| 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 | Very low | 54.6 | Low | 246 Ų | 246 | 157.8 Ų | 157.8 | 100% | 1.212 | 86% | 0.864 | S | S | * | * | 0 | 111.6 | 0 | -84.5 | 171.3 | 157.2 | 0 | 0 | 106.2 | |||||
| 2 | A | 57.6 | Low | 53.8 | Low | 95 Ų | 95 | 157.3 Ų | 157.3 | 79% | 0.785 | 86% | 0.859 | S | S | * | * | trans | 20.3 | 115 | 171.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 3 | D | 51.7 | Low | 53.1 | Low | 157 Ų | 157 | 157.6 Ų | 157.6 | 84% | 0.84 | 86% | 0.86 | S | S | * | * | cis | 38 | 86.9 | 47.1 | -156.3 | 31.5 | 0 | 0 | 0 | 115.1 | ||||
| 4 | E | 62.4 | Low | 52.5 | Low | 191 Ų | 191 | 149.4 Ų | 149.4 | 89% | 0.893 | 83% | 0.829 | S | S | * | * | trans | -142.1 | 119.5 | 143.6 | -77.1 | -150.2 | 166.8 | 0 | 0 | 109.3 | ||||
| 5 | G | 46.3 | Very low | 52 | Low | 70 Ų | 70 | 150.7 Ų | 150.7 | 72% | 0.722 | 83% | 0.827 | S | S | * | * | trans | -73 | 142.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 6 | L | 57.8 | Low | 51.6 | Low | 172 Ų | 172 | 151.5 Ų | 151.5 | 90% | 0.901 | 83% | 0.827 | S | S | * | * | trans | -98.6 | 109.2 | 166.5 | -157.7 | 65.1 | 0 | 0 | 0 | 108.1 | ||||
| 7 | K | 59.8 | Low | 51.3 | Low | 196 Ų | 196 | 149.9 Ų | 149.9 | 85% | 0.852 | 82% | 0.818 | S | S | * | * | trans | -61.5 | 129.1 | 174 | -84.1 | 168.6 | 170.7 | 170.5 | 0 | 110.7 | ||||
| 8 | D | 55.3 | Low | 51.2 | Low | 156 Ų | 156 | 149.6 Ų | 149.6 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -63.8 | 132.3 | 162.8 | -64.4 | -52.4 | 0 | 0 | 0 | 110.6 | K10 | D8-K10 PolarHBondContact O-N 3.22Š| ||
| 9 | P | 62.1 | Low | 51 | Low | 121 Ų | 121 | 150.2 Ų | 150.2 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | trans | -83.2 | 115.7 | 171.2 | 31.7 | -26.9 | 0 | 0 | 0 | 109.4 | ||||
| 10 | K | 49.9 | Very low | 50.9 | Low | 195 Ų | 195 | 152.3 Ų | 152.3 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | trans | 13.6 | 110.6 | 148.2 | -67.8 | -174.4 | 172.9 | -174.2 | 0 | 116.4 | D8 N12 | D8-K10 PolarHBondContact O-N 3.22Å; K10-N12 PolarHBondContact O-N 3.11Å | ||
| 11 | V | 50.3 | Low | 50.7 | Low | 137 Ų | 137 | 151.5 Ų | 151.5 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | trans | -52.1 | 108.6 | 151.1 | 176.9 | 0 | 0 | 0 | 0 | 107.8 | D13 | V11-D13 PolarHBondContact O-N 2.87Š| ||
| 12 | N | 45.3 | Very low | 50.8 | Low | 151 Ų | 151 | 147 Ų | 147 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | -89.5 | 85.3 | 172.2 | -165.6 | 26.6 | 0 | 0 | 0 | 107.2 | K10 G14 | K10-N12 PolarHBondContact O-N 3.11Å; N12-G14 PolarHBondContact O-N 2.91Å | ||
| 13 | D | 44.3 | Very low | 50.7 | Low | 162 Ų | 162 | 150.3 Ų | 150.3 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | trans | -77.8 | 80.5 | 165.7 | -133.1 | 1 | 0 | 0 | 0 | 106.3 | V11 | V11-D13 PolarHBondContact O-N 2.87Š| ||
| 14 | G | 44.9 | Very low | 50.7 | Low | 42 Ų | 42 | 150.8 Ų | 150.8 | 43% | 0.433 | 78% | 0.781 | S | S | . | * | trans | -91.8 | 134 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | N12 | N12-G14 PolarHBondContact O-N 2.91Š| ||
| 15 | Q | 45.5 | Very low | 50.4 | Low | 169 Ų | 169 | 148.5 Ų | 148.5 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | 80.4 | 68.9 | 164.8 | -58.8 | 168.6 | -80.6 | 0 | 0 | 115.3 | ||||
| 16 | I | 45.7 | Very low | 50.8 | Low | 164 Ų | 164 | 156.4 Ų | 156.4 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | -82.7 | 99 | 133.1 | -61.5 | 171.9 | 0 | 0 | 0 | 103.8 | E18 | I16-E18 PolarHBondContact O-N 3.01Å; I16-E18 VanDerWaalsContact O-N 3.16Å | ||
| 17 | D | 47 | Very low | 51 | Low | 124 Ų | 124 | 156.1 Ų | 156.1 | 66% | 0.663 | 78% | 0.778 | S | S | * | * | trans | -59.9 | 117.5 | 173.8 | -92 | -34.5 | 0 | 0 | 0 | 108.5 | D19 | D17-D19 PolarHBondContact O-N 2.89Š| ||
| 18 | E | 49.2 | Very low | 50.9 | Low | 145 Ų | 145 | 155.2 Ų | 155.2 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | -70.7 | 65.7 | 169.9 | -72.3 | -137.3 | -174.2 | 0 | 0 | 110.3 | I16 R20 | I16-E18 PolarHBondContact O-N 3.01Å; I16-E18 VanDerWaalsContact O-N 3.16Å; E18-R20 HydrophobicContact CB-CB 4.44Å; E18-R20 PolarHBondContact O-N 2.76Å; E18-R20 WeakPolarHBondContact OE2-CD 3.32Å; E18-R20 IonicContact OE2-NH1 2.73Å | ||
| 19 | D | 46.3 | Very low | 51.1 | Low | 160 Ų | 160 | 152.6 Ų | 152.6 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | -76.8 | 62.1 | 155.7 | -82.6 | -14.4 | 0 | 0 | 0 | 108.4 | D17 L21 | D17-D19 PolarHBondContact O-N 2.89Å; D19-L21 PolarHBondContact O-N 2.83Å; D19-L21 VanDerWaalsContact O-N 3.16Å | ||
| 20 | R | 49.5 | Very low | 50.7 | Low | 193 Ų | 193 | 153.2 Ų | 153.2 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | trans | -78.6 | 93 | 174.5 | -162.9 | 175.3 | -177.4 | -168.6 | -1.5 | 106 | E18 N22 | E18-R20 HydrophobicContact CB-CB 4.44Å; E18-R20 PolarHBondContact O-N 2.76Å; E18-R20 WeakPolarHBondContact OE2-CD 3.32Å; E18-R20 IonicContact OE2-NH1 2.73Å; R20-N22 PolarHBondContact O-N 2.99Å | ||
| 21 | L | 47.8 | Very low | 50.8 | Low | 136 Ų | 136 | 149.3 Ų | 149.3 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | trans | 34.9 | 84.6 | 145.3 | -63.6 | 167.7 | 0 | 0 | 0 | 113.4 | D19 E23 | D19-L21 PolarHBondContact O-N 2.83Å; D19-L21 VanDerWaalsContact O-N 3.16Å; L21-E23 HydrophobicContact CB-CG 4.45Å; L21-E23 PolarHBondContact O-N 2.73Å | ||
| 22 | N | 48.8 | Very low | 50.8 | Low | 152 Ų | 152 | 152.6 Ų | 152.6 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | -71.1 | 76.8 | 163.1 | -151.2 | 39.8 | 0 | 0 | 0 | 107.6 | R20 E24 | R20-N22 PolarHBondContact O-N 2.99Å; N22-E24 PolarHBondContact O-N 3.29Å | ||
| 23 | E | 54.9 | Low | 51 | Low | 163 Ų | 163 | 150.6 Ų | 150.6 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | -83.5 | 22.9 | 174.3 | -89.6 | -159.9 | -151.7 | 0 | 0 | 112.4 | L21 | L21-E23 HydrophobicContact CB-CG 4.45Å; L21-E23 PolarHBondContact O-N 2.73Å | ||
| 24 | E | 51.8 | Low | 51.2 | Low | 167 Ų | 167 | 150.8 Ų | 150.8 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | trans | -101.2 | 123.7 | -179.4 | -63.6 | -168.9 | 177.6 | 0 | 0 | 110.3 | N22 | N22-E24 PolarHBondContact O-N 3.29Š| ||
| 25 | D | 56.3 | Low | 51.6 | Low | 144 Ų | 144 | 155.6 Ų | 155.6 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | 98.3 | 44.7 | 172.1 | -128.6 | 20.2 | 0 | 0 | 0 | 118 | Q27 | D25-Q27 PolarHBondContact O-N 3.24Š| ||
| 26 | Y | 55 | Low | 51.8 | Low | 236 Ų | 236 | 153.9 Ų | 153.9 | 93% | 0.925 | 76% | 0.763 | S | S | * | * | trans | -79 | 92 | 148.5 | -100.6 | -87.5 | 0 | 0 | 0 | 109 | E28 | Y26-E28 PolarHBondContact O-N 2.86Š| ||
| 27 | Q | 61.1 | Low | 52.1 | Low | 165 Ų | 165 | 151.8 Ų | 151.8 | 77% | 0.771 | 76% | 0.763 | S | S | * | * | trans | -73.6 | 109.4 | 158.8 | -74.6 | -154 | -37.7 | 0 | 0 | 108.4 | D25 P29 | D25-Q27 PolarHBondContact O-N 3.24Å; Q27-P29 WeakPolarHBondContact O-CD 3.32Å | ||
| 28 | E | 59.1 | Low | 52.9 | Low | 178 Ų | 178 | 153.6 Ų | 153.6 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | -56.1 | 118.6 | 167.5 | -170.7 | 174.2 | -167.7 | 0 | 0 | 108.4 | Y26 D30 | Y26-E28 PolarHBondContact O-N 2.86Å; E28-D30 PolarHBondContact O-N 3.04Å | ||
| 29 | P | 57.6 | Low | 53.7 | Low | 100 Ų | 100 | 153.7 Ų | 153.7 | 65% | 0.649 | 77% | 0.772 | S | S | * | * | trans | -69.1 | 110.5 | 174.6 | 27.5 | -29.2 | 0 | 0 | 0 | 107.4 | Q27 C31 | Q27-P29 WeakPolarHBondContact O-CD 3.32Å; P29-C31 PolarHBondContact O-N 2.99Å | ||
| 30 | D | 54.6 | Low | 55.1 | Low | 135 Ų | 135 | 151 Ų | 151 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | trans | -66.2 | 75.6 | 170.2 | -165.7 | 6.8 | 0 | 0 | 0 | 108.7 | E28 R32 | E28-D30 PolarHBondContact O-N 3.04Å; D30-R32 PolarHBondContact O-N 2.76Å | ||
| 31 | C | 51.3 | Low | 56.8 | Low | 113 Ų | 113 | 144.8 Ų | 144.8 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | trans | -75.6 | 62.5 | 175.7 | -80.9 | 0 | 0 | 0 | 0 | 110.2 | P29 S33 | P29-C31 PolarHBondContact O-N 2.99Å; C31-S33 PolarHBondContact O-N 3.46Å | ||
| 32 | R | 50 | Low | 58.8 | Low | 206 Ų | 206 | 144.5 Ų | 144.5 | 78% | 0.777 | 74% | 0.74 | S | S | * | * | trans | -76.4 | 72.3 | 159.9 | -81.7 | -178.7 | 162.5 | -132 | -1.8 | 109.5 | D30 E34 | D30-R32 PolarHBondContact O-N 2.76Å; R32-E34 PolarHBondContact O-N 3.01Å | ||
| 33 | S | 49.9 | Very low | 60.7 | Low | 108 Ų | 108 | 141.7 Ų | 141.7 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | trans | -82.1 | 86.8 | 164.7 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | C31 N35 | C31-S33 PolarHBondContact O-N 3.46Å; S33-N35 PolarHBondContact O-N 3.43Å; S33-N35 VanDerWaalsContact O-N 3.11Å | ||
| 34 | E | 49.8 | Very low | 62.5 | Low | 167 Ų | 167 | 138.4 Ų | 138.4 | 78% | 0.78 | 71% | 0.713 | S | S | * | * | trans | -63.4 | 98.4 | 156.9 | -74.6 | 175.7 | 168.1 | 0 | 0 | 108.3 | R32 | R32-E34 PolarHBondContact O-N 3.01Š| ||
| 35 | N | 51.9 | Low | 64.3 | Low | 142 Ų | 142 | 133.6 Ų | 133.6 | 76% | 0.759 | 69% | 0.692 | S | S | * | * | trans | 163 | 136.7 | 144.5 | -92.2 | -55.5 | 0 | 0 | 0 | 111.6 | S33 | S33-N35 PolarHBondContact O-N 3.43Å; S33-N35 VanDerWaalsContact O-N 3.11Å | ||
| 36 | I | 50.7 | Low | 66.1 | Low | 134 Ų | 134 | 132 Ų | 132 | 69% | 0.687 | 68% | 0.68 | S | S | * | * | trans | 87.2 | 86.5 | 169.2 | -43.8 | 153.9 | 0 | 0 | 0 | 114.5 | E38 | I36-E38 HydrophobicContact CG2-CB 4.17Å; I36-E38 HydrophobicContact CG2-CG 3.72Å; I36-E38 PolarHBondContact O-N 3.43Å | ||
| 37 | S | 52.1 | Low | 67.9 | Low | 119 Ų | 119 | 124.4 Ų | 124.4 | 83% | 0.832 | 66% | 0.661 | S | S | * | * | trans | -64.4 | 74.8 | 152.9 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 38 | E | 62.9 | Low | 69.5 | Low | 162 Ų | 162 | 121.1 Ų | 121.1 | 76% | 0.757 | 65% | 0.648 | S | S | * | * | trans | -83.1 | 116.1 | 152.3 | -90.9 | 169.4 | -175.8 | 0 | 0 | 105.6 | I36 I40 | I36-E38 HydrophobicContact CG2-CB 4.17Å; I36-E38 HydrophobicContact CG2-CG 3.72Å; I36-E38 PolarHBondContact O-N 3.43Å; E38-I40 PolarHBondContact O-N 2.96Å | ||
