| 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 | 36.8 | Very low | 35.9 | Very low | 217 Ų | 217 | 153 Ų | 153 | 100% | 1.069 | 84% | 0.841 | S | S | * | * | 0 | 80 | 0 | -136.9 | 157.3 | -164.1 | 0 | 0 | 104.5 | |||||
| 2 | E | 34.6 | Very low | 36.9 | Very low | 158 Ų | 158 | 148.3 Ų | 148.3 | 74% | 0.738 | 83% | 0.827 | S | S | * | * | 86.5 | 104.3 | 105 | -71.6 | 165.7 | 161 | 0 | 0 | 108.2 | |||||
| 3 | E | 37.3 | Very low | 37.2 | Very low | 173 Ų | 173 | 145.8 Ų | 145.8 | 81% | 0.808 | 83% | 0.826 | S | S | * | * | 56.5 | 125 | 89.3 | -72.2 | -70.1 | 169.9 | 0 | 0 | 110.4 | |||||
| 4 | E | 36.3 | Very low | 37.8 | Very low | 184 Ų | 184 | 149 Ų | 149 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | cis | -157.2 | 171 | 40 | -63.5 | -164.2 | 162.5 | 0 | 0 | 108.5 | ||||
| 5 | G | 34.5 | Very low | 38.2 | Very low | 63 Ų | 63 | 152.1 Ų | 152.1 | 65% | 0.649 | 83% | 0.832 | S | S | * | * | cis | 147.1 | 125.7 | 14 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 6 | L | 33.3 | Very low | 38 | Very low | 172 Ų | 172 | 156.3 Ų | 156.3 | 90% | 0.901 | 83% | 0.831 | S | S | * | * | trans | -164.2 | 90 | 158 | -112.3 | 145.4 | 0 | 0 | 0 | 108.2 | ||||
| 7 | E | 32.9 | Very low | 38.3 | Very low | 189 Ų | 189 | 157 Ų | 157 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -67.4 | 142.8 | 169.1 | -67.4 | 175 | 113.3 | 0 | 0 | 110.6 | ||||
| 8 | C | 31.6 | Very low | 38.3 | Very low | 120 Ų | 120 | 157.6 Ų | 157.6 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | -121.3 | 134.5 | 153.5 | -73.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 9 | P | 38.7 | Very low | 38.7 | Very low | 128 Ų | 128 | 156.3 Ų | 156.3 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | trans | -84.7 | 152.7 | -159.7 | 4.1 | 14.2 | 0 | 0 | 0 | 112.8 | ||||
| 10 | N | 43.1 | Very low | 38.8 | Very low | 154 Ų | 154 | 157.4 Ų | 157.4 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | trans | -34.4 | 132.9 | 170.8 | -69 | -48.5 | 0 | 0 | 0 | 115.4 | ||||
| 11 | S | 35.5 | Very low | 39.8 | Very low | 125 Ų | 125 | 154.7 Ų | 154.7 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | -125.9 | 69.5 | 149.2 | 174.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 12 | S | 48.1 | Very low | 40.3 | Very low | 97 Ų | 97 | 152.9 Ų | 152.9 | 68% | 0.678 | 81% | 0.808 | S | S | * | * | trans | -79.3 | 113.9 | 161.8 | 52 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 13 | S | 41.2 | Very low | 40.9 | Very low | 116 Ų | 116 | 152.7 Ų | 152.7 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -172.5 | 62 | 150.5 | -77.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 14 | E | 45.6 | Very low | 41.6 | Very low | 190 Ų | 190 | 149.5 Ų | 149.5 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | trans | -88.7 | 119.9 | 149.7 | -87.7 | 177.9 | 92.7 | 0 | 0 | 107.3 | ||||
| 15 | K | 43 | Very low | 42.6 | Very low | 195 Ų | 195 | 146.5 Ų | 146.5 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | trans | 133.9 | 118.4 | 178.6 | -80.4 | 164 | -169.7 | 178.2 | 0 | 106.4 | ||||
| 16 | R | 35.3 | Very low | 43.9 | Very low | 220 Ų | 220 | 151.5 Ų | 151.5 | 83% | 0.83 | 82% | 0.82 | S | S | * | * | cis | -162 | 116.9 | 43.9 | -65 | 175.3 | -83.3 | 176.6 | 0.3 | 109.8 | ||||
| 17 | Y | 42.6 | Very low | 44.7 | Very low | 168 Ų | 168 | 146.7 Ų | 146.7 | 66% | 0.659 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -74.1 | 136.7 | 144.1 | -151.6 | -100.5 | 0 | 0 | 0 | 104.5 | ||
| 18 | F | 38.8 | Very low | 45.4 | Very low | 167 Ų | 167 | 145 Ų | 145 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | S | Bend | trans | 91.2 | 104.8 | -171.2 | -60.1 | -81.4 | 0 | 0 | 0 | 116.4 | ||
| 19 | P | 45.5 | Very low | 46.7 | Very low | 133 Ų | 133 | 147.7 Ų | 147.7 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 116.1 | 156.7 | -9.1 | 26.9 | 0 | 0 | 0 | 109.6 | ||
| 20 | E | 42.1 | Very low | 47.2 | Very low | 178 Ų | 178 | 150 Ų | 150 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 140.2 | 169 | -167.1 | 174.3 | 172 | 0 | 0 | 109.5 | ||
| 21 | S | 58.9 | Low | 47.7 | Very low | 101 Ų | 101 | 150.7 Ų | 150.7 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 140.5 | -179.2 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 22 | L | 47.2 | Very low | 48.3 | Very low | 179 Ų | 179 | 149.9 Ų | 149.9 | 94% | 0.937 | 80% | 0.797 | S | S | * | * | trans | -133.9 | 138 | 154.8 | -74.7 | 177.9 | 0 | 0 | 0 | 112.7 | ||||
| 23 | D | 47.9 | Very low | 48.5 | Very low | 154 Ų | 154 | 151.6 Ų | 151.6 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | -82.3 | 164.3 | -169.8 | -177.2 | 27.5 | 0 | 0 | 0 | 111.9 | ||||
| 24 | S | 51.4 | Low | 48.9 | Very low | 106 Ų | 106 | 150 Ų | 150 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | -68.7 | 146.9 | -165.3 | -47.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 25 | S | 57.2 | Low | 49.6 | Very low | 122 Ų | 122 | 146.5 Ų | 146.5 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -145.8 | 118.8 | 156.2 | -174.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 26 | D | 62.5 | Low | 50.4 | Low | 168 Ų | 168 | 144.8 Ų | 144.8 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | trans | -68.5 | 132.3 | 172.9 | -74.6 | -44.2 | 0 | 0 | 0 | 111.1 | ||||
| 27 | G | 48.9 | Very low | 52.4 | Low | 70 Ų | 70 | 142.5 Ų | 142.5 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -175.4 | 121.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E29 | G27-E29 PolarHBondContact O-N 3.44Š| ||
| 28 | D | 48.7 | Very low | 54.4 | Low | 155 Ų | 155 | 138.9 Ų | 138.9 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | -65.7 | 114.7 | -164.7 | -54.5 | -56.2 | 0 | 0 | 0 | 115.4 | ||||
| 29 | E | 59.2 | Low | 56.9 | Low | 176 Ų | 176 | 136.1 Ų | 136.1 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | 37.7 | 85.2 | 139.6 | 61.9 | -161.5 | 85.1 | 0 | 0 | 122.3 | G27 | G27-E29 PolarHBondContact O-N 3.44Š| ||
| 30 | E | 48.4 | Very low | 59.1 | Low | 176 Ų | 176 | 134.5 Ų | 134.5 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | -125.1 | 100.3 | 127.5 | -167.6 | 179.8 | -179.2 | 0 | 0 | 105.7 | V32 | E30-V32 HydrophobicContact CG-CG2 4.37Å; E30-V32 PolarHBondContact O-N 3.07Å | |||
| 31 | E | 52.5 | Low | 61.5 | Low | 169 Ų | 169 | 127.4 Ų | 127.4 | 79% | 0.79 | 72% | 0.718 | S | S | * | * | trans | -71.7 | 70.9 | 178.6 | -168.3 | 178.4 | 173.4 | 0 | 0 | 109.2 | L33 | E31-L33 VanDerWaalsContact C-N 3.3Å; E31-L33 HydrophobicContact CG-CD2 4.22Å; E31-L33 PolarHBondContact O-N 3.02Å | ||
| 32 | V | 48.4 | Very low | 62.9 | Low | 107 Ų | 107 | 126.7 Ų | 126.7 | 65% | 0.648 | 71% | 0.711 | S | S | * | * | trans | -60.8 | 105.4 | 151.8 | -176.8 | 0 | 0 | 0 | 0 | 103.8 | E30 A34 | E30-V32 HydrophobicContact CG-CG2 4.37Å; E30-V32 PolarHBondContact O-N 3.07Å; V32-A34 PolarHBondContact O-N 2.83Å | ||
