 | -46.3 | 174.9 | -73.5 | 170.3 | -173.5 | 0 | 0 | 111.7 | K193 C194 L199 K200 E201 | K193-E197 WeakPolarHBondContact O-CG 3.47Å; K193-E197 PolarHBondContact O-N 3.32Å; C194-E197 PolarHBondContact O-N 3.32Å; E197-L199 VanDerWaalsContact C-N 3.32Å; E197-L199 PolarHBondContact O-N 3.09Å; E197-K200 PolarHBondContact O-N 3.4Å; E197-E201 PolarHBondContact O-N 2.88Å; E197-E201 VanDerWaalsContact O-N 3.15Å |
| 198 | K | 98.1 | Very high | 97.8 | Very high | 131 Ų | 131 | 100.6 Ų | 100.6 | 57% | 0.57 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.8 | -38.9 | 175.2 | -73.7 | -179.7 | 180 | -177.8 | 0 | 112.5 | C194 L195 E201 E202 | C194-K198 WeakPolarHBondContact O-CG 3.36Å; C194-K198 PolarHBondContact O-N 2.84Å; L195-K198 PolarHBondContact O-N 3.34Å; K198-E201 PolarHBondContact O-N 2.96Å; K198-E202 WeakPolarHBondContact O-CG 3.4Å; K198-E202 PolarHBondContact O-N 3.38Å |
| 199 | L | 98.1 | Very high | 97.7 | Very high | 96 Ų | 96 | 105.7 Ų | 105.7 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 177.9 | -178 | 64 | 0 | 0 | 0 | 111.2 | L195 E196 E197 E201 E202 E203 | L195-L199 WeakPolarHBondContact O-CB 3.35Å; L195-L199 PolarHBondContact O-N 3.15Å; E196-L199 PolarHBondContact O-N 3.29Å; E197-L199 VanDerWaalsContact C-N 3.32Å; E197-L199 PolarHBondContact O-N 3.09Å; L199-E201 VanDerWaalsContact C-N 3.33Å; L199-E201 PolarHBondContact O-N 2.88Å; L199-E202 PolarHBondContact O-N 3.35Å; L199-E203 WeakPolarHBondContact O-CB 3.41Å; L199-E203 WeakPolarHBondContact O-CG 3.4Å; L199-E203 PolarHBondContact O-N 2.9Å |
| 200 | K | 97.7 | Very high | 97.5 | Very high | 137 Ų | 137 | 108.2 Ų | 108.2 | 60% | 0.596 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.2 | -40.7 | 176.3 | -72.6 | 172.8 | -176.5 | 172.8 | 0 | 112.5 | E196 E197 E203 H204 | E196-K200 WeakPolarHBondContact O-CG 3.43Å; E196-K200 PolarHBondContact O-N 3.43Å; E196-K200 VanDerWaalsContact O-N 3.09Å; E197-K200 PolarHBondContact O-N 3.4Å; K200-E203 PolarHBondContact O-N 3.35Å; K200-H204 PolarHBondContact O-N 2.77Å |
| 201 | E | 97.6 | Very high | 97.4 | Very high | 96 Ų | 96 | 108.5 Ų | 108.5 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.4 | -49.1 | 176.2 | -176.2 | 56 | -143.5 | 0 | 0 | 111 | E197 K198 L199 E203 H204 Q205 | E197-E201 PolarHBondContact O-N 2.88Å; E197-E201 VanDerWaalsContact O-N 3.15Å; K198-E201 PolarHBondContact O-N 2.96Å; L199-E201 VanDerWaalsContact C-N 3.33Å; L199-E201 PolarHBondContact O-N 2.88Å; E201-E203 VanDerWaalsContact C-N 3.31Å; E201-E203 PolarHBondContact O-N 3.03Å; E201-H204 WeakPolarHBondContact O-CA 3.47Å; E201-H204 WeakPolarHBondContact O-CB 3.46Å; E201-H204 PolarHBondContact O-N 3.38Å; E201-Q205 WeakPolarHBondContact O-CG 3.37Å; E201-Q205 PolarHBondContact O-N 2.9Å; E201-Q205 PolarHBondContact OE1-NE2 3.44Å |