| 39 | D | 65.9 | Low | 71.2 | Confident | 147 Ų | 147 | 119.2 Ų | 119.2 | 79% | 0.786 | 64% | 0.637 | S | S | * | * | trans | -56.9 | 103.1 | 173.2 | -88.6 | -32 | 0 | 0 | 0 | 107.5 | T41 | D39-T41 PolarHBondContact O-N 3.45Š| ||
| 40 | I | 77.4 | Confident | 73.1 | Confident | 103 Ų | 103 | 120.7 Ų | 120.7 | 53% | 0.528 | 63% | 0.633 | S | S | . | * | trans | -53.3 | 116.7 | 168.2 | -93 | 171.5 | 0 | 0 | 0 | 106.2 | E38 E44 I45 | E38-I40 PolarHBondContact O-N 2.96Å; I40-E44 WeakPolarHBondContact CA-OE2 3.45Å; I40-E44 HydrophobicContact CG2-CB 4.16Å; I40-I45 HydrophobicContact CG2-CD1 3.84Å; I40-I45 HydrophobicContact CG2-CG1 3.28Å | ||
| 41 | T | 84.9 | Confident | 75.1 | Confident | 63 Ų | 63 | 120.6 Ų | 120.6 | 39% | 0.387 | 63% | 0.628 | S | S | . | * | trans | -66.7 | 147.9 | 178.8 | 55.7 | 0 | 0 | 0 | 0 | 108.7 | D39 T43 E44 I45 | D39-T41 PolarHBondContact O-N 3.45Å; T41-T43 WeakPolarHBondContact CB-OG1 3.22Å; T41-T43 PolarHBondContact O-N 2.93Å; T41-T43 PolarHBondContact OG1-OG1 3.35Å; T41-E44 PolarHBondContact N-OE2 3.46Å; T41-E44 PolarHBondContact O-N 3.21Å; T41-E44 VanDerWaalsContact OG1-CD 3.27Å; T41-E44 VanDerWaalsContact OG1-CG 3.32Å; T41-E44 WeakPolarHBondContact OG1-CG 3.49Å; T41-E44 PolarHBondContact OG1-N 3.3Å; T41-E44 PolarHBondContact OG1-OE2 3.13Å; T41-I45 PolarHBondContact O-N 3.01Å | ||
| 42 | D | 88.1 | Confident | 77.2 | Confident | 131 Ų | 131 | 119.8 Ų | 119.8 | 70% | 0.701 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -51.2 | -30.3 | 172 | -72.5 | -34.5 | 0 | 0 | 0 | 111.4 | I45 E46 | D42-I45 PolarHBondContact O-N 3.13Å; D42-E46 WeakPolarHBondContact O-CG 3.35Å; D42-E46 PolarHBondContact O-N 3.34Å |
| 43 | T | 89.7 | Confident | 79.5 | Confident | 93 Ų | 93 | 116.2 Ų | 116.2 | 57% | 0.571 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.6 | -39.8 | 173.6 | 42.7 | 0 | 0 | 0 | 0 | 114.1 | T41 E46 C47 | T41-T43 WeakPolarHBondContact CB-OG1 3.22Å; T41-T43 PolarHBondContact O-N 2.93Å; T41-T43 PolarHBondContact OG1-OG1 3.35Å; T43-E46 PolarHBondContact O-N 2.98Å; T43-C47 PolarHBondContact O-N 3.39Å; T43-C47 PolarHBondContact O-SG 3.37Å |
| 44 | E | 92 | Very high | 81.7 | Confident | 93 Ų | 93 | 114.7 Ų | 114.7 | 44% | 0.435 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70.1 | -38.4 | 176.7 | -75.3 | 158.8 | 147.7 | 0 | 0 | 111.5 | I40 T41 E46 C47 L48 | I40-E44 WeakPolarHBondContact CA-OE2 3.45Å; I40-E44 HydrophobicContact CG2-CB 4.16Å; T41-E44 PolarHBondContact N-OE2 3.46Å; T41-E44 PolarHBondContact O-N 3.21Å; T41-E44 VanDerWaalsContact OG1-CD 3.27Å; T41-E44 VanDerWaalsContact OG1-CG 3.32Å; T41-E44 WeakPolarHBondContact OG1-CG 3.49Å; T41-E44 PolarHBondContact OG1-N 3.3Å; T41-E44 PolarHBondContact OG1-OE2 3.13Å; E44-E46 VanDerWaalsContact C-N 3.33Å; E44-E46 PolarHBondContact O-N 3.45Å; E44-C47 WeakPolarHBondContact O-CB 3.41Å; E44-C47 PolarHBondContact O-N 2.91Å; E44-L48 WeakPolarHBondContact O-CG 3.28Å; E44-L48 PolarHBondContact O-N 3.35Å |
| 45 | I | 90.7 | Very high | 84 | Confident | 67 Ų | 67 | 111.9 Ų | 111.9 | 34% | 0.344 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60.9 | -43.8 | 173.3 | -59.2 | -179.7 | 0 | 0 | 0 | 110.6 | I40 T41 D42 C47 L48 K49 | I40-I45 HydrophobicContact CG2-CD1 3.84Å; I40-I45 HydrophobicContact CG2-CG1 3.28Å; T41-I45 PolarHBondContact O-N 3.01Å; D42-I45 PolarHBondContact O-N 3.13Å; I45-C47 VanDerWaalsContact C-N 3.34Å; I45-L48 PolarHBondContact O-N 2.95Å; I45-K49 HydrophobicContact CG2-CD 4.24Å; I45-K49 WeakPolarHBondContact O-CB 3.39Å; I45-K49 WeakPolarHBondContact O-CG 3.5Å; I45-K49 PolarHBondContact O-N 3.3Å |
| 46 | E | 92.9 | Very high | 86.2 | Confident | 109 Ų | 109 | 108.8 Ų | 108.8 | 51% | 0.509 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.1 | -37.4 | 176.1 | -77 | -171.3 | -179.4 | 0 | 0 | 112.7 | D42 T43 E44 K50 | D42-E46 WeakPolarHBondContact O-CG 3.35Å; D42-E46 PolarHBondContact O-N 3.34Å; T43-E46 PolarHBondContact O-N 2.98Å; E44-E46 VanDerWaalsContact C-N 3.33Å; E44-E46 PolarHBondContact O-N 3.45Å; E46-K50 WeakPolarHBondContact O-CG 3.48Å; E46-K50 PolarHBondContact O-N 3.38Å; E46-K50 VanDerWaalsContact O-N 3.13Å |
| 47 | C | 93.9 | Very high | 88.5 | Confident | 78 Ų | 78 | 105.4 Ų | 105.4 | 53% | 0.527 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.1 | -49.4 | 173.8 | -73.7 | 0 | 0 | 0 | 0 | 111.6 | T43 E44 I45 K49 K50 E51 | T43-C47 PolarHBondContact O-N 3.39Å; T43-C47 PolarHBondContact O-SG 3.37Å; E44-C47 WeakPolarHBondContact O-CB 3.41Å; E44-C47 PolarHBondContact O-N 2.91Å; I45-C47 VanDerWaalsContact C-N 3.34Å; C47-K49 VanDerWaalsContact C-N 3.33Å; C47-K49 PolarHBondContact O-N 2.95Å; C47-K50 WeakPolarHBondContact O-CB 3.5Å; C47-K50 PolarHBondContact O-N 2.86Å; C47-K50 VanDerWaalsContact O-N 3.13Å; C47-E51 PolarHBondContact O-N 2.91Å |
| 48 | L | 94.3 | Very high | 90.7 | Very high | 96 Ų | 96 | 105.2 Ų | 105.2 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.5 | -39.9 | 177.5 | -74 | 170.8 | 0 | 0 | 0 | 112.5 | E44 I45 K50 E51 L52 | E44-L48 WeakPolarHBondContact O-CG 3.28Å; E44-L48 PolarHBondContact O-N 3.35Å; I45-L48 PolarHBondContact O-N 2.95Å; L48-K50 VanDerWaalsContact C-N 3.33Å; L48-K50 PolarHBondContact O-N 3.46Å; L48-E51 PolarHBondContact O-N 2.89Å; L48-L52 WeakPolarHBondContact O-CB 3.35Å; L48-L52 PolarHBondContact O-N 3.02Å |
| 49 | K | 95.8 | Very high | 92.3 | Very high | 137 Ų | 137 | 102.1 Ų | 102.1 | 60% | 0.596 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.6 | -40.7 | 174.9 | -77.6 | 175.4 | 179 | 173.6 | 0 | 112.3 | I45 C47 Q53 | I45-K49 HydrophobicContact CG2-CD 4.24Å; I45-K49 WeakPolarHBondContact O-CB 3.39Å; I45-K49 WeakPolarHBondContact O-CG 3.5Å; I45-K49 PolarHBondContact O-N 3.3Å; C47-K49 VanDerWaalsContact C-N 3.33Å; C47-K49 PolarHBondContact O-N 2.95Å; K49-Q53 VanDerWaalsContact O-CB 3.28Å; K49-Q53 WeakPolarHBondContact O-CB 3.38Å; K49-Q53 PolarHBondContact O-N 2.71Å |
| 50 | K | 96 | Very high | 93.9 | Very high | 132 Ų | 132 | 101.2 Ų | 101.2 | 57% | 0.574 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.2 | -40.3 | 177.4 | -73.8 | 171 | -175 | 164.4 | 0 | 111.6 | E46 C47 L48 Q53 S54 | E46-K50 WeakPolarHBondContact O-CG 3.48Å; E46-K50 PolarHBondContact O-N 3.38Å; E46-K50 VanDerWaalsContact O-N 3.13Å; C47-K50 WeakPolarHBondContact O-CB 3.5Å; C47-K50 PolarHBondContact O-N 2.86Å; C47-K50 VanDerWaalsContact O-N 3.13Å; L48-K50 VanDerWaalsContact C-N 3.33Å; L48-K50 PolarHBondContact O-N 3.46Å; K50-Q53 PolarHBondContact O-N 3.05Å; K50-S54 WeakPolarHBondContact O-CB 3.48Å; K50-S54 PolarHBondContact O-N 2.88Å |
| 51 | E | 96.3 | Very high | 94.9 | Very high | 132 Ų | 132 | 103.7 Ų | 103.7 | 62% | 0.617 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.6 | -50.9 | 175.8 | -174.2 | 171.4 | -164 | 0 | 0 | 111.2 | C47 L48 Q53 S54 E55 | C47-E51 PolarHBondContact O-N 2.91Å; L48-E51 PolarHBondContact O-N 2.89Å; E51-Q53 VanDerWaalsContact C-N 3.31Å; E51-Q53 PolarHBondContact O-N 3.35Å; E51-S54 WeakPolarHBondContact O-CA 3.45Å; E51-S54 VanDerWaalsContact O-CB 3.29Å; E51-S54 WeakPolarHBondContact O-CB 3.29Å; E51-S54 PolarHBondContact O-N 3.2Å; E51-E55 PolarHBondContact O-N 3.38Å |
| 52 | L | 96.9 | Very high | 95.5 | Very high | 97 Ų | 97 | 105.2 Ų | 105.2 | 51% | 0.508 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 176.1 | 179.7 | 63.4 | 0 | 0 | 0 | 112.2 | L48 S54 E55 I56 | L48-L52 WeakPolarHBondContact O-CB 3.35Å; L48-L52 PolarHBondContact O-N 3.02Å; L52-S54 VanDerWaalsContact C-N 3.3Å; L52-S54 PolarHBondContact O-N 2.92Å; L52-E55 PolarHBondContact O-N 3.2Å; L52-I56 HydrophobicContact CD1-CD1 4.12Å; L52-I56 HydrophobicContact CD1-CG1 4.29Å; L52-I56 HydrophobicContact CG-CD1 3.94Å; L52-I56 WeakPolarHBondContact O-CB 3.49Å; L52-I56 VanDerWaalsContact O-CG1 3.28Å; L52-I56 WeakPolarHBondContact O-CG1 3.28Å; L52-I56 PolarHBondContact O-N 2.87Å |
| 53 | Q | 97.5 | Very high | 96 | Very high | 131 Ų | 131 | 106.1 Ų | 106.1 | 61% | 0.612 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.9 | -37.1 | 175.4 | -174.7 | 177.9 | -1.5 | 0 | 0 | 111.8 | K49 K50 E51 S57 | K49-Q53 VanDerWaalsContact O-CB 3.28Å; K49-Q53 WeakPolarHBondContact O-CB 3.38Å; K49-Q53 PolarHBondContact O-N 2.71Å; K50-Q53 PolarHBondContact O-N 3.05Å; E51-Q53 VanDerWaalsContact C-N 3.31Å; E51-Q53 PolarHBondContact O-N 3.35Å; Q53-S57 WeakPolarHBondContact O-CB 3.38Å; Q53-S57 PolarHBondContact O-N 3.1Å; Q53-S57 PolarHBondContact O-OG 3.41Å |
| 54 | S | 97.2 | Very high | 96.4 | Very high | 76 Ų | 76 | 108.2 Ų | 108.2 | 53% | 0.531 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.5 | -46.4 | 174.6 | -170 | 0 | 0 | 0 | 0 | 111.3 | K50 E51 L52 S57 E58 | K50-S54 WeakPolarHBondContact O-CB 3.48Å; K50-S54 PolarHBondContact O-N 2.88Å; E51-S54 WeakPolarHBondContact O-CA 3.45Å; E51-S54 VanDerWaalsContact O-CB 3.29Å; E51-S54 WeakPolarHBondContact O-CB 3.29Å; E51-S54 PolarHBondContact O-N 3.2Å; L52-S54 VanDerWaalsContact C-N 3.3Å; L52-S54 PolarHBondContact O-N 2.92Å; S54-S57 WeakPolarHBondContact O-CB 3.47Å; S54-S57 PolarHBondContact O-N 3.16Å; S54-E58 PolarHBondContact O-N 2.87Å |
| 55 | E | 97.7 | Very high | 96.7 | Very high | 108 Ų | 108 | 107.7 Ų | 107.7 | 51% | 0.505 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 178.5 | -173.6 | 178.2 | -173.1 | 0 | 0 | 111.8 | E51 L52 S57 E58 L59 | E51-E55 PolarHBondContact O-N 3.38Å; L52-E55 PolarHBondContact O-N 3.2Å; E55-S57 VanDerWaalsContact C-N 3.29Å; E55-S57 PolarHBondContact O-N 3.38Å; E55-E58 PolarHBondContact O-N 3.45Å; E55-L59 HydrophobicContact CG-CD1 4.34Å; E55-L59 WeakPolarHBondContact O-CG 3.49Å; E55-L59 PolarHBondContact O-N 3.36Å |