| 33 | L | 53.1 | Low | 64.9 | Low | 134 Ų | 134 | 123.3 Ų | 123.3 | 70% | 0.702 | 69% | 0.689 | S | S | * | * | trans | -55.8 | 88.3 | 168.4 | -69.8 | 171.9 | 0 | 0 | 0 | 106.7 | E31 C35 | E31-L33 VanDerWaalsContact C-N 3.3Å; E31-L33 HydrophobicContact CG-CD2 4.22Å; E31-L33 PolarHBondContact O-N 3.02Å; L33-C35 VanDerWaalsContact C-N 3.29Å; L33-C35 PolarHBondContact O-N 3.32Å | ||
| 34 | A | 50.6 | Low | 66.9 | Low | 83 Ų | 83 | 120.4 Ų | 120.4 | 69% | 0.686 | 67% | 0.674 | S | S | * | * | trans | -58.5 | 104.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 103.8 | V32 E36 | V32-A34 PolarHBondContact O-N 2.83Å; A34-E36 PolarHBondContact O-N 2.7Å | ||
| 35 | C | 59.3 | Low | 68.7 | Low | 115 Ų | 115 | 117.5 Ų | 117.5 | 78% | 0.777 | 66% | 0.661 | S | S | * | * | trans | -61.8 | 94.3 | 164.7 | -66.6 | 0 | 0 | 0 | 0 | 103.7 | L33 D37 | L33-C35 VanDerWaalsContact C-N 3.29Å; L33-C35 PolarHBondContact O-N 3.32Å; C35-D37 PolarHBondContact O-N 3.1Å | ||
| 36 | E | 60.6 | Low | 70.4 | Confident | 159 Ų | 159 | 116.9 Ų | 116.9 | 74% | 0.743 | 65% | 0.647 | S | S | * | * | trans | -46.6 | 129.3 | 160.9 | -65.1 | -171.2 | 161.1 | 0 | 0 | 105.5 | A34 L38 | A34-E36 PolarHBondContact O-N 2.7Å; E36-L38 WeakPolarHBondContact O-CG 3.3Å; E36-L38 PolarHBondContact O-N 2.73Å | ||
| 37 | D | 77.3 | Confident | 72 | Confident | 172 Ų | 172 | 112.1 Ų | 112.1 | 92% | 0.92 | 63% | 0.626 | S | S | * | * | trans | -60.9 | 87.5 | -179.2 | -76.7 | -33 | 0 | 0 | 0 | 108.5 | C35 | C35-D37 PolarHBondContact O-N 3.1Š| ||
| 38 | L | 84.2 | Confident | 74.2 | Confident | 92 Ų | 92 | 110.3 Ų | 110.3 | 48% | 0.482 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -68.2 | 136.2 | -178.5 | -70 | 178 | 0 | 0 | 0 | 108.6 | E36 L40 P47 | E36-L38 WeakPolarHBondContact O-CG 3.3Å; E36-L38 PolarHBondContact O-N 2.73Å; L38-L40 PolarHBondContact O-N 3.11Å; L38-P47 HydrophobicContact CB-CB 3.89Å; L38-P47 HydrophobicContact CD1-CB 3.88Å |
| 39 | E | 91.4 | Very high | 76.5 | Confident | 110 Ų | 110 | 106.2 Ų | 106.2 | 51% | 0.514 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 129.2 | 175.9 | -170.4 | -173.7 | 179 | 0 | 0 | 109.9 | Y48 Y53 | E39-Y48 HydrophobicContact CB-CD2 4.07Å; E39-Y48 HydrophobicContact CB-CE2 4.45Å; E39-Y48 HydrophobicContact CG-CD2 4.06Å; E39-Y48 HydrophobicContact CG-CE2 3.92Å; E39-Y48 VanDerWaalsContact O-CD2 3.31Å; E39-Y48 WeakPolarHBondContact O-CD2 3.22Å; E39-Y48 PolarHBondContact O-N 3.38Å; E39-Y53 WeakPolarHBondContact CB-OH 3.31Å |
| 40 | L | 92 | Very high | 78.2 | Confident | 99 Ų | 99 | 103 Ų | 103 | 52% | 0.518 | 58% | 0.578 | S | S | . | * | B | Isolated β-bridge | trans | -85 | 138.6 | 179.2 | -57.7 | -176.8 | 0 | 0 | 0 | 110.4 | L38 P47 | L38-L40 PolarHBondContact O-N 3.11Å; L40-P47 HydrophobicContact CD2-CB 4.37Å; L40-P47 HydrophobicContact CD2-CG 3.85Å |
| 41 | N | 91.7 | Very high | 80.5 | Confident | 28 Ų | 28 | 103.3 Ų | 103.3 | 15% | 0.15 | 57% | 0.571 | C | S | . | * | P | Polyproline II helix | trans | -69.1 | 120.1 | 170.6 | 173.8 | 13.2 | 0 | 0 | 0 | 109.6 | F43 D44 G45 L46 Y48 | N41-F43 PolarHBondContact O-N 3.49Å; N41-F43 VanDerWaalsContact O-N 3.09Å; N41-F43 WeakPolarHBondContact OD1-CB 3.07Å; N41-F43 VanDerWaalsContact OD1-CD2 3.24Å; N41-F43 WeakPolarHBondContact OD1-CD2 3.45Å; N41-F43 PolarHBondContact OD1-N 3.18Å; N41-F43 VanDerWaalsContact OD1-N 3.09Å; N41-D44 VanDerWaalsContact CB-OD1 3.27Å; N41-D44 WeakPolarHBondContact CB-OD1 3.35Å; N41-D44 PolarHBondContact ND2-OD1 3.35Å; N41-D44 PolarHBondContact ND2-OD2 2.99Å; N41-D44 PolarHBondContact O-N 2.7Å; N41-G45 WeakPolarHBondContact O-CA 3.46Å; N41-G45 PolarHBondContact O-N 3.18Å; N41-L46 VanDerWaalsContact CB-O 3.31Å; N41-L46 WeakPolarHBondContact CB-O 3.47Å; N41-L46 PolarHBondContact N-O 3.49Å; N41-Y48 HydrophobicContact CB-CD1 3.83Å; N41-Y48 HydrophobicContact CB-CE1 3.59Å; N41-Y48 HydrophobicContact CB-CE2 4.49Å; N41-Y48 HydrophobicContact CB-CG 4.38Å |
| 42 | P | 89.4 | Confident | 82.7 | Confident | 86 Ų | 86 | 97.4 Ų | 97.4 | 56% | 0.558 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -11.3 | -177.3 | 29.4 | -35.7 | 0 | 0 | 0 | 113.4 | Y48 L104 | P42-Y48 WeakPolarHBondContact CD-OH 3.36Å; P42-L104 HydrophobicContact CB-CD1 4.29Å; P42-L104 HydrophobicContact CG-CD1 4.15Å |
| 43 | F | 87.6 | Confident | 85 | Confident | 108 Ų | 108 | 95.8 Ų | 95.8 | 47% | 0.474 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -27.8 | -180 | -67.5 | -92.3 | 0 | 0 | 0 | 113.8 | N41 A100 L104 | N41-F43 PolarHBondContact O-N 3.49Å; N41-F43 VanDerWaalsContact O-N 3.09Å; N41-F43 WeakPolarHBondContact OD1-CB 3.07Å; N41-F43 VanDerWaalsContact OD1-CD2 3.24Å; N41-F43 WeakPolarHBondContact OD1-CD2 3.45Å; N41-F43 PolarHBondContact OD1-N 3.18Å; N41-F43 VanDerWaalsContact OD1-N 3.09Å; F43-A100 HydrophobicContact CZ-CB 4.18Å; F43-L104 HydrophobicContact CD1-CD1 3.52Å; F43-L104 HydrophobicContact CD1-CG 4.39Å; F43-L104 HydrophobicContact CD2-CD1 3.7Å; F43-L104 HydrophobicContact CE1-CD1 3.25Å; F43-L104 HydrophobicContact CE1-CD2 4.42Å; F43-L104 HydrophobicContact CE1-CG 3.92Å; F43-L104 HydrophobicContact CE2-CD1 3.46Å; F43-L104 VanDerWaalsContact CE2-CD1 3.46Å; F43-L104 HydrophobicContact CG-CD1 3.75Å; F43-L104 HydrophobicContact CZ-CD1 3.22Å; F43-L104 HydrophobicContact CZ-CG 4.11Å |
| 44 | D | 90.6 | Very high | 87.1 | Confident | 93 Ų | 93 | 96 Ų | 96 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.2 | -6.1 | -176.9 | 59.1 | 19.7 | 0 | 0 | 0 | 114.1 | N41 L46 | N41-D44 VanDerWaalsContact CB-OD1 3.27Å; N41-D44 WeakPolarHBondContact CB-OD1 3.35Å; N41-D44 PolarHBondContact ND2-OD1 3.35Å; N41-D44 PolarHBondContact ND2-OD2 2.99Å; N41-D44 PolarHBondContact O-N 2.7Å; D44-L46 PolarHBondContact O-N 3.28Å; D44-L46 WeakPolarHBondContact OD1-CB 3.31Å; D44-L46 PolarHBondContact OD1-N 2.92Å |
| 45 | G | 89.3 | Confident | 89.4 | Confident | 46 Ų | 46 | 94.5 Ų | 94.5 | 47% | 0.474 | 50% | 0.501 | S | S | . | . | S | Bend | trans | 72.5 | 8.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | N41 | N41-G45 WeakPolarHBondContact O-CA 3.46Å; N41-G45 PolarHBondContact O-N 3.18Å |
| 46 | L | 92.6 | Very high | 91.2 | Very high | 108 Ų | 108 | 90.6 Ų | 90.6 | 57% | 0.565 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -93.2 | 153.3 | 179.1 | -60.5 | 177.5 | 0 | 0 | 0 | 110.8 | N41 D44 Y48 | N41-L46 VanDerWaalsContact CB-O 3.31Å; N41-L46 WeakPolarHBondContact CB-O 3.47Å; N41-L46 PolarHBondContact N-O 3.49Å; D44-L46 PolarHBondContact O-N 3.28Å; D44-L46 WeakPolarHBondContact OD1-CB 3.31Å; D44-L46 PolarHBondContact OD1-N 2.92Å; L46-Y48 PolarHBondContact O-N 3.37Å |