| 202 | E | 97.5 | Very high | 97.3 | Very high | 102 Ų | 102 | 109.4 Ų | 109.4 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.7 | -41 | 176.4 | -78.2 | -65.2 | 137.7 | 0 | 0 | 112.5 | K198 L199 H204 Q205 R206 | K198-E202 WeakPolarHBondContact O-CG 3.4Å; K198-E202 PolarHBondContact O-N 3.38Å; L199-E202 PolarHBondContact O-N 3.35Å; E202-H204 VanDerWaalsContact C-N 3.34Å; E202-H204 PolarHBondContact O-N 3.45Å; E202-Q205 PolarHBondContact O-N 2.95Å; E202-R206 WeakPolarHBondContact O-CB 3.49Å; E202-R206 VanDerWaalsContact O-CG 3.3Å; E202-R206 WeakPolarHBondContact O-CG 3.32Å; E202-R206 PolarHBondContact O-N 3.5Å |
| 203 | E | 97.1 | Very high | 97.1 | Very high | 80 Ų | 80 | 107.2 Ų | 107.2 | 37% | 0.374 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 173.3 | -74.8 | 176.4 | 178.3 | 0 | 0 | 112.5 | L199 K200 E201 R207 | L199-E203 WeakPolarHBondContact O-CB 3.41Å; L199-E203 WeakPolarHBondContact O-CG 3.4Å; L199-E203 PolarHBondContact O-N 2.9Å; K200-E203 PolarHBondContact O-N 3.35Å; E201-E203 VanDerWaalsContact C-N 3.31Å; E201-E203 PolarHBondContact O-N 3.03Å; E203-R207 WeakPolarHBondContact O-CG 3.3Å; E203-R207 PolarHBondContact O-N 3.07Å; E203-R207 PolarHBondContact O-NE 3.42Å |
| 204 | H | 97.4 | Very high | 96.8 | Very high | 85 Ų | 85 | 103.4 Ų | 103.4 | 39% | 0.394 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 174.8 | -177.7 | 65.2 | 0 | 0 | 0 | 111.7 | K200 E201 E202 R206 R207 L208 | K200-H204 PolarHBondContact O-N 2.77Å; E201-H204 WeakPolarHBondContact O-CA 3.47Å; E201-H204 WeakPolarHBondContact O-CB 3.46Å; E201-H204 PolarHBondContact O-N 3.38Å; E202-H204 VanDerWaalsContact C-N 3.34Å; E202-H204 PolarHBondContact O-N 3.45Å; H204-R206 PolarHBondContact O-N 3Å; H204-R207 WeakPolarHBondContact O-CB 3.4Å; H204-R207 PolarHBondContact O-N 3.3Å; H204-L208 PolarHBondContact O-N 3.43Å |
| 205 | Q | 96.9 | Very high | 96.6 | Very high | 92 Ų | 92 | 106.7 Ų | 106.7 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 175.8 | -65.7 | -59.2 | -29.8 | 0 | 0 | 112 | E201 E202 R207 L208 F209 | E201-Q205 WeakPolarHBondContact O-CG 3.37Å; E201-Q205 PolarHBondContact O-N 2.9Å; E201-Q205 PolarHBondContact OE1-NE2 3.44Å; E202-Q205 PolarHBondContact O-N 2.95Å; Q205-R207 VanDerWaalsContact C-N 3.33Å; Q205-R207 PolarHBondContact O-N 3.31Å; Q205-L208 PolarHBondContact O-N 3.2Å; Q205-F209 PolarHBondContact O-N 3.49Å |
| 206 | R | 97.1 | Very high | 96.3 | Very high | 167 Ų | 167 | 105.5 Ų | 105.5 | 63% | 0.63 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.9 | -40.9 | 174.5 | -74.9 | 174.9 | -174 | 173.6 | 2.7 | 112.3 | E202 H204 F209 Q210 | E202-R206 WeakPolarHBondContact O-CB 3.49Å; E202-R206 VanDerWaalsContact O-CG 3.3Å; E202-R206 WeakPolarHBondContact O-CG 3.32Å; E202-R206 PolarHBondContact O-N 3.5Å; H204-R206 PolarHBondContact O-N 3Å; R206-F209 PolarHBondContact O-N 2.96Å; R206-Q210 WeakPolarHBondContact O-CB 3.45Å; R206-Q210 PolarHBondContact O-N 3.48Å |