| 56 | I | 97.9 | Very high | 97.1 | Very high | 77 Ų | 77 | 107.3 Ų | 107.3 | 40% | 0.395 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 174 | -69 | 167.8 | 0 | 0 | 0 | 110.7 | L52 E58 L59 E60 | L52-I56 HydrophobicContact CD1-CD1 4.12Å; L52-I56 HydrophobicContact CD1-CG1 4.29Å; L52-I56 HydrophobicContact CG-CD1 3.94Å; L52-I56 WeakPolarHBondContact O-CB 3.49Å; L52-I56 VanDerWaalsContact O-CG1 3.28Å; L52-I56 WeakPolarHBondContact O-CG1 3.28Å; L52-I56 PolarHBondContact O-N 2.87Å; I56-E58 VanDerWaalsContact C-N 3.31Å; I56-E58 PolarHBondContact O-N 3.44Å; I56-L59 PolarHBondContact O-N 3.44Å; I56-E60 HydrophobicContact CG2-CG 4.31Å; I56-E60 WeakPolarHBondContact O-CB 3.3Å; I56-E60 VanDerWaalsContact O-CG 3.3Å; I56-E60 WeakPolarHBondContact O-CG 3.41Å; I56-E60 PolarHBondContact O-N 2.88Å |
| 57 | S | 97.7 | Very high | 97.4 | Very high | 62 Ų | 62 | 106.9 Ų | 106.9 | 43% | 0.434 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65 | -36.2 | 179.2 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | Q53 S54 E55 W61 | Q53-S57 WeakPolarHBondContact O-CB 3.38Å; Q53-S57 PolarHBondContact O-N 3.1Å; Q53-S57 PolarHBondContact O-OG 3.41Å; S54-S57 WeakPolarHBondContact O-CB 3.47Å; S54-S57 PolarHBondContact O-N 3.16Å; E55-S57 VanDerWaalsContact C-N 3.29Å; E55-S57 PolarHBondContact O-N 3.38Å; S57-W61 WeakPolarHBondContact O-CB 3.36Å; S57-W61 PolarHBondContact O-N 2.95Å; S57-W61 VanDerWaalsContact O-N 3.15Å |
| 58 | E | 98.2 | Very high | 97.6 | Very high | 116 Ų | 116 | 108 Ų | 108 | 54% | 0.542 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.1 | -48 | 174.2 | -174.7 | 167.2 | -158.1 | 0 | 0 | 111.1 | S54 E55 I56 E60 W61 E62 | S54-E58 PolarHBondContact O-N 2.87Å; E55-E58 PolarHBondContact O-N 3.45Å; I56-E58 VanDerWaalsContact C-N 3.31Å; I56-E58 PolarHBondContact O-N 3.44Å; E58-E60 PolarHBondContact O-N 3.15Å; E58-W61 WeakPolarHBondContact O-CB 3.32Å; E58-W61 PolarHBondContact O-N 2.85Å; E58-W61 VanDerWaalsContact O-N 3.1Å; E58-E62 WeakPolarHBondContact O-CG 3.45Å; E58-E62 PolarHBondContact O-N 2.94Å |
| 59 | L | 98.4 | Very high | 97.8 | Very high | 96 Ų | 96 | 107 Ų | 107 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 176.1 | -72.4 | 172.3 | 0 | 0 | 0 | 112.7 | E55 I56 W61 E62 F63 | E55-L59 HydrophobicContact CG-CD1 4.34Å; E55-L59 WeakPolarHBondContact O-CG 3.49Å; E55-L59 PolarHBondContact O-N 3.36Å; I56-L59 PolarHBondContact O-N 3.44Å; L59-W61 VanDerWaalsContact C-N 3.29Å; L59-W61 PolarHBondContact O-N 3.15Å; L59-E62 PolarHBondContact O-N 3.36Å; L59-F63 VanDerWaalsContact O-CB 3.32Å; L59-F63 WeakPolarHBondContact O-CB 3.39Å; L59-F63 PolarHBondContact O-N 2.87Å |
| 60 | E | 98.2 | Very high | 97.9 | Very high | 129 Ų | 129 | 105.6 Ų | 105.6 | 60% | 0.603 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.1 | -38.9 | 175.1 | -77.4 | 179.9 | 170.8 | 0 | 0 | 111.8 | I56 E58 K64 | I56-E60 HydrophobicContact CG2-CG 4.31Å; I56-E60 WeakPolarHBondContact O-CB 3.3Å; I56-E60 VanDerWaalsContact O-CG 3.3Å; I56-E60 WeakPolarHBondContact O-CG 3.41Å; I56-E60 PolarHBondContact O-N 2.88Å; E58-E60 PolarHBondContact O-N 3.15Å; E60-K64 WeakPolarHBondContact O-CB 3.31Å; E60-K64 PolarHBondContact O-N 3.46Å; E60-K64 VanDerWaalsContact O-N 3.08Å |
| 61 | W | 98.4 | Very high | 98 | Very high | 154 Ų | 154 | 105.8 Ų | 105.8 | 58% | 0.583 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.4 | -48.6 | 175.5 | -178.9 | 87.5 | 0 | 0 | 0 | 111.2 | S57 E58 L59 F63 K64 Q65 | S57-W61 WeakPolarHBondContact O-CB 3.36Å; S57-W61 PolarHBondContact O-N 2.95Å; S57-W61 VanDerWaalsContact O-N 3.15Å; E58-W61 WeakPolarHBondContact O-CB 3.32Å; E58-W61 PolarHBondContact O-N 2.85Å; E58-W61 VanDerWaalsContact O-N 3.1Å; L59-W61 VanDerWaalsContact C-N 3.29Å; L59-W61 PolarHBondContact O-N 3.15Å; W61-F63 PolarHBondContact O-N 2.96Å; W61-K64 WeakPolarHBondContact O-CB 3.43Å; W61-K64 PolarHBondContact O-N 2.92Å; W61-Q65 HydrophobicContact CD2-CG 4.02Å; W61-Q65 HydrophobicContact CE3-CG 4.18Å; W61-Q65 HydrophobicContact CH2-CG 3.96Å; W61-Q65 HydrophobicContact CZ2-CG 3.79Å; W61-Q65 HydrophobicContact CZ3-CG 4.15Å; W61-Q65 WeakPolarHBondContact O-CG 3.47Å; W61-Q65 PolarHBondContact O-N 3.17Å |
| 62 | E | 98.5 | Very high | 98.1 | Very high | 96 Ų | 96 | 103.5 Ų | 103.5 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.7 | -45.5 | 176.8 | -70.9 | -174.1 | 162.9 | 0 | 0 | 112.1 | E58 L59 K64 Q65 A66 | E58-E62 WeakPolarHBondContact O-CG 3.45Å; E58-E62 PolarHBondContact O-N 2.94Å; L59-E62 PolarHBondContact O-N 3.36Å; E62-K64 VanDerWaalsContact C-N 3.29Å; E62-K64 PolarHBondContact O-N 3.08Å; E62-Q65 PolarHBondContact O-N 2.99Å; E62-Q65 VanDerWaalsContact O-N 3.15Å; E62-A66 WeakPolarHBondContact O-CB 3.37Å; E62-A66 PolarHBondContact O-N 3.16Å |
| 63 | F | 98.3 | Very high | 98.2 | Very high | 149 Ų | 149 | 103.8 Ų | 103.8 | 65% | 0.654 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.1 | -40.6 | 177.2 | -176.7 | -100.2 | 0 | 0 | 0 | 111.7 | L59 W61 A66 K67 | L59-F63 VanDerWaalsContact O-CB 3.32Å; L59-F63 WeakPolarHBondContact O-CB 3.39Å; L59-F63 PolarHBondContact O-N 2.87Å; W61-F63 PolarHBondContact O-N 2.96Å; F63-A66 PolarHBondContact O-N 3.1Å; F63-K67 VanDerWaalsContact O-CB 3.31Å; F63-K67 WeakPolarHBondContact O-CB 3.48Å; F63-K67 PolarHBondContact O-N 3.31Å |
| 64 | K | 98.3 | Very high | 98.2 | Very high | 138 Ų | 138 | 104.2 Ų | 104.2 | 60% | 0.6 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.4 | -43.5 | 175.5 | -173.6 | -178.2 | 176.3 | -174.4 | 0 | 111.7 | E60 W61 E62 K67 E68 | E60-K64 WeakPolarHBondContact O-CB 3.31Å; E60-K64 PolarHBondContact O-N 3.46Å; E60-K64 VanDerWaalsContact O-N 3.08Å; W61-K64 WeakPolarHBondContact O-CB 3.43Å; W61-K64 PolarHBondContact O-N 2.92Å; E62-K64 VanDerWaalsContact C-N 3.29Å; E62-K64 PolarHBondContact O-N 3.08Å; K64-K67 PolarHBondContact O-N 2.94Å; K64-E68 PolarHBondContact O-N 3.44Å |
| 65 | Q | 98.3 | Very high | 98.3 | Very high | 81 Ų | 81 | 104.8 Ų | 104.8 | 38% | 0.379 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 177.2 | -63.8 | -58.5 | 88.4 | 0 | 0 | 111.8 | W61 E62 K67 E68 S69 | W61-Q65 HydrophobicContact CD2-CG 4.02Å; W61-Q65 HydrophobicContact CE3-CG 4.18Å; W61-Q65 HydrophobicContact CH2-CG 3.96Å; W61-Q65 HydrophobicContact CZ2-CG 3.79Å; W61-Q65 HydrophobicContact CZ3-CG 4.15Å; W61-Q65 WeakPolarHBondContact O-CG 3.47Å; W61-Q65 PolarHBondContact O-N 3.17Å; E62-Q65 PolarHBondContact O-N 2.99Å; E62-Q65 VanDerWaalsContact O-N 3.15Å; Q65-K67 PolarHBondContact O-N 3.34Å; Q65-E68 PolarHBondContact O-N 3.48Å; Q65-S69 WeakPolarHBondContact O-CB 3.41Å; Q65-S69 PolarHBondContact O-N 3Å |
| 66 | A | 98.4 | Very high | 98.3 | Very high | 60 Ų | 60 | 105.4 Ų | 105.4 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E62 F63 S69 L70 | E62-A66 WeakPolarHBondContact O-CB 3.37Å; E62-A66 PolarHBondContact O-N 3.16Å; F63-A66 PolarHBondContact O-N 3.1Å; A66-S69 WeakPolarHBondContact O-CB 3.43Å; A66-S69 PolarHBondContact O-N 3.45Å; A66-L70 PolarHBondContact O-N 3.4Å |
| 67 | K | 98.4 | Very high | 98.4 | Very high | 100 Ų | 100 | 105.4 Ų | 105.4 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 176.3 | -176.7 | 176.7 | -179.1 | 176.5 | 0 | 112.4 | F63 K64 Q65 L70 Y71 | F63-K67 VanDerWaalsContact O-CB 3.31Å; F63-K67 WeakPolarHBondContact O-CB 3.48Å; F63-K67 PolarHBondContact O-N 3.31Å; K64-K67 PolarHBondContact O-N 2.94Å; Q65-K67 PolarHBondContact O-N 3.34Å; K67-L70 PolarHBondContact O-N 2.89Å; K67-Y71 HydrophobicContact CD-CE2 4.17Å; K67-Y71 VanDerWaalsContact CE-CE2 3.47Å; K67-Y71 WeakPolarHBondContact CE-OH 3.26Å; K67-Y71 HydrophobicContact CG-CD2 4.15Å; K67-Y71 HydrophobicContact CG-CE2 3.68Å; K67-Y71 WeakPolarHBondContact O-CD2 3.43Å; K67-Y71 PolarHBondContact O-N 3.27Å; K67-Y71 VanDerWaalsContact O-N 3.1Å |
| 68 | E | 98.3 | Very high | 98.4 | Very high | 101 Ų | 101 | 106 Ų | 106 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 176.1 | -175 | 172.6 | 179 | 0 | 0 | 111.4 | K64 Q65 L70 Y71 N72 | K64-E68 PolarHBondContact O-N 3.44Å; Q65-E68 PolarHBondContact O-N 3.48Å; E68-L70 PolarHBondContact O-N 2.94Å; E68-Y71 PolarHBondContact O-N 3.26Å; E68-N72 WeakPolarHBondContact O-CB 3.18Å; E68-N72 VanDerWaalsContact O-CG 3.32Å; E68-N72 PolarHBondContact O-N 3.03Å; E68-N72 PolarHBondContact O-ND2 2.9Å |
| 69 | S | 98.4 | Very high | 98.4 | Very high | 75 Ų | 75 | 105.1 Ų | 105.1 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.7 | -47.5 | 175.2 | -174.8 | 0 | 0 | 0 | 0 | 112.1 | Q65 A66 Y71 N72 E73 | Q65-S69 WeakPolarHBondContact O-CB 3.41Å; Q65-S69 PolarHBondContact O-N 3Å; A66-S69 WeakPolarHBondContact O-CB 3.43Å; A66-S69 PolarHBondContact O-N 3.45Å; S69-Y71 PolarHBondContact O-N 3.26Å; S69-N72 PolarHBondContact O-N 2.95Å; S69-E73 PolarHBondContact O-N 3.49Å |
| 70 | L | 98.5 | Very high | 98.3 | Very high | 108 Ų | 108 | 104.8 Ų | 104.8 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.7 | -41.7 | 178.1 | -177.7 | 66 | 0 | 0 | 0 | 112.4 | A66 K67 E68 E73 R74 | A66-L70 PolarHBondContact O-N 3.4Å; K67-L70 PolarHBondContact O-N 2.89Å; E68-L70 PolarHBondContact O-N 2.94Å; L70-E73 PolarHBondContact O-N 3.34Å; L70-R74 WeakPolarHBondContact O-CB 3.46Å; L70-R74 PolarHBondContact O-N 3.49Å |
| 71 | Y | 98.6 | Very high | 98.3 | Very high | 135 Ų | 135 | 104.9 Ų | 104.9 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.7 | -41.9 | 176.3 | -71.1 | -33.2 | 0 | 0 | 0 | 112.4 | K67 E68 S69 E73 R74 I75 | K67-Y71 HydrophobicContact CD-CE2 4.17Å; K67-Y71 VanDerWaalsContact CE-CE2 3.47Å; K67-Y71 WeakPolarHBondContact CE-OH 3.26Å; K67-Y71 HydrophobicContact CG-CD2 4.15Å; K67-Y71 HydrophobicContact CG-CE2 3.68Å; K67-Y71 WeakPolarHBondContact O-CD2 3.43Å; K67-Y71 PolarHBondContact O-N 3.27Å; K67-Y71 VanDerWaalsContact O-N 3.1Å; E68-Y71 PolarHBondContact O-N 3.26Å; S69-Y71 PolarHBondContact O-N 3.26Å; Y71-E73 VanDerWaalsContact C-N 3.35Å; Y71-R74 PolarHBondContact O-N 3.07Å; Y71-I75 VanDerWaalsContact O-CG1 3.26Å; Y71-I75 WeakPolarHBondContact O-CG1 3.42Å; Y71-I75 PolarHBondContact O-N 3.36Å |