| 47 | P | 95.8 | Very high | 92.9 | Very high | 69 Ų | 69 | 89.9 Ų | 89.9 | 45% | 0.448 | 47% | 0.466 | S | S | . | . | B | Isolated β-bridge | trans | -55.8 | 139.5 | 172.1 | -25.6 | 34.8 | 0 | 0 | 0 | 111.9 | L38 L40 S49 | L38-P47 HydrophobicContact CB-CB 3.89Å; L38-P47 HydrophobicContact CD1-CB 3.88Å; L40-P47 HydrophobicContact CD2-CB 4.37Å; L40-P47 HydrophobicContact CD2-CG 3.85Å; P47-S49 PolarHBondContact O-N 3.46Å |
| 48 | Y | 95.6 | Very high | 93.9 | Very high | 31 Ų | 31 | 86.3 Ų | 86.3 | 12% | 0.122 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 137.5 | 172.2 | -76.4 | -66.4 | 0 | 0 | 0 | 111.5 | E39 N41 P42 L46 Y52 | E39-Y48 HydrophobicContact CB-CD2 4.07Å; E39-Y48 HydrophobicContact CB-CE2 4.45Å; E39-Y48 HydrophobicContact CG-CD2 4.06Å; E39-Y48 HydrophobicContact CG-CE2 3.92Å; E39-Y48 VanDerWaalsContact O-CD2 3.31Å; E39-Y48 WeakPolarHBondContact O-CD2 3.22Å; E39-Y48 PolarHBondContact O-N 3.38Å; N41-Y48 HydrophobicContact CB-CD1 3.83Å; N41-Y48 HydrophobicContact CB-CE1 3.59Å; N41-Y48 HydrophobicContact CB-CE2 4.49Å; N41-Y48 HydrophobicContact CB-CG 4.38Å; P42-Y48 WeakPolarHBondContact CD-OH 3.36Å; L46-Y48 PolarHBondContact O-N 3.37Å; Y48-Y52 AromaticContact CD1-CD1 3.53Å; Y48-Y52 HydrophobicContact CD1-CD1 3.53Å; Y48-Y52 AromaticContact CD1-CD2 3.67Å; Y48-Y52 HydrophobicContact CD1-CD2 3.67Å; Y48-Y52 AromaticContact CD1-CE1 3.65Å; Y48-Y52 HydrophobicContact CD1-CE1 3.65Å; Y48-Y52 AromaticContact CD1-CE2 3.8Å; Y48-Y52 HydrophobicContact CD1-CE2 3.8Å; Y48-Y52 AromaticContact CD1-CG 3.53Å; Y48-Y52 HydrophobicContact CD1-CG 3.53Å; Y48-Y52 AromaticContact CD1-CZ 3.78Å; Y48-Y52 HydrophobicContact CD2-CD1 4.14Å; Y48-Y52 AromaticContact CD2-CE1 3.79Å; Y48-Y52 HydrophobicContact CD2-CE1 3.79Å; Y48-Y52 HydrophobicContact CE1-CD1 4.23Å; Y48-Y52 AromaticContact CE1-CD2 3.9Å; Y48-Y52 HydrophobicContact CE1-CD2 3.9Å; Y48-Y52 AromaticContact CE1-CE1 3.92Å; Y48-Y52 HydrophobicContact CE1-CE1 3.92Å; Y48-Y52 AromaticContact CE1-CE2 3.58Å; Y48-Y52 HydrophobicContact CE1-CE2 3.58Å; Y48-Y52 HydrophobicContact CE1-CG 4.2Å; Y48-Y52 AromaticContact CE1-CZ 3.58Å; Y48-Y52 HydrophobicContact CE2-CE1 4.04Å; Y48-Y52 AromaticContact CG-CD1 3.47Å; Y48-Y52 HydrophobicContact CG-CD1 3.47Å; Y48-Y52 VanDerWaalsContact CG-CD1 3.47Å; Y48-Y52 HydrophobicContact CG-CD2 4.47Å; Y48-Y52 AromaticContact CG-CE1 3.57Å; Y48-Y52 HydrophobicContact CG-CE1 3.57Å; Y48-Y52 AromaticContact CG-CG 3.95Å; Y48-Y52 HydrophobicContact CG-CG 3.95Å; Y48-Y52 AromaticContact CZ-CZ 3.75Å |
| 49 | S | 96.4 | Very high | 94.6 | Very high | 69 Ų | 69 | 85 Ų | 85 | 48% | 0.483 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 154.5 | 176.4 | 69.3 | 0 | 0 | 0 | 0 | 112.4 | P47 R51 Y52 Y53 | P47-S49 PolarHBondContact O-N 3.46Å; S49-R51 PolarHBondContact O-N 3.35Å; S49-R51 VanDerWaalsContact O-N 3.14Å; S49-Y52 VanDerWaalsContact O-CB 3.26Å; S49-Y52 WeakPolarHBondContact O-CB 3.43Å; S49-Y52 PolarHBondContact O-N 3.19Å; S49-Y52 PolarHBondContact OG-N 3.33Å; S49-Y53 WeakPolarHBondContact O-CD2 3.44Å; S49-Y53 PolarHBondContact O-N 3.11Å |
| 50 | S | 96 | Very high | 94.9 | Very high | 108 Ų | 108 | 83.3 Ų | 83.3 | 76% | 0.755 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -54.6 | -34.3 | 171.5 | 57 | 0 | 0 | 0 | 0 | 113.2 | Y52 Y53 K54 | S50-Y52 VanDerWaalsContact C-N 3.32Å; S50-Y52 PolarHBondContact O-N 3.3Å; S50-Y53 PolarHBondContact O-N 3.11Å; S50-K54 PolarHBondContact O-N 3.24Å |
| 51 | R | 97.4 | Very high | 95.1 | Very high | 184 Ų | 184 | 85.1 Ų | 85.1 | 69% | 0.694 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.5 | -36.1 | 174.6 | -179.1 | 176.5 | 175.5 | 171.2 | -1.1 | 112.4 | S49 K54 L55 | S49-R51 PolarHBondContact O-N 3.35Å; S49-R51 VanDerWaalsContact O-N 3.14Å; R51-K54 PolarHBondContact O-N 2.87Å; R51-L55 HydrophobicContact CG-CD1 4.14Å; R51-L55 HydrophobicContact CG-CG 4.48Å; R51-L55 WeakPolarHBondContact O-CG 3.48Å; R51-L55 PolarHBondContact O-N 2.98Å |
| 52 | Y | 97 | Very high | 95.4 | Very high | 45 Ų | 45 | 86.2 Ų | 86.2 | 18% | 0.176 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -59.1 | -51 | 176.2 | 165.3 | -93.9 | 0 | 0 | 0 | 110.5 | Y48 S49 S50 K54 L55 L56 | Y48-Y52 AromaticContact CD1-CD1 3.53Å; Y48-Y52 HydrophobicContact CD1-CD1 3.53Å; Y48-Y52 AromaticContact CD1-CD2 3.67Å; Y48-Y52 HydrophobicContact CD1-CD2 3.67Å; Y48-Y52 AromaticContact CD1-CE1 3.65Å; Y48-Y52 HydrophobicContact CD1-CE1 3.65Å; Y48-Y52 AromaticContact CD1-CE2 3.8Å; Y48-Y52 HydrophobicContact CD1-CE2 3.8Å; Y48-Y52 AromaticContact CD1-CG 3.53Å; Y48-Y52 HydrophobicContact CD1-CG 3.53Å; Y48-Y52 AromaticContact CD1-CZ 3.78Å; Y48-Y52 HydrophobicContact CD2-CD1 4.14Å; Y48-Y52 AromaticContact CD2-CE1 3.79Å; Y48-Y52 HydrophobicContact CD2-CE1 3.79Å; Y48-Y52 HydrophobicContact CE1-CD1 4.23Å; Y48-Y52 AromaticContact CE1-CD2 3.9Å; Y48-Y52 HydrophobicContact CE1-CD2 3.9Å; Y48-Y52 AromaticContact CE1-CE1 3.92Å; Y48-Y52 HydrophobicContact CE1-CE1 3.92Å; Y48-Y52 AromaticContact CE1-CE2 3.58Å; Y48-Y52 HydrophobicContact CE1-CE2 3.58Å; Y48-Y52 HydrophobicContact CE1-CG 4.2Å; Y48-Y52 AromaticContact CE1-CZ 3.58Å; Y48-Y52 HydrophobicContact CE2-CE1 4.04Å; Y48-Y52 AromaticContact CG-CD1 3.47Å; Y48-Y52 HydrophobicContact CG-CD1 3.47Å; Y48-Y52 VanDerWaalsContact CG-CD1 3.47Å; Y48-Y52 HydrophobicContact CG-CD2 4.47Å; Y48-Y52 AromaticContact CG-CE1 3.57Å; Y48-Y52 HydrophobicContact CG-CE1 3.57Å; Y48-Y52 AromaticContact CG-CG 3.95Å; Y48-Y52 HydrophobicContact CG-CG 3.95Å; Y48-Y52 AromaticContact CZ-CZ 3.75Å; S49-Y52 VanDerWaalsContact O-CB 3.26Å; S49-Y52 WeakPolarHBondContact O-CB 3.43Å; S49-Y52 PolarHBondContact O-N 3.19Å; S49-Y52 PolarHBondContact OG-N 3.33Å; S50-Y52 VanDerWaalsContact C-N 3.32Å; S50-Y52 PolarHBondContact O-N 3.3Å; Y52-K54 VanDerWaalsContact C-N 3.3Å; Y52-K54 PolarHBondContact O-N 3.41Å; Y52-L55 CarbonylContact O-C 3.57Å; Y52-L55 PolarHBondContact O-N 3.22Å; Y52-L55 VanDerWaalsContact O-N 3.09Å; Y52-L56 HydrophobicContact CE1-CD2 4.15Å; Y52-L56 WeakPolarHBondContact O-CB 3.46Å; Y52-L56 PolarHBondContact O-N 3.23Å |
| 53 | Y | 96.7 | Very high | 95.9 | Very high | 72 Ų | 72 | 86 Ų | 86 | 28% | 0.282 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.8 | -33.9 | -179.5 | -66.2 | -68.9 | 0 | 0 | 0 | 113.3 | E39 S49 S50 L56 K57 | E39-Y53 WeakPolarHBondContact CB-OH 3.31Å; S49-Y53 WeakPolarHBondContact O-CD2 3.44Å; S49-Y53 PolarHBondContact O-N 3.11Å; S50-Y53 PolarHBondContact O-N 3.11Å; Y53-L56 HydrophobicContact CD1-CD2 4.44Å; Y53-L56 PolarHBondContact O-N 3.48Å; Y53-K57 PolarHBondContact O-N 3.01Å |
| 54 | K | 97.9 | Very high | 96.4 | Very high | 138 Ų | 138 | 81.3 Ų | 81.3 | 60% | 0.6 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.8 | -49.4 | 171.3 | -178.1 | 178.9 | 175.5 | 179.9 | 0 | 111.5 | S50 R51 Y52 L56 K57 E58 | S50-K54 PolarHBondContact O-N 3.24Å; R51-K54 PolarHBondContact O-N 2.87Å; Y52-K54 VanDerWaalsContact C-N 3.3Å; Y52-K54 PolarHBondContact O-N 3.41Å; K54-L56 VanDerWaalsContact C-N 3.29Å; K54-L56 PolarHBondContact O-N 2.88Å; K54-K57 PolarHBondContact O-N 3.5Å; K54-E58 WeakPolarHBondContact CE-OE1 3.21Å; K54-E58 PolarHBondContact O-N 3.07Å |