| 207 | R | 96.6 | Very high | 96 | Very high | 120 Ų | 120 | 108.6 Ų | 108.6 | 45% | 0.453 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.4 | -50.4 | 174.3 | -76.7 | -178.8 | -73.8 | -111.2 | -2.8 | 111.6 | E203 H204 Q205 F209 Q210 D211 | E203-R207 WeakPolarHBondContact O-CG 3.3Å; E203-R207 PolarHBondContact O-N 3.07Å; E203-R207 PolarHBondContact O-NE 3.42Å; H204-R207 WeakPolarHBondContact O-CB 3.4Å; H204-R207 PolarHBondContact O-N 3.3Å; Q205-R207 VanDerWaalsContact C-N 3.33Å; Q205-R207 PolarHBondContact O-N 3.31Å; R207-F209 VanDerWaalsContact C-N 3.29Å; R207-F209 PolarHBondContact O-N 3.42Å; R207-Q210 WeakPolarHBondContact O-CB 3.43Å; R207-Q210 PolarHBondContact O-N 3.01Å; R207-Q210 VanDerWaalsContact O-N 3.1Å; R207-D211 PolarHBondContact O-N 3.45Å |
| 208 | L | 96.8 | Very high | 95.6 | Very high | 61 Ų | 61 | 109.7 Ų | 109.7 | 32% | 0.319 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.6 | -41 | 177.1 | -70.7 | 174.9 | 0 | 0 | 0 | 112.5 | H204 Q205 D211 R212 | H204-L208 PolarHBondContact O-N 3.43Å; Q205-L208 PolarHBondContact O-N 3.2Å; L208-D211 PolarHBondContact O-N 3.06Å; L208-R212 WeakPolarHBondContact O-CG 3.37Å; L208-R212 PolarHBondContact O-N 3.47Å; L208-R212 VanDerWaalsContact O-N 3.07Å |
| 209 | F | 96.1 | Very high | 95.3 | Very high | 156 Ų | 156 | 108.2 Ų | 108.2 | 68% | 0.684 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.2 | -42.7 | 176.4 | -174.4 | -93.8 | 0 | 0 | 0 | 111.9 | Q205 R206 R207 R212 A213 | Q205-F209 PolarHBondContact O-N 3.49Å; R206-F209 PolarHBondContact O-N 2.96Å; R207-F209 VanDerWaalsContact C-N 3.29Å; R207-F209 PolarHBondContact O-N 3.42Å; F209-R212 PolarHBondContact O-N 2.88Å; F209-A213 WeakPolarHBondContact O-CB 3.37Å; F209-A213 PolarHBondContact O-N 3.36Å |
| 210 | Q | 95.1 | Very high | 94.8 | Very high | 128 Ų | 128 | 109.4 Ų | 109.4 | 60% | 0.598 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.4 | -42.5 | 176.1 | -173.5 | 176.9 | 12.1 | 0 | 0 | 111.8 | R206 R207 A213 C214 | R206-Q210 WeakPolarHBondContact O-CB 3.45Å; R206-Q210 PolarHBondContact O-N 3.48Å; R207-Q210 WeakPolarHBondContact O-CB 3.43Å; R207-Q210 PolarHBondContact O-N 3.01Å; R207-Q210 VanDerWaalsContact O-N 3.1Å; Q210-A213 PolarHBondContact O-N 2.89Å; Q210-C214 WeakPolarHBondContact O-CB 3.46Å; Q210-C214 PolarHBondContact O-N 2.89Å; Q210-C214 PolarHBondContact O-SG 3.18Å; Q210-C214 VanDerWaalsContact O-SG 3.36Å |