| 72 | N | 98.5 | Very high | 98.3 | Very high | 84 Ų | 84 | 101.8 Ų | 101.8 | 45% | 0.449 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 176 | -73.9 | -29 | 0 | 0 | 0 | 111.3 | E68 S69 R74 I75 M76 | E68-N72 WeakPolarHBondContact O-CB 3.18Å; E68-N72 VanDerWaalsContact O-CG 3.32Å; E68-N72 PolarHBondContact O-N 3.03Å; E68-N72 PolarHBondContact O-ND2 2.9Å; S69-N72 PolarHBondContact O-N 2.95Å; N72-R74 VanDerWaalsContact C-N 3.34Å; N72-R74 PolarHBondContact O-N 2.89Å; N72-I75 PolarHBondContact O-N 3.2Å; N72-M76 VanDerWaalsContact O-CG 3.3Å; N72-M76 WeakPolarHBondContact O-CG 3.3Å; N72-M76 PolarHBondContact O-N 3.41Å |
| 73 | E | 98.5 | Very high | 98.3 | Very high | 104 Ų | 104 | 101 Ų | 101 | 49% | 0.486 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 174.3 | -167.4 | -164 | 155.1 | 0 | 0 | 111.1 | S69 L70 Y71 I75 M76 Q77 | S69-E73 PolarHBondContact O-N 3.49Å; L70-E73 PolarHBondContact O-N 3.34Å; Y71-E73 VanDerWaalsContact C-N 3.35Å; E73-I75 VanDerWaalsContact C-N 3.33Å; E73-I75 PolarHBondContact O-N 2.95Å; E73-M76 WeakPolarHBondContact O-CB 3.38Å; E73-M76 PolarHBondContact O-N 3.33Å; E73-Q77 WeakPolarHBondContact O-CG 3.28Å; E73-Q77 PolarHBondContact O-N 3.11Å; E73-Q77 PolarHBondContact OE1-NE2 3.41Å |
| 74 | R | 98.6 | Very high | 98.2 | Very high | 140 Ų | 140 | 96.5 Ų | 96.5 | 53% | 0.528 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 178.8 | -177.1 | 54.8 | 176.8 | -174.1 | -4.8 | 112.3 | L70 Y71 N72 Q77 V78 | L70-R74 WeakPolarHBondContact O-CB 3.46Å; L70-R74 PolarHBondContact O-N 3.49Å; Y71-R74 PolarHBondContact O-N 3.07Å; N72-R74 VanDerWaalsContact C-N 3.34Å; N72-R74 PolarHBondContact O-N 2.89Å; R74-Q77 PolarHBondContact O-N 3.47Å; R74-V78 WeakPolarHBondContact O-CG2 3.37Å; R74-V78 PolarHBondContact O-N 3.37Å; R74-V78 VanDerWaalsContact O-N 3.11Å |
| 75 | I | 98.6 | Very high | 98.1 | Very high | 88 Ų | 88 | 91.5 Ų | 91.5 | 45% | 0.451 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60 | -49.3 | 174.6 | -70.2 | 163.9 | 0 | 0 | 0 | 109.6 | Y71 N72 E73 Q77 V78 E79 | Y71-I75 VanDerWaalsContact O-CG1 3.26Å; Y71-I75 WeakPolarHBondContact O-CG1 3.42Å; Y71-I75 PolarHBondContact O-N 3.36Å; N72-I75 PolarHBondContact O-N 3.2Å; E73-I75 VanDerWaalsContact C-N 3.33Å; E73-I75 PolarHBondContact O-N 2.95Å; I75-Q77 VanDerWaalsContact C-N 3.34Å; I75-Q77 PolarHBondContact O-N 3.43Å; I75-V78 PolarHBondContact O-N 3.04Å; I75-V78 VanDerWaalsContact O-N 3.13Å; I75-E79 HydrophobicContact CG2-CG 4.2Å; I75-E79 WeakPolarHBondContact O-CG 3.49Å; I75-E79 PolarHBondContact O-N 3.32Å |
| 76 | M | 98.5 | Very high | 98.1 | Very high | 121 Ų | 121 | 94.7 Ų | 94.7 | 60% | 0.596 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.6 | -40.8 | 178.5 | -72.3 | -64.1 | -61.1 | 0 | 0 | 112.8 | N72 E73 E79 N80 | N72-M76 VanDerWaalsContact O-CG 3.3Å; N72-M76 WeakPolarHBondContact O-CG 3.3Å; N72-M76 PolarHBondContact O-N 3.41Å; E73-M76 WeakPolarHBondContact O-CB 3.38Å; E73-M76 PolarHBondContact O-N 3.33Å; M76-E79 PolarHBondContact O-N 3.13Å; M76-N80 VanDerWaalsContact O-CB 3.28Å; M76-N80 WeakPolarHBondContact O-CB 3.39Å; M76-N80 PolarHBondContact O-N 3.49Å |
| 77 | Q | 98.3 | Very high | 98 | Very high | 76 Ų | 76 | 98.8 Ų | 98.8 | 36% | 0.355 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 174.9 | -71.1 | 176 | 11.8 | 0 | 0 | 111.6 | E73 R74 I75 N80 K81 | E73-Q77 WeakPolarHBondContact O-CG 3.28Å; E73-Q77 PolarHBondContact O-N 3.11Å; E73-Q77 PolarHBondContact OE1-NE2 3.41Å; R74-Q77 PolarHBondContact O-N 3.47Å; I75-Q77 VanDerWaalsContact C-N 3.34Å; I75-Q77 PolarHBondContact O-N 3.43Å; Q77-N80 PolarHBondContact O-N 3.33Å; Q77-K81 WeakPolarHBondContact O-CG 3.33Å; Q77-K81 PolarHBondContact O-N 3.47Å |
| 78 | V | 98.1 | Very high | 97.8 | Very high | 76 Ų | 76 | 96 Ų | 96 | 46% | 0.461 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.9 | -43.2 | 179 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | R74 I75 N80 K81 L82 | R74-V78 WeakPolarHBondContact O-CG2 3.37Å; R74-V78 PolarHBondContact O-N 3.37Å; R74-V78 VanDerWaalsContact O-N 3.11Å; I75-V78 PolarHBondContact O-N 3.04Å; I75-V78 VanDerWaalsContact O-N 3.13Å; V78-N80 VanDerWaalsContact C-N 3.34Å; V78-N80 PolarHBondContact O-N 2.89Å; V78-K81 PolarHBondContact O-N 2.84Å; V78-L82 WeakPolarHBondContact O-CB 3.45Å; V78-L82 PolarHBondContact O-N 3.33Å |
| 79 | E | 98.2 | Very high | 97.7 | Very high | 96 Ų | 96 | 94.6 Ų | 94.6 | 45% | 0.449 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62 | -41.1 | 176.1 | -73.6 | -175.9 | 161.6 | 0 | 0 | 111.8 | I75 M76 L82 N83 | I75-E79 HydrophobicContact CG2-CG 4.2Å; I75-E79 WeakPolarHBondContact O-CG 3.49Å; I75-E79 PolarHBondContact O-N 3.32Å; M76-E79 PolarHBondContact O-N 3.13Å; E79-L82 PolarHBondContact O-N 3.42Å; E79-N83 WeakPolarHBondContact O-CB 3.33Å; E79-N83 VanDerWaalsContact O-CG 3.24Å; E79-N83 PolarHBondContact O-N 3.34Å; E79-N83 PolarHBondContact O-ND2 3.42Å |
| 80 | N | 97.7 | Very high | 97.7 | Very high | 90 Ų | 90 | 91 Ų | 91 | 48% | 0.481 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.1 | -48.1 | 174.6 | -174.4 | 20.7 | 0 | 0 | 0 | 111.4 | M76 Q77 V78 L82 N83 Q84 | M76-N80 VanDerWaalsContact O-CB 3.28Å; M76-N80 WeakPolarHBondContact O-CB 3.39Å; M76-N80 PolarHBondContact O-N 3.49Å; Q77-N80 PolarHBondContact O-N 3.33Å; V78-N80 VanDerWaalsContact C-N 3.34Å; V78-N80 PolarHBondContact O-N 2.89Å; N80-L82 VanDerWaalsContact C-N 3.33Å; N80-L82 PolarHBondContact O-N 3Å; N80-N83 PolarHBondContact O-N 3.23Å; N80-Q84 PolarHBondContact ND2-NE2 3.48Å; N80-Q84 WeakPolarHBondContact O-CG 3.32Å; N80-Q84 PolarHBondContact O-N 3.37Å; N80-Q84 PolarHBondContact OD1-NE2 3.2Å |
| 81 | K | 97.4 | Very high | 97.5 | Very high | 130 Ų | 130 | 89.7 Ų | 89.7 | 57% | 0.565 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -59.2 | -43.3 | 175.3 | -74.1 | -175.2 | 178.5 | -171.4 | 0 | 111.8 | Q77 V78 N83 Q84 A85 | Q77-K81 WeakPolarHBondContact O-CG 3.33Å; Q77-K81 PolarHBondContact O-N 3.47Å; V78-K81 PolarHBondContact O-N 2.84Å; K81-N83 PolarHBondContact O-N 2.95Å; K81-Q84 PolarHBondContact O-N 2.87Å; K81-A85 WeakPolarHBondContact O-CB 3.36Å; K81-A85 PolarHBondContact O-N 2.82Å |
| 82 | L | 97.7 | Very high | 97.3 | Very high | 89 Ų | 89 | 88.2 Ų | 88.2 | 47% | 0.466 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 176.6 | -179.7 | 63.3 | 0 | 0 | 0 | 112 | V78 E79 N80 A85 K86 | V78-L82 WeakPolarHBondContact O-CB 3.45Å; V78-L82 PolarHBondContact O-N 3.33Å; E79-L82 PolarHBondContact O-N 3.42Å; N80-L82 VanDerWaalsContact C-N 3.33Å; N80-L82 PolarHBondContact O-N 3Å; L82-A85 PolarHBondContact O-N 3.42Å; L82-K86 HydrophobicContact CG-CD 4.36Å; L82-K86 WeakPolarHBondContact O-CB 3.4Å; L82-K86 WeakPolarHBondContact O-CG 3.44Å; L82-K86 PolarHBondContact O-N 3.01Å |
| 83 | N | 97.9 | Very high | 97.2 | Very high | 80 Ų | 80 | 89.5 Ų | 89.5 | 43% | 0.428 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.1 | -42.1 | 176.4 | -76.1 | -27.2 | 0 | 0 | 0 | 111.5 | E79 N80 K81 A85 K86 M87 | E79-N83 WeakPolarHBondContact O-CB 3.33Å; E79-N83 VanDerWaalsContact O-CG 3.24Å; E79-N83 PolarHBondContact O-N 3.34Å; E79-N83 PolarHBondContact O-ND2 3.42Å; N80-N83 PolarHBondContact O-N 3.23Å; K81-N83 PolarHBondContact O-N 2.95Å; N83-A85 VanDerWaalsContact C-N 3.32Å; N83-A85 PolarHBondContact O-N 2.86Å; N83-K86 PolarHBondContact O-N 3.45Å; N83-M87 WeakPolarHBondContact O-CB 3.48Å; N83-M87 VanDerWaalsContact O-CG 3.3Å; N83-M87 WeakPolarHBondContact O-CG 3.45Å; N83-M87 PolarHBondContact O-N 3.36Å |
| 84 | Q | 97.9 | Very high | 97.1 | Very high | 54 Ų | 54 | 88.8 Ų | 88.8 | 25% | 0.252 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.8 | -43.3 | 173.4 | -70.8 | 172.4 | 28.5 | 0 | 0 | 111.6 | N80 K81 M87 G88 T89 A90 | N80-Q84 PolarHBondContact ND2-NE2 3.48Å; N80-Q84 WeakPolarHBondContact O-CG 3.32Å; N80-Q84 PolarHBondContact O-N 3.37Å; N80-Q84 PolarHBondContact OD1-NE2 3.2Å; K81-Q84 PolarHBondContact O-N 2.87Å; Q84-M87 PolarHBondContact O-N 3.49Å; Q84-G88 PolarHBondContact O-N 3.26Å; Q84-T89 WeakPolarHBondContact CA-OG1 3.36Å; Q84-T89 PolarHBondContact O-N 3.44Å; Q84-T89 PolarHBondContact O-OG1 3.39Å; Q84-A90 HydrophobicContact CB-CB 4.14Å; Q84-A90 PolarHBondContact O-N 3.4Å; Q84-A90 VanDerWaalsContact O-N 3.15Å |
| 85 | A | 96.3 | Very high | 97 | Very high | 33 Ų | 33 | 87.9 Ų | 87.9 | 27% | 0.273 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K81 L82 N83 G88 A90 F93 | K81-A85 WeakPolarHBondContact O-CB 3.36Å; K81-A85 PolarHBondContact O-N 2.82Å; L82-A85 PolarHBondContact O-N 3.42Å; N83-A85 VanDerWaalsContact C-N 3.32Å; N83-A85 PolarHBondContact O-N 2.86Å; A85-G88 PolarHBondContact O-N 2.93Å; A85-A90 HydrophobicContact CB-CB 4.49Å; A85-F93 HydrophobicContact CB-CE2 3.79Å |
| 86 | K | 96.9 | Very high | 96.9 | Very high | 148 Ų | 148 | 87.6 Ų | 87.6 | 64% | 0.643 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65.1 | -36.9 | 177.3 | -75.7 | 174.5 | 179.1 | 174.8 | 0 | 113.2 | L82 N83 | L82-K86 HydrophobicContact CG-CD 4.36Å; L82-K86 WeakPolarHBondContact O-CB 3.4Å; L82-K86 WeakPolarHBondContact O-CG 3.44Å; L82-K86 PolarHBondContact O-N 3.01Å; N83-K86 PolarHBondContact O-N 3.45Å |
| 87 | M | 96.7 | Very high | 96.8 | Very high | 147 Ų | 147 | 86.1 Ų | 86.1 | 72% | 0.724 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -80.2 | -6.1 | 177.4 | -68.7 | -177.2 | 69.4 | 0 | 0 | 112.9 | N83 Q84 T89 | N83-M87 WeakPolarHBondContact O-CB 3.48Å; N83-M87 VanDerWaalsContact O-CG 3.3Å; N83-M87 WeakPolarHBondContact O-CG 3.45Å; N83-M87 PolarHBondContact O-N 3.36Å; Q84-M87 PolarHBondContact O-N 3.49Å; M87-T89 HydrophobicContact CB-CG2 4.17Å; M87-T89 PolarHBondContact O-N 2.97Å |