| 55 | L | 98.1 | Very high | 96.7 | Very high | 53 Ų | 53 | 79.5 Ų | 79.5 | 28% | 0.277 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.5 | -31.6 | 178.8 | -69.7 | 172.9 | 0 | 0 | 0 | 112.1 | R51 Y52 E58 R59 | R51-L55 HydrophobicContact CG-CD1 4.14Å; R51-L55 HydrophobicContact CG-CG 4.48Å; R51-L55 WeakPolarHBondContact O-CG 3.48Å; R51-L55 PolarHBondContact O-N 2.98Å; Y52-L55 CarbonylContact O-C 3.57Å; Y52-L55 PolarHBondContact O-N 3.22Å; Y52-L55 VanDerWaalsContact O-N 3.09Å; L55-E58 PolarHBondContact O-N 3.14Å; L55-R59 WeakPolarHBondContact O-CD 3.35Å; L55-R59 WeakPolarHBondContact O-CG 3.48Å; L55-R59 PolarHBondContact O-N 3.36Å |
| 56 | L | 96.9 | Very high | 97.1 | Very high | 33 Ų | 33 | 85.7 Ų | 85.7 | 17% | 0.173 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59.8 | -48.7 | 176.2 | -179 | 60.7 | 0 | 0 | 0 | 110.8 | Y52 Y53 K54 E58 R59 E60 W65 | Y52-L56 HydrophobicContact CE1-CD2 4.15Å; Y52-L56 WeakPolarHBondContact O-CB 3.46Å; Y52-L56 PolarHBondContact O-N 3.23Å; Y53-L56 HydrophobicContact CD1-CD2 4.44Å; Y53-L56 PolarHBondContact O-N 3.48Å; K54-L56 VanDerWaalsContact C-N 3.29Å; K54-L56 PolarHBondContact O-N 2.88Å; L56-E58 VanDerWaalsContact C-N 3.33Å; L56-E58 PolarHBondContact O-N 3.15Å; L56-R59 WeakPolarHBondContact O-CB 3.47Å; L56-R59 PolarHBondContact O-N 2.99Å; L56-E60 WeakPolarHBondContact O-CG 3.15Å; L56-E60 PolarHBondContact O-N 2.84Å; L56-W65 HydrophobicContact CD1-CH2 3.67Å; L56-W65 HydrophobicContact CD1-CZ2 4.43Å; L56-W65 HydrophobicContact CD1-CZ3 4.39Å |
| 57 | K | 97.9 | Very high | 97.3 | Very high | 143 Ų | 143 | 85.5 Ų | 85.5 | 62% | 0.622 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -57.8 | -44.1 | 175.3 | -67.6 | 178.2 | 179.6 | -177.6 | 0 | 112.2 | Y53 K54 R59 E60 D61 | Y53-K57 PolarHBondContact O-N 3.01Å; K54-K57 PolarHBondContact O-N 3.5Å; K57-R59 VanDerWaalsContact C-N 3.25Å; K57-R59 PolarHBondContact O-N 3.33Å; K57-E60 PolarHBondContact O-N 3.48Å; K57-D61 PolarHBondContact O-N 3.46Å |
| 58 | E | 98.1 | Very high | 97.4 | Very high | 97 Ų | 97 | 84.6 Ų | 84.6 | 45% | 0.453 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.6 | -29.9 | 176.6 | -66.8 | 174.3 | -165.2 | 0 | 0 | 112.8 | K54 L55 L56 | K54-E58 WeakPolarHBondContact CE-OE1 3.21Å; K54-E58 PolarHBondContact O-N 3.07Å; L55-E58 PolarHBondContact O-N 3.14Å; L56-E58 VanDerWaalsContact C-N 3.33Å; L56-E58 PolarHBondContact O-N 3.15Å |
| 59 | R | 98.1 | Very high | 97.4 | Very high | 65 Ų | 65 | 91.5 Ų | 91.5 | 25% | 0.245 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -77.4 | -35.7 | 176.9 | -67.1 | 164.5 | -174.1 | -179.5 | 1.2 | 112.1 | L55 L56 K57 D61 L62 W65 | L55-R59 WeakPolarHBondContact O-CD 3.35Å; L55-R59 WeakPolarHBondContact O-CG 3.48Å; L55-R59 PolarHBondContact O-N 3.36Å; L56-R59 WeakPolarHBondContact O-CB 3.47Å; L56-R59 PolarHBondContact O-N 2.99Å; K57-R59 VanDerWaalsContact C-N 3.25Å; K57-R59 PolarHBondContact O-N 3.33Å; R59-D61 PolarHBondContact O-N 3.37Å; R59-L62 WeakPolarHBondContact O-CB 3.24Å; R59-L62 PolarHBondContact O-N 3.4Å; R59-W65 HydrophobicContact CB-CE3 4.1Å; R59-W65 HydrophobicContact CB-CZ3 3.9Å |
| 60 | E | 97.5 | Very high | 97.5 | Very high | 74 Ų | 74 | 90.8 Ų | 90.8 | 35% | 0.346 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59 | -31.4 | 175.2 | -74.3 | 176.2 | 170.1 | 0 | 0 | 112.2 | L56 K57 L62 W65 | L56-E60 WeakPolarHBondContact O-CG 3.15Å; L56-E60 PolarHBondContact O-N 2.84Å; K57-E60 PolarHBondContact O-N 3.48Å; E60-L62 VanDerWaalsContact C-N 3.31Å; E60-L62 PolarHBondContact O-N 2.78Å; E60-W65 HydrophobicContact CB-CD2 4.35Å; E60-W65 HydrophobicContact CG-CD2 4.02Å; E60-W65 VanDerWaalsContact CG-CE2 3.45Å; E60-W65 HydrophobicContact CG-CE3 4.48Å; E60-W65 HydrophobicContact CG-CH2 3.99Å; E60-W65 HydrophobicContact CG-CZ2 3.45Å; E60-W65 VanDerWaalsContact CG-CZ2 3.45Å; E60-W65 HydrophobicContact CG-CZ3 4.48Å; E60-W65 WeakPolarHBondContact O-CB 3.16Å |
| 61 | D | 97.6 | Very high | 97.6 | Very high | 138 Ų | 138 | 86.6 Ų | 86.6 | 74% | 0.738 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -13.4 | 177.1 | -69.4 | -30.2 | 0 | 0 | 0 | 113.9 | K57 R59 | K57-D61 PolarHBondContact O-N 3.46Å; R59-D61 PolarHBondContact O-N 3.37Å |
| 62 | L | 98.1 | Very high | 97.6 | Very high | 50 Ų | 50 | 79.5 Ų | 79.5 | 26% | 0.262 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -70.7 | 139.8 | -179.9 | -66.6 | 173.2 | 0 | 0 | 0 | 110.7 | R59 E60 I64 W65 Q94 | R59-L62 WeakPolarHBondContact O-CB 3.24Å; R59-L62 PolarHBondContact O-N 3.4Å; E60-L62 VanDerWaalsContact C-N 3.31Å; E60-L62 PolarHBondContact O-N 2.78Å; L62-I64 HydrophobicContact CB-CG2 4.36Å; L62-I64 PolarHBondContact O-N 3.03Å; L62-W65 VanDerWaalsContact O-CB 3.24Å; L62-W65 WeakPolarHBondContact O-CB 3.42Å; L62-W65 PolarHBondContact O-N 3.14Å; L62-Q94 HydrophobicContact CD1-CG 4.17Å |
| 63 | P | 97.9 | Very high | 97.6 | Very high | 81 Ų | 81 | 83.6 Ų | 83.6 | 53% | 0.526 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -54 | -35.6 | -178.3 | -26.7 | 32.3 | 0 | 0 | 0 | 114.1 | W65 C89 | P63-W65 PolarHBondContact O-N 3.11Å; P63-C89 HydrophobicContact CB-CB 4.13Å; P63-C89 HydrophobicContact CG-CB 4.21Å |
| 64 | I | 98.1 | Very high | 97.6 | Very high | 10 Ų | 10 | 83.6 Ų | 83.6 | 5% | 0.051 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -66 | -23.2 | 179.7 | -159.6 | 172.5 | 0 | 0 | 0 | 113.4 | L62 K66 E67 C89 K91 Q94 V95 W98 | L62-I64 HydrophobicContact CB-CG2 4.36Å; L62-I64 PolarHBondContact O-N 3.03Å; I64-K66 PolarHBondContact O-N 3.18Å; I64-K66 VanDerWaalsContact O-N 3.16Å; I64-E67 WeakPolarHBondContact O-CA 3.29Å; I64-E67 WeakPolarHBondContact O-CB 3.3Å; I64-E67 PolarHBondContact O-N 3.22Å; I64-C89 WeakPolarHBondContact CB-O 3.31Å; I64-C89 WeakPolarHBondContact CG2-O 3.16Å; I64-C89 PolarHBondContact N-O 3.34Å; I64-C89 VanDerWaalsContact N-O 3.14Å; I64-K91 VanDerWaalsContact CD1-CA 3.42Å; I64-K91 HydrophobicContact CD1-CB 4.06Å; I64-K91 HydrophobicContact CD1-CG 3.57Å; I64-Q94 HydrophobicContact CG2-CB 3.86Å; I64-Q94 HydrophobicContact CG2-CG 3.67Å; I64-V95 HydrophobicContact CD1-CG2 3.67Å; I64-W98 HydrophobicContact CD1-CH2 4.36Å; I64-W98 HydrophobicContact CD1-CZ3 4.44Å; I64-W98 HydrophobicContact CG1-CH2 3.9Å; I64-W98 HydrophobicContact CG1-CZ3 4.3Å; I64-W98 HydrophobicContact CG2-CH2 4.27Å; I64-W98 WeakPolarHBondContact O-CH2 3.42Å |