| 211 | D | 95.7 | Very high | 94.3 | Very high | 95 Ų | 95 | 108.4 Ų | 108.4 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.6 | -47 | 177.2 | -69.9 | -24.6 | 0 | 0 | 0 | 111.2 | R207 L208 A213 C214 E215 | R207-D211 PolarHBondContact O-N 3.45Å; L208-D211 PolarHBondContact O-N 3.06Å; D211-A213 PolarHBondContact O-N 2.9Å; D211-C214 WeakPolarHBondContact O-CB 3.35Å; D211-C214 PolarHBondContact O-N 3.1Å; D211-E215 PolarHBondContact O-N 3.27Å |
| 212 | R | 95.6 | Very high | 93.7 | Very high | 166 Ų | 166 | 110.4 Ų | 110.4 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.1 | -42.4 | 174.2 | -71 | 178.2 | -171.3 | -172.5 | 4.4 | 112.1 | L208 F209 C214 E215 V216 | L208-R212 WeakPolarHBondContact O-CG 3.37Å; L208-R212 PolarHBondContact O-N 3.47Å; L208-R212 VanDerWaalsContact O-N 3.07Å; F209-R212 PolarHBondContact O-N 2.88Å; R212-C214 VanDerWaalsContact C-N 3.29Å; R212-C214 PolarHBondContact O-N 2.9Å; R212-E215 PolarHBondContact O-N 3.24Å; R212-V216 WeakPolarHBondContact O-CG2 3.41Å; R212-V216 PolarHBondContact O-N 3.43Å |
| 213 | A | 94.4 | Very high | 93.2 | Very high | 44 Ų | 44 | 110.3 Ų | 110.3 | 36% | 0.364 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -37.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F209 Q210 D211 R217 | F209-A213 WeakPolarHBondContact O-CB 3.37Å; F209-A213 PolarHBondContact O-N 3.36Å; Q210-A213 PolarHBondContact O-N 2.89Å; D211-A213 PolarHBondContact O-N 2.9Å; A213-R217 WeakPolarHBondContact O-CB 3.34Å; A213-R217 PolarHBondContact O-N 2.99Å |
| 214 | C | 93.4 | Very high | 92.4 | Very high | 46 Ų | 46 | 110.2 Ų | 110.2 | 31% | 0.311 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 172.5 | -75.3 | 0 | 0 | 0 | 0 | 112.4 | Q210 D211 R212 R217 K218 | Q210-C214 WeakPolarHBondContact O-CB 3.46Å; Q210-C214 PolarHBondContact O-N 2.89Å; Q210-C214 PolarHBondContact O-SG 3.18Å; Q210-C214 VanDerWaalsContact O-SG 3.36Å; D211-C214 WeakPolarHBondContact O-CB 3.35Å; D211-C214 PolarHBondContact O-N 3.1Å; R212-C214 VanDerWaalsContact C-N 3.29Å; R212-C214 PolarHBondContact O-N 2.9Å; C214-R217 PolarHBondContact O-N 2.97Å; C214-K218 WeakPolarHBondContact O-CG 3.35Å; C214-K218 PolarHBondContact O-N 2.91Å |
| 215 | E | 92.4 | Very high | 91.7 | Very high | 123 Ų | 123 | 109.9 Ų | 109.9 | 58% | 0.575 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.9 | -47.9 | 174.4 | -74 | 179.2 | 172.7 | 0 | 0 | 111.7 | D211 R212 R217 K218 L219 | D211-E215 PolarHBondContact O-N 3.27Å; R212-E215 PolarHBondContact O-N 3.24Å; E215-R217 VanDerWaalsContact C-N 3.35Å; E215-R217 PolarHBondContact O-N 3.45Å; E215-K218 PolarHBondContact O-N 3.25Å; E215-L219 WeakPolarHBondContact O-CG 3.3Å; E215-L219 PolarHBondContact O-N 2.87Å |