| 88 | G | 94.8 | Very high | 96.8 | Very high | 41 Ų | 41 | 85.7 Ų | 85.7 | 42% | 0.423 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 20 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q84 A85 | Q84-G88 PolarHBondContact O-N 3.26Å; A85-G88 PolarHBondContact O-N 2.93Å |
| 89 | T | 96.9 | Very high | 96.8 | Very high | 72 Ų | 72 | 85.9 Ų | 85.9 | 44% | 0.442 | 45% | 0.453 | S | S | . | . | trans | -101.2 | -0.1 | 179.4 | 56.6 | 0 | 0 | 0 | 0 | 112.8 | Q84 M87 | Q84-T89 WeakPolarHBondContact CA-OG1 3.36Å; Q84-T89 PolarHBondContact O-N 3.44Å; Q84-T89 PolarHBondContact O-OG1 3.39Å; M87-T89 HydrophobicContact CB-CG2 4.17Å; M87-T89 PolarHBondContact O-N 2.97Å | ||
| 90 | A | 96.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 46% | 0.457 | C | S | . | . | trans | -60.7 | 124.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q84 A85 E92 F93 L94 | Q84-A90 HydrophobicContact CB-CB 4.14Å; Q84-A90 PolarHBondContact O-N 3.4Å; Q84-A90 VanDerWaalsContact O-N 3.15Å; A85-A90 HydrophobicContact CB-CB 4.49Å; A90-E92 VanDerWaalsContact C-N 3.25Å; A90-E92 HydrophobicContact CB-CG 4.36Å; A90-E92 PolarHBondContact O-N 2.99Å; A90-F93 HydrophobicContact CB-CD2 3.83Å; A90-F93 HydrophobicContact CB-CE2 4.38Å; A90-F93 HydrophobicContact CB-CG 4.35Å; A90-F93 PolarHBondContact O-N 3.28Å; A90-L94 PolarHBondContact O-N 3.23Å; A90-L94 VanDerWaalsContact O-N 3.1Å | ||
| 91 | P | 95.2 | Very high | 96.8 | Very high | 80 Ų | 80 | 85.7 Ų | 85.7 | 52% | 0.519 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60 | -34.2 | -173.2 | 22.8 | -32.9 | 0 | 0 | 0 | 113 | F93 L94 H95 | P91-F93 VanDerWaalsContact C-N 3.31Å; P91-F93 PolarHBondContact O-N 3.43Å; P91-L94 PolarHBondContact O-N 2.86Å; P91-H95 PolarHBondContact O-N 3.44Å |
| 92 | E | 93.9 | Very high | 96.9 | Very high | 104 Ų | 104 | 84.7 Ų | 84.7 | 49% | 0.486 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61 | -37.2 | 175.4 | 59.7 | -89.1 | -150.8 | 0 | 0 | 112.6 | A90 V96 | A90-E92 VanDerWaalsContact C-N 3.25Å; A90-E92 HydrophobicContact CB-CG 4.36Å; A90-E92 PolarHBondContact O-N 2.99Å; E92-V96 WeakPolarHBondContact O-CG2 3.4Å; E92-V96 PolarHBondContact O-N 3.22Å |
| 93 | F | 96.5 | Very high | 96.9 | Very high | 111 Ų | 111 | 83.6 Ų | 83.6 | 49% | 0.487 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -78.3 | -36.5 | 177.1 | -65.1 | -27 | 0 | 0 | 0 | 112.2 | A85 A90 P91 H95 V96 L97 | A85-F93 HydrophobicContact CB-CE2 3.79Å; A90-F93 HydrophobicContact CB-CD2 3.83Å; A90-F93 HydrophobicContact CB-CE2 4.38Å; A90-F93 HydrophobicContact CB-CG 4.35Å; A90-F93 PolarHBondContact O-N 3.28Å; P91-F93 VanDerWaalsContact C-N 3.31Å; P91-F93 PolarHBondContact O-N 3.43Å; F93-H95 VanDerWaalsContact C-N 3.29Å; F93-H95 PolarHBondContact O-N 3.02Å; F93-V96 PolarHBondContact O-N 3.35Å; F93-L97 WeakPolarHBondContact O-CB 3.3Å; F93-L97 PolarHBondContact O-N 2.84Å |
| 94 | L | 97.2 | Very high | 97 | Very high | 89 Ų | 89 | 87.1 Ų | 87.1 | 47% | 0.466 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.5 | -39.5 | 174.8 | -66.6 | 178.1 | 0 | 0 | 0 | 111.6 | A90 P91 L97 S98 | A90-L94 PolarHBondContact O-N 3.23Å; A90-L94 VanDerWaalsContact O-N 3.1Å; P91-L94 PolarHBondContact O-N 2.86Å; L94-L97 PolarHBondContact O-N 3.12Å; L94-S98 PolarHBondContact O-N 3.1Å |
| 95 | H | 95.6 | Very high | 97 | Very high | 121 Ų | 121 | 90.4 Ų | 90.4 | 56% | 0.56 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62 | -48 | 174.7 | -178.6 | 57 | 0 | 0 | 0 | 111.9 | P91 F93 L97 S98 L99 | P91-H95 PolarHBondContact O-N 3.44Å; F93-H95 VanDerWaalsContact C-N 3.29Å; F93-H95 PolarHBondContact O-N 3.02Å; H95-L97 VanDerWaalsContact C-N 3.32Å; H95-L97 PolarHBondContact O-N 3.24Å; H95-S98 WeakPolarHBondContact O-CB 3.46Å; H95-S98 PolarHBondContact O-N 3.15Å; H95-L99 PolarHBondContact O-N 2.88Å; H95-L99 VanDerWaalsContact O-N 3.12Å |
| 96 | V | 97.3 | Very high | 97.1 | Very high | 82 Ų | 82 | 93 Ų | 93 | 50% | 0.497 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 176.5 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | E92 F93 S98 L99 V100 | E92-V96 WeakPolarHBondContact O-CG2 3.4Å; E92-V96 PolarHBondContact O-N 3.22Å; F93-V96 PolarHBondContact O-N 3.35Å; V96-S98 VanDerWaalsContact C-N 3.33Å; V96-S98 PolarHBondContact O-N 3.03Å; V96-L99 PolarHBondContact O-N 3.21Å; V96-V100 HydrophobicContact CG1-CG2 4.42Å; V96-V100 WeakPolarHBondContact O-CG2 3.37Å; V96-V100 PolarHBondContact O-N 3.39Å |
| 97 | L | 97 | Very high | 97.2 | Very high | 90 Ų | 90 | 94.7 Ų | 94.7 | 47% | 0.471 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60 | -44 | 177.3 | -175.9 | 62.7 | 0 | 0 | 0 | 111.3 | F93 L94 H95 L99 V100 E101 | F93-L97 WeakPolarHBondContact O-CB 3.3Å; F93-L97 PolarHBondContact O-N 2.84Å; L94-L97 PolarHBondContact O-N 3.12Å; H95-L97 VanDerWaalsContact C-N 3.32Å; H95-L97 PolarHBondContact O-N 3.24Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L97-L99 PolarHBondContact O-N 2.83Å; L97-V100 PolarHBondContact O-N 3.35Å; L97-E101 WeakPolarHBondContact O-CG 3.48Å; L97-E101 PolarHBondContact O-N 3.49Å |
| 98 | S | 97.5 | Very high | 97.3 | Very high | 67 Ų | 67 | 92.7 Ų | 92.7 | 47% | 0.469 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 176.3 | -174.7 | 0 | 0 | 0 | 0 | 112.6 | L94 H95 V96 E101 E102 | L94-S98 PolarHBondContact O-N 3.1Å; H95-S98 WeakPolarHBondContact O-CB 3.46Å; H95-S98 PolarHBondContact O-N 3.15Å; V96-S98 VanDerWaalsContact C-N 3.33Å; V96-S98 PolarHBondContact O-N 3.03Å; S98-E101 PolarHBondContact O-N 3Å; S98-E102 WeakPolarHBondContact O-CB 3.38Å; S98-E102 PolarHBondContact O-N 3.44Å |
| 99 | L | 98.2 | Very high | 97.5 | Very high | 80 Ų | 80 | 96.3 Ų | 96.3 | 42% | 0.419 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 176.8 | -68.1 | 173.8 | 0 | 0 | 0 | 112.1 | H95 V96 L97 E102 T103 | H95-L99 PolarHBondContact O-N 2.88Å; H95-L99 VanDerWaalsContact O-N 3.12Å; V96-L99 PolarHBondContact O-N 3.21Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L97-L99 PolarHBondContact O-N 2.83Å; L99-E102 PolarHBondContact O-N 2.9Å; L99-T103 WeakPolarHBondContact O-CB 3.43Å; L99-T103 PolarHBondContact O-N 3.21Å; L99-T103 PolarHBondContact O-OG1 2.89Å |
| 100 | V | 98.3 | Very high | 97.6 | Very high | 85 Ų | 85 | 96.5 Ų | 96.5 | 52% | 0.515 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 176 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | V96 L97 T103 Y104 | V96-V100 HydrophobicContact CG1-CG2 4.42Å; V96-V100 WeakPolarHBondContact O-CG2 3.37Å; V96-V100 PolarHBondContact O-N 3.39Å; L97-V100 PolarHBondContact O-N 3.35Å; V100-T103 PolarHBondContact O-N 3.41Å; V100-Y104 WeakPolarHBondContact O-CB 3.35Å; V100-Y104 PolarHBondContact O-N 2.92Å |
| 101 | E | 98.2 | Very high | 97.7 | Very high | 97 Ų | 97 | 99.1 Ų | 99.1 | 45% | 0.453 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -43.2 | 176.1 | -75.1 | -174.7 | 179.7 | 0 | 0 | 112.4 | L97 S98 Y104 K105 | L97-E101 WeakPolarHBondContact O-CG 3.48Å; L97-E101 PolarHBondContact O-N 3.49Å; S98-E101 PolarHBondContact O-N 3Å; E101-Y104 PolarHBondContact O-N 3.17Å; E101-K105 VanDerWaalsContact O-CG 3.32Å; E101-K105 WeakPolarHBondContact O-CG 3.5Å; E101-K105 PolarHBondContact O-N 3.27Å |
| 102 | E | 98.5 | Very high | 97.8 | Very high | 109 Ų | 109 | 101.2 Ų | 101.2 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 175.1 | -177.7 | 170.1 | -159.5 | 0 | 0 | 111.3 | S98 L99 Y104 K105 I106 | S98-E102 WeakPolarHBondContact O-CB 3.38Å; S98-E102 PolarHBondContact O-N 3.44Å; L99-E102 PolarHBondContact O-N 2.9Å; E102-Y104 VanDerWaalsContact C-N 3.29Å; E102-Y104 PolarHBondContact O-N 2.86Å; E102-K105 WeakPolarHBondContact O-CB 3.4Å; E102-K105 PolarHBondContact O-N 2.96Å; E102-K105 VanDerWaalsContact O-N 3.16Å; E102-I106 HydrophobicContact CG-CD1 4.09Å; E102-I106 WeakPolarHBondContact O-CG1 3.33Å; E102-I106 PolarHBondContact O-N 3.45Å |
| 103 | T | 98.5 | Very high | 98.1 | Very high | 65 Ų | 65 | 100.4 Ų | 100.4 | 40% | 0.399 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.1 | -41.5 | 176.5 | -61 | 0 | 0 | 0 | 0 | 111.5 | L99 V100 I106 R107 | L99-T103 WeakPolarHBondContact O-CB 3.43Å; L99-T103 PolarHBondContact O-N 3.21Å; L99-T103 PolarHBondContact O-OG1 2.89Å; V100-T103 PolarHBondContact O-N 3.41Å; T103-I106 PolarHBondContact O-N 3.44Å; T103-R107 WeakPolarHBondContact O-CB 3.47Å; T103-R107 WeakPolarHBondContact O-CG 3.32Å; T103-R107 PolarHBondContact O-N 3.35Å |
| 104 | Y | 98.7 | Very high | 98.2 | Very high | 155 Ų | 155 | 104.1 Ų | 104.1 | 61% | 0.608 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.7 | -45.7 | 175.9 | 177.5 | -100.9 | 0 | 0 | 0 | 111.8 | V100 E101 E102 I106 R107 L108 | V100-Y104 WeakPolarHBondContact O-CB 3.35Å; V100-Y104 PolarHBondContact O-N 2.92Å; E101-Y104 PolarHBondContact O-N 3.17Å; E102-Y104 VanDerWaalsContact C-N 3.29Å; E102-Y104 PolarHBondContact O-N 2.86Å; Y104-I106 PolarHBondContact O-N 2.95Å; Y104-R107 PolarHBondContact O-N 3.37Å; Y104-L108 WeakPolarHBondContact O-CB 3.39Å; Y104-L108 PolarHBondContact O-N 3.34Å |
| 105 | K | 98.7 | Very high | 98.2 | Very high | 123 Ų | 123 | 105.4 Ų | 105.4 | 54% | 0.535 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.6 | -45.5 | 176 | -73.7 | 169 | -175.6 | 167.1 | 0 | 111.6 | E101 E102 L108 Q109 | E101-K105 VanDerWaalsContact O-CG 3.32Å; E101-K105 WeakPolarHBondContact O-CG 3.5Å; E101-K105 PolarHBondContact O-N 3.27Å; E102-K105 WeakPolarHBondContact O-CB 3.4Å; E102-K105 PolarHBondContact O-N 2.96Å; E102-K105 VanDerWaalsContact O-N 3.16Å; K105-L108 PolarHBondContact O-N 3.48Å; K105-Q109 WeakPolarHBondContact O-CG 3.28Å; K105-Q109 PolarHBondContact O-N 3.48Å |