| 65 | W | 98 | Very high | 97.5 | Very high | 55 Ų | 55 | 79.5 Ų | 79.5 | 21% | 0.208 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -56.5 | -37.2 | -175.7 | -170.9 | -94.9 | 0 | 0 | 0 | 112.4 | L56 R59 E60 L62 P63 E67 K68 | L56-W65 HydrophobicContact CD1-CH2 3.67Å; L56-W65 HydrophobicContact CD1-CZ2 4.43Å; L56-W65 HydrophobicContact CD1-CZ3 4.39Å; R59-W65 HydrophobicContact CB-CE3 4.1Å; R59-W65 HydrophobicContact CB-CZ3 3.9Å; E60-W65 HydrophobicContact CB-CD2 4.35Å; E60-W65 HydrophobicContact CG-CD2 4.02Å; E60-W65 VanDerWaalsContact CG-CE2 3.45Å; E60-W65 HydrophobicContact CG-CE3 4.48Å; E60-W65 HydrophobicContact CG-CH2 3.99Å; E60-W65 HydrophobicContact CG-CZ2 3.45Å; E60-W65 VanDerWaalsContact CG-CZ2 3.45Å; E60-W65 HydrophobicContact CG-CZ3 4.48Å; E60-W65 WeakPolarHBondContact O-CB 3.16Å; L62-W65 VanDerWaalsContact O-CB 3.24Å; L62-W65 WeakPolarHBondContact O-CB 3.42Å; L62-W65 PolarHBondContact O-N 3.14Å; P63-W65 PolarHBondContact O-N 3.11Å; W65-E67 PolarHBondContact O-N 3.09Å; W65-K68 WeakPolarHBondContact O-CB 3.4Å; W65-K68 PolarHBondContact O-N 3.02Å; W65-K68 VanDerWaalsContact O-N 3.14Å |
| 66 | K | 97.2 | Very high | 97.3 | Very high | 176 Ų | 176 | 81.5 Ų | 81.5 | 77% | 0.765 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -62.2 | -24.3 | 177 | -60.7 | 178.2 | -176.4 | 177.9 | 0 | 113.1 | I64 | I64-K66 PolarHBondContact O-N 3.18Å; I64-K66 VanDerWaalsContact O-N 3.16Å |
| 67 | E | 97.4 | Very high | 97.3 | Very high | 104 Ų | 104 | 87.4 Ų | 87.4 | 49% | 0.486 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -89.6 | -3.1 | -178.7 | -54.8 | -56.5 | 141.7 | 0 | 0 | 112.9 | I64 W65 Y69 S70 F71 | I64-E67 WeakPolarHBondContact O-CA 3.29Å; I64-E67 WeakPolarHBondContact O-CB 3.3Å; I64-E67 PolarHBondContact O-N 3.22Å; W65-E67 PolarHBondContact O-N 3.09Å; E67-Y69 PolarHBondContact O-N 3.34Å; E67-S70 PolarHBondContact O-N 2.93Å; E67-F71 VanDerWaalsContact O-CB 3.31Å; E67-F71 WeakPolarHBondContact O-CB 3.39Å; E67-F71 PolarHBondContact O-N 3.43Å |
| 68 | K | 97.2 | Very high | 97.3 | Very high | 50 Ų | 50 | 84.3 Ų | 84.3 | 22% | 0.217 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -53 | -51.4 | -175.4 | -174.9 | 174.5 | -174 | 172.9 | 0 | 111.9 | W65 F71 M72 W98 E101 | W65-K68 WeakPolarHBondContact O-CB 3.4Å; W65-K68 PolarHBondContact O-N 3.02Å; W65-K68 VanDerWaalsContact O-N 3.14Å; K68-F71 PolarHBondContact O-N 3.05Å; K68-M72 VanDerWaalsContact O-CG 3.3Å; K68-M72 WeakPolarHBondContact O-CG 3.46Å; K68-M72 PolarHBondContact O-N 2.92Å; K68-W98 HydrophobicContact CB-CD2 4.39Å; K68-W98 HydrophobicContact CB-CE3 4.47Å; K68-W98 HydrophobicContact CB-CH2 3.76Å; K68-W98 HydrophobicContact CB-CZ2 3.69Å; K68-W98 HydrophobicContact CB-CZ3 4.17Å; K68-W98 HydrophobicContact CD-CD2 4.19Å; K68-W98 HydrophobicContact CD-CG 4.26Å; K68-W98 HydrophobicContact CD-CZ2 4.2Å; K68-W98 HydrophobicContact CG-CD2 3.81Å; K68-W98 HydrophobicContact CG-CE3 4.19Å; K68-W98 HydrophobicContact CG-CG 4.21Å; K68-W98 HydrophobicContact CG-CH2 4.26Å; K68-W98 HydrophobicContact CG-CZ2 3.93Å; K68-W98 HydrophobicContact CG-CZ3 4.4Å; K68-E101 IonicContact NZ-OE2 2.96Å; K68-E101 PolarHBondContact NZ-OE2 3.22Å |
| 69 | Y | 96.9 | Very high | 97.2 | Very high | 176 Ų | 176 | 88.9 Ų | 88.9 | 69% | 0.69 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.2 | -48.7 | -178 | -68.2 | -71.6 | 0 | 0 | 0 | 112.4 | E67 F71 M72 E73 | E67-Y69 PolarHBondContact O-N 3.34Å; Y69-F71 VanDerWaalsContact C-N 3.3Å; Y69-F71 PolarHBondContact O-N 2.74Å; Y69-M72 PolarHBondContact O-N 3.43Å; Y69-M72 VanDerWaalsContact O-N 3.15Å; Y69-E73 PolarHBondContact O-N 3.32Å |
| 70 | S | 97.6 | Very high | 97.2 | Very high | 55 Ų | 55 | 92.1 Ų | 92.1 | 39% | 0.385 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -57.9 | -43.5 | 176.7 | 177 | 0 | 0 | 0 | 0 | 111.6 | E67 E73 N74 | E67-S70 PolarHBondContact O-N 2.93Å; S70-E73 PolarHBondContact O-N 3.03Å; S70-N74 WeakPolarHBondContact O-CB 3.24Å; S70-N74 PolarHBondContact O-N 3.36Å; S70-N74 PolarHBondContact O-ND2 3.25Å |
| 71 | F | 97.8 | Very high | 97.1 | Very high | 20 Ų | 20 | 90.8 Ų | 90.8 | 9% | 0.088 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -60 | -47.4 | 175.3 | 171.1 | -98.1 | 0 | 0 | 0 | 111.9 | E67 K68 Y69 N74 L75 V81 V83 V95 W98 | E67-F71 VanDerWaalsContact O-CB 3.31Å; E67-F71 WeakPolarHBondContact O-CB 3.39Å; E67-F71 PolarHBondContact O-N 3.43Å; K68-F71 PolarHBondContact O-N 3.05Å; Y69-F71 VanDerWaalsContact C-N 3.3Å; Y69-F71 PolarHBondContact O-N 2.74Å; F71-N74 PolarHBondContact O-N 2.92Å; F71-L75 HydrophobicContact CE1-CD2 4.01Å; F71-L75 HydrophobicContact CZ-CD2 4.18Å; F71-L75 WeakPolarHBondContact O-CB 3.48Å; F71-L75 PolarHBondContact O-N 3.14Å; F71-V81 HydrophobicContact CD2-CG1 4.08Å; F71-V81 HydrophobicContact CE2-CB 4.48Å; F71-V81 HydrophobicContact CE2-CG1 4.07Å; F71-V83 HydrophobicContact CD2-CG2 3.76Å; F71-V83 HydrophobicContact CE2-CG2 3.71Å; F71-V95 HydrophobicContact CE1-CG1 4.24Å; F71-V95 HydrophobicContact CE2-CG1 3.92Å; F71-V95 HydrophobicContact CZ-CG1 3.62Å; F71-W98 HydrophobicContact CB-CZ3 4.35Å; F71-W98 AromaticContact CD1-CE3 3.72Å; F71-W98 HydrophobicContact CD1-CE3 3.72Å; F71-W98 HydrophobicContact CD1-CZ3 4.24Å; F71-W98 HydrophobicContact CE1-CE3 4.23Å; F71-W98 HydrophobicContact CG-CE3 4.3Å; F71-W98 HydrophobicContact CG-CZ3 4.37Å |
| 72 | M | 96.9 | Very high | 97.1 | Very high | 34 Ų | 34 | 91.7 Ų | 91.7 | 17% | 0.167 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -64.1 | -42.2 | -179.8 | -69.2 | -51.4 | -61.2 | 0 | 0 | 112.3 | K68 Y69 N74 L75 L76 W98 Y102 | K68-M72 VanDerWaalsContact O-CG 3.3Å; K68-M72 WeakPolarHBondContact O-CG 3.46Å; K68-M72 PolarHBondContact O-N 2.92Å; Y69-M72 PolarHBondContact O-N 3.43Å; Y69-M72 VanDerWaalsContact O-N 3.15Å; M72-N74 PolarHBondContact O-N 2.87Å; M72-L75 HydrophobicContact CE-CD2 4.27Å; M72-L75 PolarHBondContact O-N 3.33Å; M72-L75 HydrophobicContact SD-CD2 4.33Å; M72-L76 VanDerWaalsContact O-CG 3.31Å; M72-L76 WeakPolarHBondContact O-CG 3.35Å; M72-L76 PolarHBondContact O-N 2.96Å; M72-W98 HydrophobicContact SD-CB 4.31Å; M72-Y102 HydrophobicContact CE-CD1 4.41Å; M72-Y102 HydrophobicContact CE-CD2 3.43Å; M72-Y102 VanDerWaalsContact CE-CD2 3.43Å; M72-Y102 HydrophobicContact CE-CE2 4.25Å; M72-Y102 HydrophobicContact CE-CG 3.53Å |
| 73 | E | 97.4 | Very high | 97 | Very high | 132 Ų | 132 | 92.3 Ų | 92.3 | 62% | 0.617 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -59.8 | -47.1 | 174.6 | -73.2 | 178.7 | 179.1 | 0 | 0 | 111.5 | Y69 S70 L75 L76 Q77 | Y69-E73 PolarHBondContact O-N 3.32Å; S70-E73 PolarHBondContact O-N 3.03Å; E73-L75 VanDerWaalsContact C-N 3.3Å; E73-L75 PolarHBondContact O-N 2.94Å; E73-L76 PolarHBondContact O-N 3.16Å; E73-Q77 WeakPolarHBondContact O-CG 3.27Å; E73-Q77 PolarHBondContact O-N 2.91Å |