| 216 | V | 92.9 | Very high | 90.7 | Very high | 76 Ų | 76 | 108.8 Ų | 108.8 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 176.5 | 171 | 0 | 0 | 0 | 0 | 110.9 | R212 K218 L219 Q220 | R212-V216 WeakPolarHBondContact O-CG2 3.41Å; R212-V216 PolarHBondContact O-N 3.43Å; V216-K218 PolarHBondContact O-N 3.22Å; V216-L219 PolarHBondContact O-N 3.45Å; V216-Q220 HydrophobicContact CG1-CG 4.39Å; V216-Q220 WeakPolarHBondContact O-CG 3.49Å; V216-Q220 PolarHBondContact O-N 3.38Å |
| 217 | R | 90.8 | Very high | 89.7 | Confident | 169 Ų | 169 | 107.4 Ų | 107.4 | 64% | 0.638 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.6 | -44.8 | 176.6 | -172.4 | -171.1 | -61.9 | 168.9 | 0.5 | 111.9 | A213 C214 E215 L219 Q220 E221 | A213-R217 WeakPolarHBondContact O-CB 3.34Å; A213-R217 PolarHBondContact O-N 2.99Å; C214-R217 PolarHBondContact O-N 2.97Å; E215-R217 VanDerWaalsContact C-N 3.35Å; E215-R217 PolarHBondContact O-N 3.45Å; R217-L219 VanDerWaalsContact C-N 3.34Å; R217-L219 PolarHBondContact O-N 2.94Å; R217-Q220 WeakPolarHBondContact O-CB 3.42Å; R217-Q220 PolarHBondContact O-N 3.32Å; R217-E221 PolarHBondContact O-N 3.49Å |
| 218 | K | 91.2 | Very high | 88.4 | Confident | 133 Ų | 133 | 105.4 Ų | 105.4 | 58% | 0.578 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.1 | -41 | 176.3 | -73.7 | 174.3 | -178.6 | 177 | 0 | 111.8 | C214 E215 V216 E221 K222 | C214-K218 WeakPolarHBondContact O-CG 3.35Å; C214-K218 PolarHBondContact O-N 2.91Å; E215-K218 PolarHBondContact O-N 3.25Å; V216-K218 PolarHBondContact O-N 3.22Å; K218-E221 PolarHBondContact O-N 2.92Å; K218-K222 WeakPolarHBondContact O-CG 3.5Å; K218-K222 PolarHBondContact O-N 2.9Å |
| 219 | L | 91.3 | Very high | 86.7 | Confident | 101 Ų | 101 | 108 Ų | 108 | 53% | 0.529 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 175.6 | -71.6 | 173.6 | 0 | 0 | 0 | 111.5 | E215 V216 R217 K222 I223 | E215-L219 WeakPolarHBondContact O-CG 3.3Å; E215-L219 PolarHBondContact O-N 2.87Å; V216-L219 PolarHBondContact O-N 3.45Å; R217-L219 VanDerWaalsContact C-N 3.34Å; R217-L219 PolarHBondContact O-N 2.94Å; L219-K222 PolarHBondContact O-N 3.29Å; L219-I223 VanDerWaalsContact O-CG1 3.3Å; L219-I223 WeakPolarHBondContact O-CG1 3.39Å; L219-I223 PolarHBondContact O-N 3.28Å |
| 220 | Q | 86.6 | Confident | 84.9 | Confident | 121 Ų | 121 | 108 Ų | 108 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60 | -45.5 | 174.6 | -73.7 | 171.8 | -20.9 | 0 | 0 | 111.8 | V216 R217 I223 E224 | V216-Q220 HydrophobicContact CG1-CG 4.39Å; V216-Q220 WeakPolarHBondContact O-CG 3.49Å; V216-Q220 PolarHBondContact O-N 3.38Å; R217-Q220 WeakPolarHBondContact O-CB 3.42Å; R217-Q220 PolarHBondContact O-N 3.32Å; Q220-I223 PolarHBondContact O-N 3.48Å; Q220-E224 WeakPolarHBondContact O-CB 3.5Å; Q220-E224 PolarHBondContact O-N 2.96Å |