| 106 | I | 98.7 | Very high | 98.4 | Very high | 88 Ų | 88 | 103.6 Ų | 103.6 | 45% | 0.451 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 177.2 | -66.6 | 167.5 | 0 | 0 | 0 | 110.6 | E102 T103 Y104 L108 Q109 V110 | E102-I106 HydrophobicContact CG-CD1 4.09Å; E102-I106 WeakPolarHBondContact O-CG1 3.33Å; E102-I106 PolarHBondContact O-N 3.45Å; T103-I106 PolarHBondContact O-N 3.44Å; Y104-I106 PolarHBondContact O-N 2.95Å; I106-L108 VanDerWaalsContact C-N 3.29Å; I106-L108 PolarHBondContact O-N 3.16Å; I106-Q109 PolarHBondContact O-N 2.95Å; I106-V110 HydrophobicContact CG2-CG2 4.35Å; I106-V110 WeakPolarHBondContact O-CG2 3.42Å; I106-V110 PolarHBondContact O-N 2.95Å |
| 107 | R | 98.7 | Very high | 98.4 | Very high | 183 Ų | 183 | 106 Ų | 106 | 69% | 0.691 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.8 | -40.9 | 177.9 | -75.6 | 178 | -179.2 | -171.1 | 2.2 | 112.1 | T103 Y104 V110 A111 | T103-R107 WeakPolarHBondContact O-CB 3.47Å; T103-R107 WeakPolarHBondContact O-CG 3.32Å; T103-R107 PolarHBondContact O-N 3.35Å; Y104-R107 PolarHBondContact O-N 3.37Å; R107-V110 PolarHBondContact O-N 2.76Å; R107-A111 WeakPolarHBondContact O-CB 3.41Å; R107-A111 PolarHBondContact O-N 3.25Å |
| 108 | L | 98.6 | Very high | 98.5 | Very high | 104 Ų | 104 | 104.2 Ų | 104.2 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 176.5 | -174.9 | 64.5 | 0 | 0 | 0 | 111.7 | Y104 K105 I106 A111 K112 | Y104-L108 WeakPolarHBondContact O-CB 3.39Å; Y104-L108 PolarHBondContact O-N 3.34Å; K105-L108 PolarHBondContact O-N 3.48Å; I106-L108 VanDerWaalsContact C-N 3.29Å; I106-L108 PolarHBondContact O-N 3.16Å; L108-A111 PolarHBondContact O-N 3.27Å; L108-K112 PolarHBondContact O-N 3.09Å |
| 109 | Q | 98.6 | Very high | 98.6 | Very high | 117 Ų | 117 | 105.8 Ų | 105.8 | 55% | 0.547 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 175.2 | -71.6 | 179.9 | 9.6 | 0 | 0 | 111.8 | K105 I106 A111 K112 H113 | K105-Q109 WeakPolarHBondContact O-CG 3.28Å; K105-Q109 PolarHBondContact O-N 3.48Å; I106-Q109 PolarHBondContact O-N 2.95Å; Q109-A111 VanDerWaalsContact C-N 3.34Å; Q109-A111 PolarHBondContact O-N 2.95Å; Q109-K112 WeakPolarHBondContact O-CB 3.5Å; Q109-K112 PolarHBondContact O-N 3.05Å; Q109-H113 PolarHBondContact O-N 2.89Å; Q109-H113 VanDerWaalsContact O-N 3.07Å; Q109-H113 PolarHBondContact O-ND1 3.34Å |
| 110 | V | 98.8 | Very high | 98.6 | Very high | 77 Ų | 77 | 106.4 Ų | 106.4 | 47% | 0.467 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 176.9 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | I106 R107 K112 H113 R114 | I106-V110 HydrophobicContact CG2-CG2 4.35Å; I106-V110 WeakPolarHBondContact O-CG2 3.42Å; I106-V110 PolarHBondContact O-N 2.95Å; R107-V110 PolarHBondContact O-N 2.76Å; V110-K112 VanDerWaalsContact C-N 3.32Å; V110-K112 PolarHBondContact O-N 3.46Å; V110-H113 PolarHBondContact O-N 3.35Å; V110-R114 HydrophobicContact CG1-CG 4.34Å; V110-R114 VanDerWaalsContact O-CG 3.31Å; V110-R114 WeakPolarHBondContact O-CG 3.39Å; V110-R114 PolarHBondContact O-N 3.42Å |
| 111 | A | 98.7 | Very high | 98.6 | Very high | 55 Ų | 55 | 106.8 Ų | 106.8 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R107 L108 Q109 R114 M115 | R107-A111 WeakPolarHBondContact O-CB 3.41Å; R107-A111 PolarHBondContact O-N 3.25Å; L108-A111 PolarHBondContact O-N 3.27Å; Q109-A111 VanDerWaalsContact C-N 3.34Å; Q109-A111 PolarHBondContact O-N 2.95Å; A111-R114 PolarHBondContact O-N 2.93Å; A111-M115 PolarHBondContact O-N 2.95Å |
| 112 | K | 98.7 | Very high | 98.6 | Very high | 123 Ų | 123 | 106 Ų | 106 | 54% | 0.535 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.8 | -52.4 | 174.9 | 179.4 | -178.8 | 169.8 | -177.8 | 0 | 111.9 | L108 Q109 V110 R114 M115 E116 | L108-K112 PolarHBondContact O-N 3.09Å; Q109-K112 WeakPolarHBondContact O-CB 3.5Å; Q109-K112 PolarHBondContact O-N 3.05Å; V110-K112 VanDerWaalsContact C-N 3.32Å; V110-K112 PolarHBondContact O-N 3.46Å; K112-R114 VanDerWaalsContact C-N 3.33Å; K112-R114 PolarHBondContact O-N 3.07Å; K112-M115 WeakPolarHBondContact O-CB 3.17Å; K112-M115 PolarHBondContact O-N 3Å; K112-M115 VanDerWaalsContact O-N 3.17Å; K112-E116 WeakPolarHBondContact CE-OE1 3.41Å; K112-E116 IonicContact NZ-OE1 3.25Å; K112-E116 WeakPolarHBondContact O-CG 3.31Å; K112-E116 PolarHBondContact O-N 3.32Å |
| 113 | H | 98.7 | Very high | 98.6 | Very high | 88 Ų | 88 | 104.9 Ų | 104.9 | 41% | 0.407 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -37.5 | 179.7 | -67.8 | 89.3 | 0 | 0 | 0 | 112.3 | Q109 V110 M115 E116 F117 | Q109-H113 PolarHBondContact O-N 2.89Å; Q109-H113 VanDerWaalsContact O-N 3.07Å; Q109-H113 PolarHBondContact O-ND1 3.34Å; V110-H113 PolarHBondContact O-N 3.35Å; H113-M115 VanDerWaalsContact C-N 3.31Å; H113-M115 PolarHBondContact O-N 3.01Å; H113-E116 IonicContact CD2-OE2 3.81Å; H113-E116 PolarHBondContact O-N 3.02Å; H113-F117 HydrophobicContact CB-CE2 4.26Å; H113-F117 WeakPolarHBondContact O-CD2 3.45Å; H113-F117 WeakPolarHBondContact O-CG 3.26Å; H113-F117 PolarHBondContact O-N 3.26Å |
| 114 | R | 98.6 | Very high | 98.6 | Very high | 188 Ų | 188 | 107.5 Ų | 107.5 | 71% | 0.709 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.5 | -40.2 | 175.1 | -73.1 | 179.8 | 80.6 | -174.2 | 5.8 | 111.9 | V110 A111 K112 A118 | V110-R114 HydrophobicContact CG1-CG 4.34Å; V110-R114 VanDerWaalsContact O-CG 3.31Å; V110-R114 WeakPolarHBondContact O-CG 3.39Å; V110-R114 PolarHBondContact O-N 3.42Å; A111-R114 PolarHBondContact O-N 2.93Å; K112-R114 VanDerWaalsContact C-N 3.33Å; K112-R114 PolarHBondContact O-N 3.07Å; R114-A118 WeakPolarHBondContact O-CB 3.45Å; R114-A118 PolarHBondContact O-N 3.37Å |
| 115 | M | 98.6 | Very high | 98.6 | Very high | 116 Ų | 116 | 105.7 Ų | 105.7 | 57% | 0.571 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.5 | -45.4 | 175.3 | -174.6 | -174.6 | 75.6 | 0 | 0 | 111.5 | A111 K112 H113 F117 A118 L119 | A111-M115 PolarHBondContact O-N 2.95Å; K112-M115 WeakPolarHBondContact O-CB 3.17Å; K112-M115 PolarHBondContact O-N 3Å; K112-M115 VanDerWaalsContact O-N 3.17Å; H113-M115 VanDerWaalsContact C-N 3.31Å; H113-M115 PolarHBondContact O-N 3.01Å; M115-F117 PolarHBondContact O-N 3.47Å; M115-A118 PolarHBondContact O-N 3.43Å; M115-L119 HydrophobicContact CG-CD1 4.46Å; M115-L119 WeakPolarHBondContact O-CG 3.35Å; M115-L119 PolarHBondContact O-N 2.98Å |
| 116 | E | 98.7 | Very high | 98.6 | Very high | 83 Ų | 83 | 104.6 Ų | 104.6 | 39% | 0.388 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60 | -45.2 | 177.2 | -71.2 | 169 | 176.8 | 0 | 0 | 111.6 | K112 H113 L119 E120 | K112-E116 WeakPolarHBondContact CE-OE1 3.41Å; K112-E116 IonicContact NZ-OE1 3.25Å; K112-E116 WeakPolarHBondContact O-CG 3.31Å; K112-E116 PolarHBondContact O-N 3.32Å; H113-E116 IonicContact CD2-OE2 3.81Å; H113-E116 PolarHBondContact O-N 3.02Å; E116-L119 PolarHBondContact O-N 3.49Å; E116-E120 WeakPolarHBondContact O-CB 3.4Å; E116-E120 PolarHBondContact O-N 3.43Å |
| 117 | F | 98.7 | Very high | 98.6 | Very high | 133 Ų | 133 | 104.5 Ų | 104.5 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.4 | -37.3 | 175.9 | -68.6 | -42.9 | 0 | 0 | 0 | 113.3 | H113 M115 E120 I121 | H113-F117 HydrophobicContact CB-CE2 4.26Å; H113-F117 WeakPolarHBondContact O-CD2 3.45Å; H113-F117 WeakPolarHBondContact O-CG 3.26Å; H113-F117 PolarHBondContact O-N 3.26Å; M115-F117 PolarHBondContact O-N 3.47Å; F117-E120 PolarHBondContact O-N 3.41Å; F117-I121 WeakPolarHBondContact O-CB 3.26Å; F117-I121 WeakPolarHBondContact O-CD1 2.88Å; F117-I121 VanDerWaalsContact O-CG1 3.23Å; F117-I121 WeakPolarHBondContact O-CG1 3.45Å; F117-I121 PolarHBondContact O-N 3.04Å |
| 118 | A | 98.6 | Very high | 98.6 | Very high | 53 Ų | 53 | 100 Ų | 100 | 44% | 0.438 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R114 M115 I121 T122 | R114-A118 WeakPolarHBondContact O-CB 3.45Å; R114-A118 PolarHBondContact O-N 3.37Å; M115-A118 PolarHBondContact O-N 3.43Å; A118-I121 PolarHBondContact O-N 2.92Å; A118-T122 PolarHBondContact O-N 3.02Å; A118-T122 PolarHBondContact O-OG1 3.28Å; A118-T122 VanDerWaalsContact O-OG1 3.13Å |
| 119 | L | 98.7 | Very high | 98.6 | Very high | 100 Ų | 100 | 100.3 Ų | 100.3 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 175.3 | -72.6 | 172.4 | 0 | 0 | 0 | 112.2 | M115 E116 I121 T122 N123 | M115-L119 HydrophobicContact CG-CD1 4.46Å; M115-L119 WeakPolarHBondContact O-CG 3.35Å; M115-L119 PolarHBondContact O-N 2.98Å; E116-L119 PolarHBondContact O-N 3.49Å; L119-I121 VanDerWaalsContact C-N 3.32Å; L119-I121 PolarHBondContact O-N 3.47Å; L119-T122 PolarHBondContact O-N 3.48Å; L119-N123 WeakPolarHBondContact O-CB 3.39Å; L119-N123 VanDerWaalsContact O-CG 3.29Å; L119-N123 PolarHBondContact O-N 2.86Å; L119-N123 PolarHBondContact O-ND2 3.42Å |
| 120 | E | 98.7 | Very high | 98.6 | Very high | 92 Ų | 92 | 99.4 Ų | 99.4 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 176.8 | -178.6 | 70.8 | -170.3 | 0 | 0 | 111.9 | E116 F117 K124 | E116-E120 WeakPolarHBondContact O-CB 3.4Å; E116-E120 PolarHBondContact O-N 3.43Å; F117-E120 PolarHBondContact O-N 3.41Å; E120-K124 HydrophobicContact CG-CD 4.41Å; E120-K124 WeakPolarHBondContact O-CG 3.43Å; E120-K124 PolarHBondContact O-N 2.87Å; E120-K124 WeakPolarHBondContact OE1-CE 3.23Å; E120-K124 IonicContact OE1-NZ 4Å; E120-K124 PolarHBondContact OE1-NZ 3.43Å |
| 121 | I | 98.5 | Very high | 98.6 | Very high | 93 Ų | 93 | 101.4 Ų | 101.4 | 48% | 0.477 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.2 | -50.1 | 175.8 | -70.4 | 165 | 0 | 0 | 0 | 110.2 | F117 A118 L119 N123 K124 E125 | F117-I121 WeakPolarHBondContact O-CB 3.26Å; F117-I121 WeakPolarHBondContact O-CD1 2.88Å; F117-I121 VanDerWaalsContact O-CG1 3.23Å; F117-I121 WeakPolarHBondContact O-CG1 3.45Å; F117-I121 PolarHBondContact O-N 3.04Å; A118-I121 PolarHBondContact O-N 2.92Å; L119-I121 VanDerWaalsContact C-N 3.32Å; L119-I121 PolarHBondContact O-N 3.47Å; I121-N123 VanDerWaalsContact C-N 3.3Å; I121-N123 PolarHBondContact O-N 3.35Å; I121-K124 PolarHBondContact O-N 2.92Å; I121-K124 VanDerWaalsContact O-N 3.11Å; I121-E125 HydrophobicContact CG2-CG 4.33Å; I121-E125 WeakPolarHBondContact O-CG 3.31Å; I121-E125 PolarHBondContact O-N 3.24Å |