| 74 | N | 97.8 | Very high | 97 | Very high | 72 Ų | 72 | 93.5 Ų | 93.5 | 39% | 0.385 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.6 | -38.6 | 176.6 | -79.8 | -73.9 | 0 | 0 | 0 | 111.9 | S70 F71 M72 L76 Q77 N78 V81 | S70-N74 WeakPolarHBondContact O-CB 3.24Å; S70-N74 PolarHBondContact O-N 3.36Å; S70-N74 PolarHBondContact O-ND2 3.25Å; F71-N74 PolarHBondContact O-N 2.92Å; M72-N74 PolarHBondContact O-N 2.87Å; N74-L76 VanDerWaalsContact C-N 3.32Å; N74-L76 PolarHBondContact O-N 3.29Å; N74-Q77 PolarHBondContact O-N 2.87Å; N74-N78 VanDerWaalsContact O-CB 3.3Å; N74-N78 WeakPolarHBondContact O-CB 3.33Å; N74-N78 PolarHBondContact O-N 3.06Å; N74-N78 PolarHBondContact O-ND2 3.2Å; N74-V81 HydrophobicContact CB-CG1 4.34Å; N74-V81 HydrophobicContact CB-CG2 4.13Å |
| 75 | L | 95.4 | Very high | 96.8 | Very high | 51 Ų | 51 | 95.1 Ų | 95.1 | 27% | 0.267 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.2 | -35.1 | 177.5 | -176.9 | 63.5 | 0 | 0 | 0 | 112.2 | F71 M72 E73 V81 Y102 | F71-L75 HydrophobicContact CE1-CD2 4.01Å; F71-L75 HydrophobicContact CZ-CD2 4.18Å; F71-L75 WeakPolarHBondContact O-CB 3.48Å; F71-L75 PolarHBondContact O-N 3.14Å; M72-L75 HydrophobicContact CE-CD2 4.27Å; M72-L75 PolarHBondContact O-N 3.33Å; M72-L75 HydrophobicContact SD-CD2 4.33Å; E73-L75 VanDerWaalsContact C-N 3.3Å; E73-L75 PolarHBondContact O-N 2.94Å; L75-V81 HydrophobicContact CB-CG2 4.43Å; L75-V81 HydrophobicContact CD1-CG2 4.45Å; L75-Y102 HydrophobicContact CD2-CD1 4.48Å |
| 76 | L | 94.1 | Very high | 96.8 | Very high | 95 Ų | 95 | 99 Ų | 99 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.1 | -29.7 | 177.7 | -71.1 | 173.1 | 0 | 0 | 0 | 113.3 | M72 E73 N74 Y102 | M72-L76 VanDerWaalsContact O-CG 3.31Å; M72-L76 WeakPolarHBondContact O-CG 3.35Å; M72-L76 PolarHBondContact O-N 2.96Å; E73-L76 PolarHBondContact O-N 3.16Å; N74-L76 VanDerWaalsContact C-N 3.32Å; N74-L76 PolarHBondContact O-N 3.29Å; L76-Y102 HydrophobicContact CD2-CE2 3.68Å; L76-Y102 WeakPolarHBondContact CD2-OH 3.48Å |
| 77 | Q | 97 | Very high | 96.7 | Very high | 157 Ų | 157 | 95 Ų | 95 | 73% | 0.734 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -96.9 | -16.3 | -175.7 | -60.8 | -54.6 | -59.1 | 0 | 0 | 113.7 | E73 N74 | E73-Q77 WeakPolarHBondContact O-CG 3.27Å; E73-Q77 PolarHBondContact O-N 2.91Å; N74-Q77 PolarHBondContact O-N 2.87Å |
| 78 | N | 97.4 | Very high | 96.6 | Very high | 78 Ų | 78 | 99.6 Ų | 99.6 | 42% | 0.417 | 53% | 0.527 | S | S | . | . | trans | -130.4 | 141 | -171.7 | -56 | -79.3 | 0 | 0 | 0 | 111.6 | N74 I80 V81 | N74-N78 VanDerWaalsContact O-CB 3.3Å; N74-N78 WeakPolarHBondContact O-CB 3.33Å; N74-N78 PolarHBondContact O-N 3.06Å; N74-N78 PolarHBondContact O-ND2 3.2Å; N78-I80 VanDerWaalsContact C-N 3.28Å; N78-I80 PolarHBondContact O-N 2.81Å; N78-V81 HydrophobicContact CB-CG2 4.36Å | ||
| 79 | Q | 96.1 | Very high | 96.6 | Very high | 194 Ų | 194 | 98.1 Ų | 98.1 | 91% | 0.907 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -68.2 | -29.1 | 173.7 | -172.2 | 178 | 42.3 | 0 | 0 | 112.5 | ||
| 80 | I | 96.8 | Very high | 96.7 | Very high | 133 Ų | 133 | 90.3 Ų | 90.3 | 68% | 0.682 | 50% | 0.496 | S | S | * | . | trans | -133 | 128.9 | -177.1 | -56.8 | 176.7 | 0 | 0 | 0 | 108.9 | N78 | N78-I80 VanDerWaalsContact C-N 3.28Å; N78-I80 PolarHBondContact O-N 2.81Å | ||
| 81 | V | 97.3 | Very high | 96.7 | Very high | 46 Ų | 46 | 90 Ų | 90 | 28% | 0.279 | 49% | 0.488 | S | S | . | . | trans | -122.7 | 127.4 | 174.3 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | F71 N74 L75 N78 V83 | F71-V81 HydrophobicContact CD2-CG1 4.08Å; F71-V81 HydrophobicContact CE2-CB 4.48Å; F71-V81 HydrophobicContact CE2-CG1 4.07Å; N74-V81 HydrophobicContact CB-CG1 4.34Å; N74-V81 HydrophobicContact CB-CG2 4.13Å; L75-V81 HydrophobicContact CB-CG2 4.43Å; L75-V81 HydrophobicContact CD1-CG2 4.45Å; N78-V81 HydrophobicContact CB-CG2 4.36Å; V81-V83 HydrophobicContact CG1-CG2 4.25Å | ||
| 82 | I | 96.9 | Very high | 96.7 | Very high | 157 Ų | 157 | 94.6 Ų | 94.6 | 81% | 0.805 | 52% | 0.522 | S | S | * | . | trans | -99.3 | 121.3 | 176.3 | -59.2 | 175.9 | 0 | 0 | 0 | 108.3 | ||||
| 83 | V | 96.6 | Very high | 96.7 | Very high | 62 Ų | 62 | 96 Ų | 96 | 38% | 0.376 | 54% | 0.539 | S | S | . | . | trans | -108.3 | 117.3 | 178.3 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | F71 V81 K91 V95 | F71-V83 HydrophobicContact CD2-CG2 3.76Å; F71-V83 HydrophobicContact CE2-CG2 3.71Å; V81-V83 HydrophobicContact CG1-CG2 4.25Å; V83-K91 HydrophobicContact CG1-CD 4.07Å; V83-K91 HydrophobicContact CG1-CG 4.1Å; V83-V95 HydrophobicContact CG1-CG2 4.4Å | ||
| 84 | S | 96.3 | Very high | 96.7 | Very high | 107 Ų | 107 | 90 Ų | 90 | 75% | 0.748 | 51% | 0.511 | S | S | * | . | trans | -115.2 | 151.4 | 175.8 | 60.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 85 | G | 95.1 | Very high | 96.8 | Very high | 43 Ų | 43 | 87.9 Ų | 87.9 | 44% | 0.443 | 50% | 0.5 | S | S | . | . | trans | 168.8 | 171.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | K91 | G85-K91 VanDerWaalsContact C-NZ 3.25Å; G85-K91 VanDerWaalsContact O-CE 3.22Å; G85-K91 WeakPolarHBondContact O-CE 3.41Å; G85-K91 PolarHBondContact O-NZ 3.09Å | ||
| 86 | D | 97.1 | Very high | 96.9 | Very high | 137 Ų | 137 | 89 Ų | 89 | 73% | 0.733 | 51% | 0.511 | S | S | * | . | trans | -67.6 | 164.1 | -174.6 | -64.5 | -25.9 | 0 | 0 | 0 | 113.9 | C89 K91 | D86-C89 PolarHBondContact O-N 3.05Å; D86-C89 PolarHBondContact O-SG 2.98Å; D86-K91 PolarHBondContact O-NZ 3.09Å | ||
| 87 | A | 96.1 | Very high | 97 | Very high | 91 Ų | 91 | 87.3 Ų | 87.3 | 75% | 0.752 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 149.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | C89 | A87-C89 PolarHBondContact O-N 3.05Å; A87-C89 VanDerWaalsContact O-N 3.11Å |
| 88 | K | 95.3 | Very high | 97 | Very high | 202 Ų | 202 | 80 Ų | 80 | 88% | 0.878 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 4 | 178.4 | -51.2 | 178.1 | 179.5 | 178.4 | 0 | 116.4 | G90 | K88-G90 PolarHBondContact O-N 3.37Š|
| 89 | C | 97.1 | Very high | 96.9 | Very high | 18 Ų | 18 | 78.2 Ų | 78.2 | 12% | 0.122 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -73.1 | -6.4 | 176.4 | 73.1 | 0 | 0 | 0 | 0 | 114.7 | P63 I64 D86 A87 K91 | P63-C89 HydrophobicContact CB-CB 4.13Å; P63-C89 HydrophobicContact CG-CB 4.21Å; I64-C89 WeakPolarHBondContact CB-O 3.31Å; I64-C89 WeakPolarHBondContact CG2-O 3.16Å; I64-C89 PolarHBondContact N-O 3.34Å; I64-C89 VanDerWaalsContact N-O 3.14Å; D86-C89 PolarHBondContact O-N 3.05Å; D86-C89 PolarHBondContact O-SG 2.98Å; A87-C89 PolarHBondContact O-N 3.05Å; A87-C89 VanDerWaalsContact O-N 3.11Å; C89-K91 VanDerWaalsContact SG-CG 3.59Å; C89-K91 PolarHBondContact SG-NZ 3.09Å |
| 90 | G | 97.8 | Very high | 96.8 | Very high | 13 Ų | 13 | 70.7 Ų | 70.7 | 13% | 0.134 | 43% | 0.431 | C | S | . | . | S | Bend | trans | 105.3 | -4.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | K88 S92 A93 Q94 | K88-G90 PolarHBondContact O-N 3.37Å; G90-S92 PolarHBondContact O-N 3.05Å; G90-A93 PolarHBondContact O-N 3.44Å; G90-Q94 PolarHBondContact O-N 3.44Å |