| 221 | E | 87.6 | Confident | 83 | Confident | 116 Ų | 116 | 106.4 Ų | 106.4 | 54% | 0.542 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 175.9 | -175.2 | -178.7 | -171 | 0 | 0 | 112 | R217 K218 E224 N225 | R217-E221 PolarHBondContact O-N 3.49Å; K218-E221 PolarHBondContact O-N 2.92Å; E221-E224 PolarHBondContact O-N 2.74Å; E221-N225 WeakPolarHBondContact O-CB 3.43Å; E221-N225 VanDerWaalsContact O-CG 3.25Å; E221-N225 PolarHBondContact O-N 3.49Å; E221-N225 PolarHBondContact O-ND2 2.87Å |
| 222 | K | 86 | Confident | 81 | Confident | 138 Ų | 138 | 106.2 Ų | 106.2 | 60% | 0.6 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.7 | -45.9 | 173.5 | -76.5 | 177.2 | -179.1 | -176.6 | 0 | 111.9 | K218 L219 E224 N225 S226 | K218-K222 WeakPolarHBondContact O-CG 3.5Å; K218-K222 PolarHBondContact O-N 2.9Å; L219-K222 PolarHBondContact O-N 3.29Å; K222-E224 VanDerWaalsContact C-N 3.33Å; K222-E224 PolarHBondContact O-N 3.17Å; K222-N225 PolarHBondContact O-N 3.16Å; K222-S226 WeakPolarHBondContact O-CB 3.36Å; K222-S226 PolarHBondContact O-N 3.46Å; K222-S226 PolarHBondContact O-OG 3.47Å |
| 223 | I | 86 | Confident | 78.9 | Confident | 99 Ų | 99 | 101 Ų | 101 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 177.2 | -69.3 | 165.7 | 0 | 0 | 0 | 110.5 | L219 Q220 S226 R227 | L219-I223 VanDerWaalsContact O-CG1 3.3Å; L219-I223 WeakPolarHBondContact O-CG1 3.39Å; L219-I223 PolarHBondContact O-N 3.28Å; Q220-I223 PolarHBondContact O-N 3.48Å; I223-S226 PolarHBondContact O-N 3.41Å; I223-R227 WeakPolarHBondContact O-CB 3.34Å; I223-R227 PolarHBondContact O-N 2.85Å |
| 224 | E | 81.6 | Confident | 76.6 | Confident | 79 Ų | 79 | 106.6 Ų | 106.6 | 37% | 0.369 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 178.4 | -163.7 | 60.9 | -142 | 0 | 0 | 111.7 | Q220 E221 K222 S226 R227 I228 | Q220-E224 WeakPolarHBondContact O-CB 3.5Å; Q220-E224 PolarHBondContact O-N 2.96Å; E221-E224 PolarHBondContact O-N 2.74Å; K222-E224 VanDerWaalsContact C-N 3.33Å; K222-E224 PolarHBondContact O-N 3.17Å; E224-S226 VanDerWaalsContact C-N 3.35Å; E224-S226 PolarHBondContact O-N 2.84Å; E224-R227 WeakPolarHBondContact O-CB 3.3Å; E224-R227 PolarHBondContact O-N 2.89Å; E224-R227 VanDerWaalsContact O-N 3.17Å; E224-R227 IonicContact OE1-NH1 3.47Å; E224-R227 PolarHBondContact OE1-NH1 2.86Å; E224-R227 IonicContact OE2-CZ 3.12Å; E224-R227 VanDerWaalsContact OE2-CZ 3.32Å; E224-R227 IonicContact OE2-NH1 2.74Å; E224-R227 PolarHBondContact OE2-NH1 3.38Å; E224-R227 IonicContact OE2-NH2 2.91Å; E224-I228 HydrophobicContact CG-CD1 4.15Å; E224-I228 VanDerWaalsContact O-CG1 3.3Å; E224-I228 WeakPolarHBondContact O-CG1 3.4Å; E224-I228 PolarHBondContact O-N 2.93Å |