| 122 | T | 98.6 | Very high | 98.6 | Very high | 81 Ų | 81 | 102.2 Ų | 102.2 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.2 | -39.2 | 179.1 | -60.3 | 0 | 0 | 0 | 0 | 112.3 | A118 L119 E125 L126 | A118-T122 PolarHBondContact O-N 3.02Å; A118-T122 PolarHBondContact O-OG1 3.28Å; A118-T122 VanDerWaalsContact O-OG1 3.13Å; L119-T122 PolarHBondContact O-N 3.48Å; T122-E125 PolarHBondContact O-N 2.95Å; T122-L126 PolarHBondContact O-N 3.37Å |
| 123 | N | 98.6 | Very high | 98.6 | Very high | 86 Ų | 86 | 100.9 Ų | 100.9 | 46% | 0.46 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 174.7 | -74.1 | -20.3 | 0 | 0 | 0 | 111.6 | L119 I121 L126 D127 | L119-N123 WeakPolarHBondContact O-CB 3.39Å; L119-N123 VanDerWaalsContact O-CG 3.29Å; L119-N123 PolarHBondContact O-N 2.86Å; L119-N123 PolarHBondContact O-ND2 3.42Å; I121-N123 VanDerWaalsContact C-N 3.3Å; I121-N123 PolarHBondContact O-N 3.35Å; N123-L126 WeakPolarHBondContact O-CB 3.46Å; N123-L126 PolarHBondContact O-N 3.07Å; N123-D127 PolarHBondContact O-N 2.9Å |
| 124 | K | 98.6 | Very high | 98.6 | Very high | 120 Ų | 120 | 102.5 Ų | 102.5 | 52% | 0.522 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.8 | -37.6 | 176.9 | -77.2 | 172.2 | 178.6 | 152.3 | 0 | 113.1 | E120 I121 D127 N128 | E120-K124 HydrophobicContact CG-CD 4.41Å; E120-K124 WeakPolarHBondContact O-CG 3.43Å; E120-K124 PolarHBondContact O-N 2.87Å; E120-K124 WeakPolarHBondContact OE1-CE 3.23Å; E120-K124 IonicContact OE1-NZ 4Å; E120-K124 PolarHBondContact OE1-NZ 3.43Å; I121-K124 PolarHBondContact O-N 2.92Å; I121-K124 VanDerWaalsContact O-N 3.11Å; K124-D127 PolarHBondContact O-N 3.27Å; K124-N128 VanDerWaalsContact O-CB 3.3Å; K124-N128 WeakPolarHBondContact O-CB 3.49Å; K124-N128 PolarHBondContact O-N 3.49Å |
| 125 | E | 98.5 | Very high | 98.5 | Very high | 116 Ų | 116 | 96.9 Ų | 96.9 | 54% | 0.542 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 173.6 | -72.4 | 172.2 | 164.6 | 0 | 0 | 110.5 | I121 T122 N128 E129 | I121-E125 HydrophobicContact CG2-CG 4.33Å; I121-E125 WeakPolarHBondContact O-CG 3.31Å; I121-E125 PolarHBondContact O-N 3.24Å; T122-E125 PolarHBondContact O-N 2.95Å; E125-N128 PolarHBondContact O-N 3.31Å; E125-E129 WeakPolarHBondContact O-CG 3.39Å; E125-E129 PolarHBondContact O-N 3.4Å |
| 126 | L | 98.6 | Very high | 98.5 | Very high | 100 Ų | 100 | 94.6 Ų | 94.6 | 52% | 0.524 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.5 | -47 | 175 | 179.1 | 63.5 | 0 | 0 | 0 | 112.2 | T122 N123 N128 E129 L130 | T122-L126 PolarHBondContact O-N 3.37Å; N123-L126 WeakPolarHBondContact O-CB 3.46Å; N123-L126 PolarHBondContact O-N 3.07Å; L126-N128 VanDerWaalsContact C-N 3.27Å; L126-N128 PolarHBondContact O-N 2.99Å; L126-E129 PolarHBondContact O-N 3.43Å; L126-L130 HydrophobicContact CD1-CG 4.46Å; L126-L130 HydrophobicContact CG-CD1 4.28Å; L126-L130 WeakPolarHBondContact O-CG 3.27Å; L126-L130 PolarHBondContact O-N 3.28Å |
| 127 | D | 98.6 | Very high | 98.5 | Very high | 87 Ų | 87 | 94.7 Ų | 94.7 | 47% | 0.465 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.1 | -35.8 | 178.4 | -75.3 | -18.7 | 0 | 0 | 0 | 112.1 | N123 K124 Q131 | N123-D127 PolarHBondContact O-N 2.9Å; K124-D127 PolarHBondContact O-N 3.27Å; D127-Q131 VanDerWaalsContact O-CG 3.32Å; D127-Q131 WeakPolarHBondContact O-CG 3.47Å; D127-Q131 PolarHBondContact O-N 2.94Å; D127-Q131 VanDerWaalsContact O-N 3.11Å; D127-Q131 PolarHBondContact O-NE2 3.37Å |
| 128 | N | 98.4 | Very high | 98.5 | Very high | 88 Ų | 88 | 92.5 Ų | 92.5 | 47% | 0.471 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.1 | -49.8 | 175.7 | -172 | -18.7 | 0 | 0 | 0 | 111.2 | K124 E125 L126 L130 Q131 I132 | K124-N128 VanDerWaalsContact O-CB 3.3Å; K124-N128 WeakPolarHBondContact O-CB 3.49Å; K124-N128 PolarHBondContact O-N 3.49Å; E125-N128 PolarHBondContact O-N 3.31Å; L126-N128 VanDerWaalsContact C-N 3.27Å; L126-N128 PolarHBondContact O-N 2.99Å; N128-L130 VanDerWaalsContact C-N 3.3Å; N128-L130 PolarHBondContact O-N 3.44Å; N128-Q131 WeakPolarHBondContact O-CB 3.48Å; N128-Q131 PolarHBondContact O-N 3.35Å; N128-Q131 VanDerWaalsContact O-N 3.07Å; N128-I132 WeakPolarHBondContact O-CG1 3.37Å; N128-I132 PolarHBondContact O-N 3.17Å; N128-I132 VanDerWaalsContact OD1-CD1 3.3Å; N128-I132 WeakPolarHBondContact OD1-CD1 3.24Å |
| 129 | E | 98.5 | Very high | 98.5 | Very high | 111 Ų | 111 | 96.4 Ų | 96.4 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.1 | -40.4 | 177 | -72.2 | -62.3 | 154 | 0 | 0 | 112.2 | E125 L126 Q131 I132 I133 | E125-E129 WeakPolarHBondContact O-CG 3.39Å; E125-E129 PolarHBondContact O-N 3.4Å; L126-E129 PolarHBondContact O-N 3.43Å; E129-Q131 VanDerWaalsContact C-N 3.35Å; E129-Q131 PolarHBondContact O-N 3.06Å; E129-I132 PolarHBondContact O-N 3.47Å; E129-I133 VanDerWaalsContact O-CG1 3.29Å; E129-I133 WeakPolarHBondContact O-CG1 3.48Å; E129-I133 PolarHBondContact O-N 2.87Å |
| 130 | L | 98.6 | Very high | 98.4 | Very high | 97 Ų | 97 | 100.1 Ų | 100.1 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 174.3 | -73.3 | 174.3 | 0 | 0 | 0 | 112.2 | L126 N128 Q134 | L126-L130 HydrophobicContact CD1-CG 4.46Å; L126-L130 HydrophobicContact CG-CD1 4.28Å; L126-L130 WeakPolarHBondContact O-CG 3.27Å; L126-L130 PolarHBondContact O-N 3.28Å; N128-L130 VanDerWaalsContact C-N 3.3Å; N128-L130 PolarHBondContact O-N 3.44Å; L130-Q134 VanDerWaalsContact O-CB 3.32Å; L130-Q134 WeakPolarHBondContact O-CB 3.49Å; L130-Q134 PolarHBondContact O-N 2.99Å |
| 131 | Q | 98.5 | Very high | 98.4 | Very high | 119 Ų | 119 | 100.3 Ų | 100.3 | 56% | 0.556 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.5 | -42.1 | 176.3 | -76 | 172.2 | 54.9 | 0 | 0 | 112 | D127 N128 E129 Q134 C135 | D127-Q131 VanDerWaalsContact O-CG 3.32Å; D127-Q131 WeakPolarHBondContact O-CG 3.47Å; D127-Q131 PolarHBondContact O-N 2.94Å; D127-Q131 VanDerWaalsContact O-N 3.11Å; D127-Q131 PolarHBondContact O-NE2 3.37Å; N128-Q131 WeakPolarHBondContact O-CB 3.48Å; N128-Q131 PolarHBondContact O-N 3.35Å; N128-Q131 VanDerWaalsContact O-N 3.07Å; E129-Q131 VanDerWaalsContact C-N 3.35Å; E129-Q131 PolarHBondContact O-N 3.06Å; Q131-Q134 PolarHBondContact O-N 3.41Å; Q131-C135 PolarHBondContact O-N 2.91Å; Q131-C135 PolarHBondContact O-SG 2.9Å |
| 132 | I | 98.3 | Very high | 98.4 | Very high | 72 Ų | 72 | 101.5 Ų | 101.5 | 37% | 0.369 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.5 | -51.8 | 176.2 | -68.3 | 168.6 | 0 | 0 | 0 | 109.9 | N128 E129 Q134 C135 D136 | N128-I132 WeakPolarHBondContact O-CG1 3.37Å; N128-I132 PolarHBondContact O-N 3.17Å; N128-I132 VanDerWaalsContact OD1-CD1 3.3Å; N128-I132 WeakPolarHBondContact OD1-CD1 3.24Å; E129-I132 PolarHBondContact O-N 3.47Å; I132-Q134 VanDerWaalsContact C-N 3.28Å; I132-Q134 PolarHBondContact O-N 3.26Å; I132-C135 PolarHBondContact O-N 2.87Å; I132-C135 VanDerWaalsContact O-N 3.16Å; I132-D136 WeakPolarHBondContact O-CB 3.35Å; I132-D136 PolarHBondContact O-N 3.35Å |
| 133 | I | 98.3 | Very high | 98.4 | Very high | 96 Ų | 96 | 100.6 Ų | 100.6 | 49% | 0.492 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.9 | -42.1 | 178.8 | -67.5 | 165.5 | 0 | 0 | 0 | 111 | E129 D136 V137 | E129-I133 VanDerWaalsContact O-CG1 3.29Å; E129-I133 WeakPolarHBondContact O-CG1 3.48Å; E129-I133 PolarHBondContact O-N 2.87Å; I133-D136 PolarHBondContact O-N 3.43Å; I133-V137 HydrophobicContact CG2-CG2 4.35Å; I133-V137 WeakPolarHBondContact O-CB 3.45Å; I133-V137 VanDerWaalsContact O-CG2 3.26Å; I133-V137 WeakPolarHBondContact O-CG2 3.38Å; I133-V137 PolarHBondContact O-N 3.38Å |
| 134 | Q | 98.5 | Very high | 98.4 | Very high | 122 Ų | 122 | 98.5 Ų | 98.5 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.2 | -43.5 | 178 | -175.3 | 178 | 1.2 | 0 | 0 | 111.9 | L130 Q131 I132 N138 | L130-Q134 VanDerWaalsContact O-CB 3.32Å; L130-Q134 WeakPolarHBondContact O-CB 3.49Å; L130-Q134 PolarHBondContact O-N 2.99Å; Q131-Q134 PolarHBondContact O-N 3.41Å; I132-Q134 VanDerWaalsContact C-N 3.28Å; I132-Q134 PolarHBondContact O-N 3.26Å; Q134-N138 WeakPolarHBondContact O-CB 3.4Å; Q134-N138 PolarHBondContact O-N 2.99Å; Q134-N138 PolarHBondContact O-ND2 2.91Å; Q134-N138 VanDerWaalsContact O-ND2 3.16Å |
| 135 | C | 98.2 | Very high | 98.4 | Very high | 69 Ų | 69 | 97.9 Ų | 97.9 | 47% | 0.466 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.4 | -48.3 | 175.6 | -66.2 | 0 | 0 | 0 | 0 | 111 | Q131 I132 V137 N138 E139 | Q131-C135 PolarHBondContact O-N 2.91Å; Q131-C135 PolarHBondContact O-SG 2.9Å; I132-C135 PolarHBondContact O-N 2.87Å; I132-C135 VanDerWaalsContact O-N 3.16Å; C135-V137 VanDerWaalsContact C-N 3.34Å; C135-V137 PolarHBondContact O-N 2.9Å; C135-N138 PolarHBondContact O-N 3.41Å; C135-E139 WeakPolarHBondContact O-CG 3.37Å; C135-E139 PolarHBondContact O-N 3.49Å |
| 136 | D | 98.3 | Very high | 98.4 | Very high | 68 Ų | 68 | 96.3 Ų | 96.3 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.8 | -44.8 | 177.9 | -86.2 | 20 | 0 | 0 | 0 | 112.4 | I132 I133 E139 R140 | I132-D136 WeakPolarHBondContact O-CB 3.35Å; I132-D136 PolarHBondContact O-N 3.35Å; I133-D136 PolarHBondContact O-N 3.43Å; D136-E139 PolarHBondContact O-N 2.87Å; D136-R140 WeakPolarHBondContact O-CB 3.46Å; D136-R140 VanDerWaalsContact O-CG 3.23Å; D136-R140 WeakPolarHBondContact O-CG 3.44Å; D136-R140 PolarHBondContact O-N 2.92Å |