| 91 | K | 97.9 | Very high | 96.6 | Very high | 48 Ų | 48 | 67 Ų | 67 | 21% | 0.209 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -42.3 | -62.4 | -177.1 | -72.4 | 178.1 | -46.1 | -65.4 | 0 | 114.9 | I64 V83 G85 D86 C89 A93 Q94 V95 | I64-K91 VanDerWaalsContact CD1-CA 3.42Å; I64-K91 HydrophobicContact CD1-CB 4.06Å; I64-K91 HydrophobicContact CD1-CG 3.57Å; V83-K91 HydrophobicContact CG1-CD 4.07Å; V83-K91 HydrophobicContact CG1-CG 4.1Å; G85-K91 VanDerWaalsContact C-NZ 3.25Å; G85-K91 VanDerWaalsContact O-CE 3.22Å; G85-K91 WeakPolarHBondContact O-CE 3.41Å; G85-K91 PolarHBondContact O-NZ 3.09Å; D86-K91 PolarHBondContact O-NZ 3.09Å; C89-K91 VanDerWaalsContact SG-CG 3.59Å; C89-K91 PolarHBondContact SG-NZ 3.09Å; K91-A93 PolarHBondContact O-N 2.79Å; K91-A93 VanDerWaalsContact O-N 3.14Å; K91-Q94 PolarHBondContact O-N 3.32Å; K91-V95 WeakPolarHBondContact O-CB 3.4Å; K91-V95 WeakPolarHBondContact O-CG2 3.34Å; K91-V95 PolarHBondContact O-N 3.38Å; K91-V95 VanDerWaalsContact O-N 3.11Å |
| 92 | S | 97.8 | Very high | 96.3 | Very high | 116 Ų | 116 | 68.1 Ų | 68.1 | 81% | 0.811 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -66.8 | -16.7 | -173.5 | -51.4 | 0 | 0 | 0 | 0 | 114 | G90 | G90-S92 PolarHBondContact O-N 3.05Å |
| 93 | A | 97.6 | Very high | 96 | Very high | 63 Ų | 63 | 63.3 Ų | 63.3 | 52% | 0.521 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -97.6 | -42.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G90 K91 | G90-A93 PolarHBondContact O-N 3.44Å; K91-A93 PolarHBondContact O-N 2.79Å; K91-A93 VanDerWaalsContact O-N 3.14Å |
| 94 | Q | 98.1 | Very high | 95.5 | Very high | 7 Ų | 7 | 63.3 Ų | 63.3 | 3% | 0.033 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -86.4 | -42 | -171.8 | -61.7 | -53.7 | -63.9 | 0 | 0 | 113.1 | L62 I64 G90 K91 Q97 W98 | L62-Q94 HydrophobicContact CD1-CG 4.17Å; I64-Q94 HydrophobicContact CG2-CB 3.86Å; I64-Q94 HydrophobicContact CG2-CG 3.67Å; G90-Q94 PolarHBondContact O-N 3.44Å; K91-Q94 PolarHBondContact O-N 3.32Å; Q94-Q97 WeakPolarHBondContact O-CB 3.47Å; Q94-Q97 PolarHBondContact O-N 3.06Å; Q94-W98 HydrophobicContact CB-CD2 4.45Å; Q94-W98 HydrophobicContact CB-CH2 4.16Å; Q94-W98 HydrophobicContact CB-CZ2 3.68Å; Q94-W98 HydrophobicContact CG-CZ2 4.39Å; Q94-W98 VanDerWaalsContact O-CG 3.26Å; Q94-W98 PolarHBondContact O-N 3.31Å |
| 95 | V | 98.1 | Very high | 95 | Very high | 27 Ų | 27 | 62.1 Ų | 62.1 | 16% | 0.164 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.9 | -48.3 | -175.6 | 176.7 | 0 | 0 | 0 | 0 | 111.9 | I64 F71 V83 K91 Q97 W98 C99 | I64-V95 HydrophobicContact CD1-CG2 3.67Å; F71-V95 HydrophobicContact CE1-CG1 4.24Å; F71-V95 HydrophobicContact CE2-CG1 3.92Å; F71-V95 HydrophobicContact CZ-CG1 3.62Å; V83-V95 HydrophobicContact CG1-CG2 4.4Å; K91-V95 WeakPolarHBondContact O-CB 3.4Å; K91-V95 WeakPolarHBondContact O-CG2 3.34Å; K91-V95 PolarHBondContact O-N 3.38Å; K91-V95 VanDerWaalsContact O-N 3.11Å; V95-Q97 VanDerWaalsContact C-N 3.3Å; V95-Q97 PolarHBondContact O-N 3.32Å; V95-W98 HydrophobicContact CG2-CE3 4.43Å; V95-W98 HydrophobicContact CG2-CZ3 4.31Å; V95-W98 PolarHBondContact O-N 3Å; V95-C99 PolarHBondContact O-N 3.31Å; V95-C99 VanDerWaalsContact O-N 3.11Å; V95-C99 PolarHBondContact O-SG 3.27Å |
| 96 | P | 97.7 | Very high | 94.3 | Very high | 75 Ų | 75 | 64.3 Ų | 64.3 | 49% | 0.487 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.4 | -35.7 | 177.2 | -22.9 | 35.4 | 0 | 0 | 0 | 113.3 | C99 A100 | P96-C99 PolarHBondContact O-N 2.97Å; P96-A100 PolarHBondContact O-N 3.47Å |
| 97 | Q | 96.8 | Very high | 92.7 | Very high | 60 Ų | 60 | 64.2 Ų | 64.2 | 28% | 0.28 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 178.2 | 177.5 | 65.1 | 29.8 | 0 | 0 | 111.2 | Q94 V95 C99 A100 E101 | Q94-Q97 WeakPolarHBondContact O-CB 3.47Å; Q94-Q97 PolarHBondContact O-N 3.06Å; V95-Q97 VanDerWaalsContact C-N 3.3Å; V95-Q97 PolarHBondContact O-N 3.32Å; Q97-C99 VanDerWaalsContact C-N 3.33Å; Q97-C99 PolarHBondContact O-N 3.03Å; Q97-A100 PolarHBondContact O-N 3.42Å; Q97-E101 WeakPolarHBondContact CG-OE1 3.47Å; Q97-E101 PolarHBondContact NE2-OE1 3.14Å; Q97-E101 WeakPolarHBondContact O-CG 3.46Å; Q97-E101 PolarHBondContact O-N 2.78Å |
| 98 | W | 96.9 | Very high | 90.7 | Very high | 3 Ų | 3 | 68.8 Ų | 68.8 | 1% | 0.011 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.2 | -38.5 | 176.8 | -56.6 | -23.2 | 0 | 0 | 0 | 112.2 | I64 K68 F71 M72 Q94 V95 A100 E101 Y102 | I64-W98 HydrophobicContact CD1-CH2 4.36Å; I64-W98 HydrophobicContact CD1-CZ3 4.44Å; I64-W98 HydrophobicContact CG1-CH2 3.9Å; I64-W98 HydrophobicContact CG1-CZ3 4.3Å; I64-W98 HydrophobicContact CG2-CH2 4.27Å; I64-W98 WeakPolarHBondContact O-CH2 3.42Å; K68-W98 HydrophobicContact CB-CD2 4.39Å; K68-W98 HydrophobicContact CB-CE3 4.47Å; K68-W98 HydrophobicContact CB-CH2 3.76Å; K68-W98 HydrophobicContact CB-CZ2 3.69Å; K68-W98 HydrophobicContact CB-CZ3 4.17Å; K68-W98 HydrophobicContact CD-CD2 4.19Å; K68-W98 HydrophobicContact CD-CG 4.26Å; K68-W98 HydrophobicContact CD-CZ2 4.2Å; K68-W98 HydrophobicContact CG-CD2 3.81Å; K68-W98 HydrophobicContact CG-CE3 4.19Å; K68-W98 HydrophobicContact CG-CG 4.21Å; K68-W98 HydrophobicContact CG-CH2 4.26Å; K68-W98 HydrophobicContact CG-CZ2 3.93Å; K68-W98 HydrophobicContact CG-CZ3 4.4Å; F71-W98 HydrophobicContact CB-CZ3 4.35Å; F71-W98 AromaticContact CD1-CE3 3.72Å; F71-W98 HydrophobicContact CD1-CE3 3.72Å; F71-W98 HydrophobicContact CD1-CZ3 4.24Å; F71-W98 HydrophobicContact CE1-CE3 4.23Å; F71-W98 HydrophobicContact CG-CE3 4.3Å; F71-W98 HydrophobicContact CG-CZ3 4.37Å; M72-W98 HydrophobicContact SD-CB 4.31Å; Q94-W98 HydrophobicContact CB-CD2 4.45Å; Q94-W98 HydrophobicContact CB-CH2 4.16Å; Q94-W98 HydrophobicContact CB-CZ2 3.68Å; Q94-W98 HydrophobicContact CG-CZ2 4.39Å; Q94-W98 VanDerWaalsContact O-CG 3.26Å; Q94-W98 PolarHBondContact O-N 3.31Å; V95-W98 HydrophobicContact CG2-CE3 4.43Å; V95-W98 HydrophobicContact CG2-CZ3 4.31Å; V95-W98 PolarHBondContact O-N 3Å; W98-A100 VanDerWaalsContact C-N 3.33Å; W98-A100 PolarHBondContact O-N 3.47Å; W98-E101 PolarHBondContact O-N 3.29Å; W98-Y102 VanDerWaalsContact O-CB 3.29Å; W98-Y102 WeakPolarHBondContact O-CB 3.31Å; W98-Y102 PolarHBondContact O-N 2.91Å |
| 99 | C | 95.4 | Very high | 88.3 | Confident | 41 Ų | 41 | 66.3 Ų | 66.3 | 28% | 0.277 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 173.2 | -65.5 | 0 | 0 | 0 | 0 | 111.5 | V95 P96 Q97 Y102 C103 | V95-C99 PolarHBondContact O-N 3.31Å; V95-C99 VanDerWaalsContact O-N 3.11Å; V95-C99 PolarHBondContact O-SG 3.27Å; P96-C99 PolarHBondContact O-N 2.97Å; Q97-C99 VanDerWaalsContact C-N 3.33Å; Q97-C99 PolarHBondContact O-N 3.03Å; C99-Y102 PolarHBondContact O-N 3.38Å; C99-C103 WeakPolarHBondContact O-CB 3.26Å; C99-C103 PolarHBondContact O-N 3.48Å; C99-C103 PolarHBondContact O-SG 3.41Å |