| 225 | N | 81.2 | Confident | 74.6 | Confident | 78 Ų | 78 | 116.8 Ų | 116.8 | 42% | 0.417 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.3 | -37.1 | 174.9 | -71.7 | -23.2 | 0 | 0 | 0 | 112.3 | E221 K222 I228 N229 | E221-N225 WeakPolarHBondContact O-CB 3.43Å; E221-N225 VanDerWaalsContact O-CG 3.25Å; E221-N225 PolarHBondContact O-N 3.49Å; E221-N225 PolarHBondContact O-ND2 2.87Å; K222-N225 PolarHBondContact O-N 3.16Å; N225-I228 PolarHBondContact O-N 3.4Å; N225-N229 WeakPolarHBondContact O-CB 3.29Å; N225-N229 PolarHBondContact O-N 2.87Å |
| 226 | S | 77.4 | Confident | 73.7 | Confident | 69 Ų | 69 | 116.5 Ų | 116.5 | 48% | 0.483 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.2 | -42.7 | 171.1 | -71.1 | 0 | 0 | 0 | 0 | 111.5 | K222 I223 E224 I228 N229 E230 | K222-S226 WeakPolarHBondContact O-CB 3.36Å; K222-S226 PolarHBondContact O-N 3.46Å; K222-S226 PolarHBondContact O-OG 3.47Å; I223-S226 PolarHBondContact O-N 3.41Å; E224-S226 VanDerWaalsContact C-N 3.35Å; E224-S226 PolarHBondContact O-N 2.84Å; S226-I228 PolarHBondContact O-N 3.5Å; S226-N229 PolarHBondContact O-N 3.29Å; S226-E230 WeakPolarHBondContact O-CB 3.48Å; S226-E230 WeakPolarHBondContact O-CG 3.4Å; S226-E230 PolarHBondContact O-N 3.35Å |
| 227 | R | 74.9 | Confident | 72.6 | Confident | 138 Ų | 138 | 118.6 Ų | 118.6 | 52% | 0.521 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.5 | -41 | 174.7 | -168.2 | -173.6 | -60 | 151.3 | 9.5 | 112.1 | I223 E224 S231 | I223-R227 WeakPolarHBondContact O-CB 3.34Å; I223-R227 PolarHBondContact O-N 2.85Å; E224-R227 WeakPolarHBondContact O-CB 3.3Å; E224-R227 PolarHBondContact O-N 2.89Å; E224-R227 VanDerWaalsContact O-N 3.17Å; E224-R227 IonicContact OE1-NH1 3.47Å; E224-R227 PolarHBondContact OE1-NH1 2.86Å; E224-R227 IonicContact OE2-CZ 3.12Å; E224-R227 VanDerWaalsContact OE2-CZ 3.32Å; E224-R227 IonicContact OE2-NH1 2.74Å; E224-R227 PolarHBondContact OE2-NH1 3.38Å; E224-R227 IonicContact OE2-NH2 2.91Å; R227-S231 WeakPolarHBondContact O-CB 3.47Å; R227-S231 PolarHBondContact O-N 3.23Å; R227-S231 PolarHBondContact O-OG 2.96Å |
| 228 | I | 69.6 | Low | 71.6 | Confident | 78 Ų | 78 | 115.8 Ų | 115.8 | 40% | 0.4 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.2 | -40.1 | 177.7 | -67.3 | 165.6 | 0 | 0 | 0 | 111.3 | E224 N225 S226 S231 S232 | E224-I228 HydrophobicContact CG-CD1 4.15Å; E224-I228 VanDerWaalsContact O-CG1 3.3Å; E224-I228 WeakPolarHBondContact O-CG1 3.4Å; E224-I228 PolarHBondContact O-N 2.93Å; N225-I228 PolarHBondContact O-N 3.4Å; S226-I228 PolarHBondContact O-N 3.5Å; I228-S231 VanDerWaalsContact C-OG 3.3Å; I228-S231 VanDerWaalsContact CA-OG 3.29Å; I228-S231 WeakPolarHBondContact CA-OG 3.41Å; I228-S231 CarbonylContact O-C 3.46Å; I228-S231 PolarHBondContact O-N 3.06Å; I228-S231 PolarHBondContact O-OG 2.99Å; I228-S232 WeakPolarHBondContact O-CB 3.32Å; I228-S232 PolarHBondContact O-N 3.15Å; I228-S232 PolarHBondContact O-OG 3.44Å |
| 229 | N | 60.4 | Low | 70.5 | Confident | 114 Ų | 114 | 114.8 Ų | 114.8 | 61% | 0.61 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.3 | -35.4 | 177.1 | -81.5 | -18.3 | 0 | 0 | 0 | 113 | N225 S226 S231 S232 G233 | N225-N229 WeakPolarHBondContact O-CB 3.29Å; N225-N229 PolarHBondContact O-N 2.87Å; S226-N229 PolarHBondContact O-N 3.29Å; N229-S231 PolarHBondContact O-N 3.41Å; N229-S232 CarbonylContact O-C 3.57Å; N229-S232 PolarHBondContact O-N 2.68Å; N229-S232 VanDerWaalsContact O-N 3.15Å; N229-G233 PolarHBondContact O-N 3.27Å |
| 230 | E | 59.1 | Low | 69.2 | Low | 158 Ų | 158 | 115.6 Ų | 115.6 | 74% | 0.738 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.5 | -28.8 | 168.9 | -76.2 | 176.4 | -179.3 | 0 | 0 | 111.6 | S226 | S226-E230 WeakPolarHBondContact O-CB 3.48Å; S226-E230 WeakPolarHBondContact O-CG 3.4Å; S226-E230 PolarHBondContact O-N 3.35Å |
| 231 | S | 55.5 | Low | 68 | Low | 94 Ų | 94 | 115.3 Ų | 115.3 | 66% | 0.657 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -82.2 | -11.7 | 171.1 | 70.7 | 0 | 0 | 0 | 0 | 115 | R227 I228 N229 | R227-S231 WeakPolarHBondContact O-CB 3.47Å; R227-S231 PolarHBondContact O-N 3.23Å; R227-S231 PolarHBondContact O-OG 2.96Å; I228-S231 VanDerWaalsContact C-OG 3.3Å; I228-S231 VanDerWaalsContact CA-OG 3.29Å; I228-S231 WeakPolarHBondContact CA-OG 3.41Å; I228-S231 CarbonylContact O-C 3.46Å; I228-S231 PolarHBondContact O-N 3.06Å; I228-S231 PolarHBondContact O-OG 2.99Å; N229-S231 PolarHBondContact O-N 3.41Å |
| 232 | S | 53.7 | Low | 66.6 | Low | 90 Ų | 90 | 115.2 Ų | 115.2 | 63% | 0.629 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -114.2 | -4.2 | -179.4 | -58.4 | 0 | 0 | 0 | 0 | 114.3 | I228 N229 | I228-S232 WeakPolarHBondContact O-CB 3.32Å; I228-S232 PolarHBondContact O-N 3.15Å; I228-S232 PolarHBondContact O-OG 3.44Å; N229-S232 CarbonylContact O-C 3.57Å; N229-S232 PolarHBondContact O-N 2.68Å; N229-S232 VanDerWaalsContact O-N 3.15Å |
| 233 | G | 50.6 | Low | 65.1 | Low | 57 Ų | 57 | 113.5 Ų | 113.5 | 59% | 0.588 | 61% | 0.611 | S | S | * | * | trans | -113.7 | 74.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | N229 | N229-G233 PolarHBondContact O-N 3.27Š| ||
| 234 | I | 45.8 | Very low | 63.4 | Low | 161 Ų | 161 | 114.7 Ų | 114.7 | 83% | 0.826 | 62% | 0.62 | S | S | * | * | trans | -129.5 | 126.6 | 152.1 | -68.2 | -177.5 | 0 | 0 | 0 | 107.7 | ||||
| 235 | H | 51.1 | Low | 61.8 | Low | 260 Ų | 260 | 117.9 Ų | 117.9 | 100% | 1.204 | 64% | 0.643 | S | S | * | * | trans | -53.4 | 0 | 167.1 | -112.2 | -61.1 | 0 | 0 | 0 | 113.5 |
Retrieved 235 of 235 residues in 207.6 ms
(Link to these results)