| 100 | A | 93.8 | Very high | 85.8 | Confident | 36 Ų | 36 | 73.6 Ų | 73.6 | 30% | 0.298 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64 | -46.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F43 P96 Q97 W98 Y102 C103 L104 | F43-A100 HydrophobicContact CZ-CB 4.18Å; P96-A100 PolarHBondContact O-N 3.47Å; Q97-A100 PolarHBondContact O-N 3.42Å; W98-A100 VanDerWaalsContact C-N 3.33Å; W98-A100 PolarHBondContact O-N 3.47Å; A100-Y102 VanDerWaalsContact C-N 3.31Å; A100-Y102 PolarHBondContact O-N 3.02Å; A100-C103 PolarHBondContact O-N 3.33Å; A100-L104 PolarHBondContact O-N 3.21Å |
| 101 | E | 92.4 | Very high | 83.2 | Confident | 55 Ų | 55 | 76 Ų | 76 | 26% | 0.257 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -56.7 | -44.8 | 174 | -74.5 | 166.4 | -164.4 | 0 | 0 | 111.5 | K68 Q97 W98 L104 S105 | K68-E101 IonicContact NZ-OE2 2.96Å; K68-E101 PolarHBondContact NZ-OE2 3.22Å; Q97-E101 WeakPolarHBondContact CG-OE1 3.47Å; Q97-E101 PolarHBondContact NE2-OE1 3.14Å; Q97-E101 WeakPolarHBondContact O-CG 3.46Å; Q97-E101 PolarHBondContact O-N 2.78Å; W98-E101 PolarHBondContact O-N 3.29Å; E101-L104 PolarHBondContact O-N 3.26Å; E101-S105 WeakPolarHBondContact O-CB 3.48Å; E101-S105 PolarHBondContact O-N 2.66Å |
| 102 | Y | 91.8 | Very high | 80.3 | Confident | 69 Ų | 69 | 80.9 Ų | 80.9 | 27% | 0.271 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.7 | -50.4 | 177.8 | 175.9 | -108.9 | 0 | 0 | 0 | 111.9 | M72 L75 L76 W98 C99 A100 L104 S105 I106 | M72-Y102 HydrophobicContact CE-CD1 4.41Å; M72-Y102 HydrophobicContact CE-CD2 3.43Å; M72-Y102 VanDerWaalsContact CE-CD2 3.43Å; M72-Y102 HydrophobicContact CE-CE2 4.25Å; M72-Y102 HydrophobicContact CE-CG 3.53Å; L75-Y102 HydrophobicContact CD2-CD1 4.48Å; L76-Y102 HydrophobicContact CD2-CE2 3.68Å; L76-Y102 WeakPolarHBondContact CD2-OH 3.48Å; W98-Y102 VanDerWaalsContact O-CB 3.29Å; W98-Y102 WeakPolarHBondContact O-CB 3.31Å; W98-Y102 PolarHBondContact O-N 2.91Å; C99-Y102 PolarHBondContact O-N 3.38Å; A100-Y102 VanDerWaalsContact C-N 3.31Å; A100-Y102 PolarHBondContact O-N 3.02Å; Y102-L104 PolarHBondContact O-N 3.4Å; Y102-S105 PolarHBondContact O-N 3.21Å; Y102-S105 PolarHBondContact O-OG 3.46Å; Y102-I106 HydrophobicContact CD1-CD1 4.37Å; Y102-I106 HydrophobicContact CD2-CG2 4Å; Y102-I106 HydrophobicContact CE1-CD1 3.91Å; Y102-I106 HydrophobicContact CE1-CG2 4.17Å; Y102-I106 HydrophobicContact CE2-CG2 3.45Å; Y102-I106 VanDerWaalsContact CE2-CG2 3.45Å; Y102-I106 WeakPolarHBondContact O-CG1 3.49Å; Y102-I106 PolarHBondContact O-N 2.78Å |
| 103 | C | 89.8 | Confident | 79.4 | Confident | 56 Ų | 56 | 79.2 Ų | 79.2 | 38% | 0.378 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.2 | -34.1 | 177.7 | -72 | 0 | 0 | 0 | 0 | 113 | C99 A100 I106 | C99-C103 WeakPolarHBondContact O-CB 3.26Å; C99-C103 PolarHBondContact O-N 3.48Å; C99-C103 PolarHBondContact O-SG 3.41Å; A100-C103 PolarHBondContact O-N 3.33Å; C103-I106 WeakPolarHBondContact O-CG1 3.47Å |
| 104 | L | 87.1 | Confident | 78.4 | Confident | 62 Ų | 62 | 80 Ų | 80 | 33% | 0.325 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.5 | -46.4 | 171.3 | -74.6 | -176 | 0 | 0 | 0 | 112.3 | P42 F43 A100 E101 Y102 I106 H107 | P42-L104 HydrophobicContact CB-CD1 4.29Å; P42-L104 HydrophobicContact CG-CD1 4.15Å; F43-L104 HydrophobicContact CD1-CD1 3.52Å; F43-L104 HydrophobicContact CD1-CG 4.39Å; F43-L104 HydrophobicContact CD2-CD1 3.7Å; F43-L104 HydrophobicContact CE1-CD1 3.25Å; F43-L104 HydrophobicContact CE1-CD2 4.42Å; F43-L104 HydrophobicContact CE1-CG 3.92Å; F43-L104 HydrophobicContact CE2-CD1 3.46Å; F43-L104 VanDerWaalsContact CE2-CD1 3.46Å; F43-L104 HydrophobicContact CG-CD1 3.75Å; F43-L104 HydrophobicContact CZ-CD1 3.22Å; F43-L104 HydrophobicContact CZ-CG 4.11Å; A100-L104 PolarHBondContact O-N 3.21Å; E101-L104 PolarHBondContact O-N 3.26Å; Y102-L104 PolarHBondContact O-N 3.4Å; L104-I106 VanDerWaalsContact C-N 3.3Å; L104-I106 PolarHBondContact O-N 3.4Å; L104-H107 PolarHBondContact O-N 2.84Å; L104-H107 VanDerWaalsContact O-N 3.09Å |
| 105 | S | 84.8 | Confident | 77.4 | Confident | 83 Ų | 83 | 84.1 Ų | 84.1 | 58% | 0.58 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.2 | -35.7 | -175.5 | 72.4 | 0 | 0 | 0 | 0 | 113.3 | E101 Y102 H107 | E101-S105 WeakPolarHBondContact O-CB 3.48Å; E101-S105 PolarHBondContact O-N 2.66Å; Y102-S105 PolarHBondContact O-N 3.21Å; Y102-S105 PolarHBondContact O-OG 3.46Å; S105-H107 PolarHBondContact O-N 3.04Å |
| 106 | I | 80.7 | Confident | 76.1 | Confident | 89 Ų | 89 | 87.4 Ų | 87.4 | 46% | 0.456 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -2.7 | 179.7 | 63 | -178.6 | 0 | 0 | 0 | 113.2 | Y102 C103 L104 | Y102-I106 HydrophobicContact CD1-CD1 4.37Å; Y102-I106 HydrophobicContact CD2-CG2 4Å; Y102-I106 HydrophobicContact CE1-CD1 3.91Å; Y102-I106 HydrophobicContact CE1-CG2 4.17Å; Y102-I106 HydrophobicContact CE2-CG2 3.45Å; Y102-I106 VanDerWaalsContact CE2-CG2 3.45Å; Y102-I106 WeakPolarHBondContact O-CG1 3.49Å; Y102-I106 PolarHBondContact O-N 2.78Å; C103-I106 WeakPolarHBondContact O-CG1 3.47Å; L104-I106 VanDerWaalsContact C-N 3.3Å; L104-I106 PolarHBondContact O-N 3.4Å |
| 107 | H | 64.8 | Low | 74.8 | Confident | 134 Ų | 134 | 88.2 Ų | 88.2 | 62% | 0.62 | 51% | 0.512 | S | S | * | . | trans | 56.1 | 128.7 | -165.8 | -81.4 | 58.3 | 0 | 0 | 0 | 112 | L104 S105 Q109 | L104-H107 PolarHBondContact O-N 2.84Å; L104-H107 VanDerWaalsContact O-N 3.09Å; S105-H107 PolarHBondContact O-N 3.04Å; H107-Q109 HydrophobicContact CB-CG 3.56Å; H107-Q109 PolarHBondContact O-N 2.66Å | ||
| 108 | Y | 53.2 | Low | 73.3 | Confident | 188 Ų | 188 | 90.1 Ų | 90.1 | 74% | 0.737 | 53% | 0.528 | S | S | * | . | trans | -61.6 | 68.2 | 153.5 | -97.1 | -98.4 | 0 | 0 | 0 | 109.2 | H110 | Y108-H110 PolarHBondContact O-N 2.74Š| ||
| 109 | Q | 44.5 | Very low | 71.6 | Confident | 150 Ų | 150 | 96.3 Ų | 96.3 | 70% | 0.701 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -11.1 | 179.1 | -75.5 | -137.7 | -15.9 | 0 | 0 | 112.8 | H107 | H107-Q109 HydrophobicContact CB-CG 3.56Å; H107-Q109 PolarHBondContact O-N 2.66Å |
| 110 | H | 44.1 | Very low | 69.8 | Low | 170 Ų | 170 | 100.5 Ų | 100.5 | 79% | 0.787 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.5 | 64.4 | 178.2 | -60.4 | 82.1 | 0 | 0 | 0 | 110.1 | Y108 G112 | Y108-H110 PolarHBondContact O-N 2.74Å; H110-G112 PolarHBondContact O-N 3.44Å |
| 111 | G | 43.8 | Very low | 67.8 | Low | 65 Ų | 65 | 105.9 Ų | 105.9 | 67% | 0.67 | 61% | 0.611 | S | S | * | * | trans | -61.6 | 104.7 | 156 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 112 | G | 36.9 | Very low | 65.6 | Low | 150 Ų | 150 | 110.5 Ų | 110.5 | 100% | 1.546 | 64% | 0.643 | S | S | * | * | trans | -78.1 | 0 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | H110 | H110-G112 PolarHBondContact O-N 3.44Š|
Retrieved 112 of 112 residues in 19.1 ms
(Link to these results)