| 137 | V | 98.3 | Very high | 98.4 | Very high | 85 Ų | 85 | 97.7 Ų | 97.7 | 52% | 0.515 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 178.1 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | I133 C135 R140 L141 | I133-V137 HydrophobicContact CG2-CG2 4.35Å; I133-V137 WeakPolarHBondContact O-CB 3.45Å; I133-V137 VanDerWaalsContact O-CG2 3.26Å; I133-V137 WeakPolarHBondContact O-CG2 3.38Å; I133-V137 PolarHBondContact O-N 3.38Å; C135-V137 VanDerWaalsContact C-N 3.34Å; C135-V137 PolarHBondContact O-N 2.9Å; V137-R140 PolarHBondContact O-N 2.93Å; V137-L141 WeakPolarHBondContact O-CB 3.5Å; V137-L141 PolarHBondContact O-N 2.97Å |
| 138 | N | 98.3 | Very high | 98.4 | Very high | 88 Ų | 88 | 98.7 Ų | 98.7 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 177.8 | -72.5 | -26 | 0 | 0 | 0 | 111.9 | Q134 C135 L141 L142 | Q134-N138 WeakPolarHBondContact O-CB 3.4Å; Q134-N138 PolarHBondContact O-N 2.99Å; Q134-N138 PolarHBondContact O-ND2 2.91Å; Q134-N138 VanDerWaalsContact O-ND2 3.16Å; C135-N138 PolarHBondContact O-N 3.41Å; N138-L141 PolarHBondContact O-N 3.4Å; N138-L142 WeakPolarHBondContact O-CB 3.01Å; N138-L142 PolarHBondContact O-N 3.2Å |
| 139 | E | 98.2 | Very high | 98.4 | Very high | 135 Ų | 135 | 99.9 Ų | 99.9 | 63% | 0.631 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.1 | -41 | 176.8 | -73.7 | -173.4 | 177 | 0 | 0 | 112.1 | C135 D136 L142 S143 | C135-E139 WeakPolarHBondContact O-CG 3.37Å; C135-E139 PolarHBondContact O-N 3.49Å; D136-E139 PolarHBondContact O-N 2.87Å; E139-L142 PolarHBondContact O-N 3.04Å; E139-S143 WeakPolarHBondContact O-CB 3.49Å; E139-S143 PolarHBondContact O-N 3.3Å |
| 140 | R | 98.2 | Very high | 98.4 | Very high | 178 Ų | 178 | 98 Ų | 98 | 67% | 0.672 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.7 | -41.2 | 175.4 | -72.5 | 175.2 | -166 | -163.8 | 8 | 112.1 | D136 V137 S143 A144 | D136-R140 WeakPolarHBondContact O-CB 3.46Å; D136-R140 VanDerWaalsContact O-CG 3.23Å; D136-R140 WeakPolarHBondContact O-CG 3.44Å; D136-R140 PolarHBondContact O-N 2.92Å; V137-R140 PolarHBondContact O-N 2.93Å; R140-S143 PolarHBondContact O-N 3.19Å; R140-A144 WeakPolarHBondContact O-CB 3.47Å; R140-A144 PolarHBondContact O-N 3.4Å |
| 141 | L | 98.4 | Very high | 98.3 | Very high | 96 Ų | 96 | 96.9 Ų | 96.9 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.1 | -49.8 | 175.8 | -179.2 | 65.1 | 0 | 0 | 0 | 110.7 | V137 N138 S143 A144 E145 | V137-L141 WeakPolarHBondContact O-CB 3.5Å; V137-L141 PolarHBondContact O-N 2.97Å; N138-L141 PolarHBondContact O-N 3.4Å; L141-S143 VanDerWaalsContact C-N 3.31Å; L141-S143 PolarHBondContact O-N 3.18Å; L141-A144 PolarHBondContact O-N 3.37Å; L141-A144 VanDerWaalsContact O-N 3.13Å; L141-E145 WeakPolarHBondContact O-CG 3.39Å; L141-E145 PolarHBondContact O-N 2.99Å |
| 142 | L | 98.3 | Very high | 98.3 | Very high | 118 Ų | 118 | 96.7 Ų | 96.7 | 62% | 0.618 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.7 | -42.3 | 178 | -170.4 | 78.8 | 0 | 0 | 0 | 111.8 | N138 E139 E145 E146 | N138-L142 WeakPolarHBondContact O-CB 3.01Å; N138-L142 PolarHBondContact O-N 3.2Å; E139-L142 PolarHBondContact O-N 3.04Å; L142-E145 PolarHBondContact O-N 3.35Å; L142-E146 WeakPolarHBondContact O-CB 3.47Å; L142-E146 PolarHBondContact O-N 3.39Å |
| 143 | S | 98.2 | Very high | 98.3 | Very high | 61 Ų | 61 | 97.6 Ų | 97.6 | 43% | 0.427 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 176.1 | -175.8 | 0 | 0 | 0 | 0 | 112.2 | E139 R140 L141 E146 Q147 | E139-S143 WeakPolarHBondContact O-CB 3.49Å; E139-S143 PolarHBondContact O-N 3.3Å; R140-S143 PolarHBondContact O-N 3.19Å; L141-S143 VanDerWaalsContact C-N 3.31Å; L141-S143 PolarHBondContact O-N 3.18Å; S143-E146 PolarHBondContact O-N 2.72Å; S143-Q147 VanDerWaalsContact O-CG 3.29Å; S143-Q147 WeakPolarHBondContact O-CG 3.37Å; S143-Q147 PolarHBondContact O-N 2.93Å |
| 144 | A | 98.4 | Very high | 98.2 | Very high | 42 Ų | 42 | 99.7 Ų | 99.7 | 35% | 0.347 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R140 L141 E146 Q147 I148 | R140-A144 WeakPolarHBondContact O-CB 3.47Å; R140-A144 PolarHBondContact O-N 3.4Å; L141-A144 PolarHBondContact O-N 3.37Å; L141-A144 VanDerWaalsContact O-N 3.13Å; A144-E146 VanDerWaalsContact C-N 3.33Å; A144-E146 PolarHBondContact O-N 2.88Å; A144-Q147 PolarHBondContact O-N 3.32Å; A144-I148 WeakPolarHBondContact O-CG1 3.39Å; A144-I148 PolarHBondContact O-N 3Å |
| 145 | E | 98.5 | Very high | 98.2 | Very high | 108 Ų | 108 | 96.9 Ų | 96.9 | 51% | 0.505 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 174 | -72.7 | 178.6 | 169.6 | 0 | 0 | 111.4 | L141 L142 I148 R149 | L141-E145 WeakPolarHBondContact O-CG 3.39Å; L141-E145 PolarHBondContact O-N 2.99Å; L142-E145 PolarHBondContact O-N 3.35Å; E145-I148 PolarHBondContact O-N 3.45Å; E145-R149 WeakPolarHBondContact O-CB 3.34Å; E145-R149 PolarHBondContact O-N 3.37Å |
| 146 | E | 98.5 | Very high | 98.2 | Very high | 82 Ų | 82 | 98.1 Ų | 98.1 | 38% | 0.383 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 177.5 | 179.1 | 62.2 | -173.2 | 0 | 0 | 112.2 | L142 S143 A144 I148 R149 L150 | L142-E146 WeakPolarHBondContact O-CB 3.47Å; L142-E146 PolarHBondContact O-N 3.39Å; S143-E146 PolarHBondContact O-N 2.72Å; A144-E146 VanDerWaalsContact C-N 3.33Å; A144-E146 PolarHBondContact O-N 2.88Å; E146-I148 PolarHBondContact O-N 3.11Å; E146-R149 VanDerWaalsContact CD-NH2 3.29Å; E146-R149 WeakPolarHBondContact O-CB 3.44Å; E146-R149 PolarHBondContact O-N 2.89Å; E146-R149 IonicContact OE1-CZ 2.72Å; E146-R149 IonicContact OE1-NE 3.4Å; E146-R149 IonicContact OE1-NH2 3.92Å; E146-R149 PolarHBondContact OE1-NH2 3.33Å; E146-R149 IonicContact OE2-CZ 2.63Å; E146-R149 IonicContact OE2-NE 3.55Å; E146-R149 PolarHBondContact OE2-NE 3.35Å; E146-R149 IonicContact OE2-NH2 3.69Å; E146-R149 PolarHBondContact OE2-NH2 3.05Å; E146-L150 HydrophobicContact CG-CD1 4.24Å; E146-L150 WeakPolarHBondContact O-CB 3.3Å; E146-L150 WeakPolarHBondContact O-CG 3.43Å; E146-L150 PolarHBondContact O-N 2.91Å |
| 147 | Q | 98.4 | Very high | 98.1 | Very high | 129 Ų | 129 | 97.9 Ų | 97.9 | 60% | 0.603 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.2 | -43.2 | 174.6 | -74.5 | 174.8 | 22 | 0 | 0 | 112 | S143 A144 L150 S151 | S143-Q147 VanDerWaalsContact O-CG 3.29Å; S143-Q147 WeakPolarHBondContact O-CG 3.37Å; S143-Q147 PolarHBondContact O-N 2.93Å; A144-Q147 PolarHBondContact O-N 3.32Å; Q147-L150 PolarHBondContact O-N 3.32Å; Q147-S151 WeakPolarHBondContact O-CB 3.29Å; Q147-S151 PolarHBondContact O-N 3.34Å |
| 148 | I | 98.4 | Very high | 98.1 | Very high | 108 Ų | 108 | 100.2 Ų | 100.2 | 55% | 0.554 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.3 | -44.7 | 175.4 | -68.2 | 166.2 | 0 | 0 | 0 | 110.1 | A144 E145 E146 L150 S151 L152 | A144-I148 WeakPolarHBondContact O-CG1 3.39Å; A144-I148 PolarHBondContact O-N 3Å; E145-I148 PolarHBondContact O-N 3.45Å; E146-I148 PolarHBondContact O-N 3.11Å; I148-L150 PolarHBondContact O-N 3.47Å; I148-S151 PolarHBondContact O-N 3.46Å; I148-L152 HydrophobicContact CG2-CD1 4Å; I148-L152 HydrophobicContact CG2-CG 4.4Å; I148-L152 WeakPolarHBondContact O-CB 3.49Å; I148-L152 WeakPolarHBondContact O-CG 3.36Å; I148-L152 PolarHBondContact O-N 3.03Å |
| 149 | R | 98.4 | Very high | 98 | Very high | 113 Ų | 113 | 101 Ų | 101 | 43% | 0.426 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 178.4 | -168.2 | -165.9 | 65.9 | 66.6 | -0.4 | 111.8 | E145 E146 L152 Q153 | E145-R149 WeakPolarHBondContact O-CB 3.34Å; E145-R149 PolarHBondContact O-N 3.37Å; E146-R149 VanDerWaalsContact CD-NH2 3.29Å; E146-R149 WeakPolarHBondContact O-CB 3.44Å; E146-R149 PolarHBondContact O-N 2.89Å; E146-R149 IonicContact OE1-CZ 2.72Å; E146-R149 IonicContact OE1-NE 3.4Å; E146-R149 IonicContact OE1-NH2 3.92Å; E146-R149 PolarHBondContact OE1-NH2 3.33Å; E146-R149 IonicContact OE2-CZ 2.63Å; E146-R149 IonicContact OE2-NE 3.55Å; E146-R149 PolarHBondContact OE2-NE 3.35Å; E146-R149 IonicContact OE2-NH2 3.69Å; E146-R149 PolarHBondContact OE2-NH2 3.05Å; R149-L152 PolarHBondContact O-N 3.01Å; R149-Q153 WeakPolarHBondContact O-CB 3.32Å; R149-Q153 PolarHBondContact O-N 3.13Å |
| 150 | L | 98.2 | Very high | 97.9 | Very high | 73 Ų | 73 | 97.3 Ų | 97.3 | 38% | 0.382 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 177.1 | -71.7 | 172.5 | 0 | 0 | 0 | 111.7 | E146 Q147 I148 L152 Q153 E154 | E146-L150 HydrophobicContact CG-CD1 4.24Å; E146-L150 WeakPolarHBondContact O-CB 3.3Å; E146-L150 WeakPolarHBondContact O-CG 3.43Å; E146-L150 PolarHBondContact O-N 2.91Å; Q147-L150 PolarHBondContact O-N 3.32Å; I148-L150 PolarHBondContact O-N 3.47Å; L150-L152 VanDerWaalsContact C-N 3.35Å; L150-L152 PolarHBondContact O-N 3.1Å; L150-Q153 WeakPolarHBondContact O-CB 3.32Å; L150-Q153 PolarHBondContact O-N 2.85Å; L150-Q153 VanDerWaalsContact O-N 3.14Å; L150-E154 WeakPolarHBondContact O-CG 3.45Å; L150-E154 PolarHBondContact O-N 3.49Å |
| 151 | S | 98.3 | Very high | 97.7 | Very high | 72 Ų | 72 | 96.5 Ų | 96.5 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 176.6 | 177.1 | 0 | 0 | 0 | 0 | 112.4 | Q147 I148 E154 S155 | Q147-S151 WeakPolarHBondContact O-CB 3.29Å; Q147-S151 PolarHBondContact O-N 3.34Å; I148-S151 PolarHBondContact O-N 3.46Å; S151-E154 PolarHBondContact O-N 3.38Å; S151-S155 WeakPolarHBondContact O-CB 3.3Å; S151-S155 PolarHBondContact O-N 2.94Å |
| 152 | L | 97.9 | Very high | 97.6 | Very high | 115 Ų | 115 | 95.7 Ų | 95.7 | 60% | 0.602 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.1 | -40.1 | 174.9 | -71 | 174.7 | 0 | 0 | 0 | 112.1 | I148 R149 L150 S155 L156 | I148-L152 HydrophobicContact CG2-CD1 4Å; I148-L152 HydrophobicContact CG2-CG 4.4Å; I148-L152 WeakPolarHBondContact O-CB 3.49Å; I148-L152 WeakPolarHBondContact O-CG 3.36Å; I148-L152 PolarHBondContact O-N 3.03Å; R149-L152 PolarHBondContact O-N 3.01Å; L150-L152 VanDerWaalsContact C-N 3.35Å; L150-L152 PolarHBondContact O-N 3.1Å; L152-S155 PolarHBondContact O-N 3.1Å; L152-L156 WeakPolarHBondContact O-CB 3.44Å; L152-L156 PolarHBondContact O-N 3.44Å |
| 153 | Q | 97.9 | Very high | 97.5 | Very high | 91 Ų | 91 | 98.4 Ų | 98.4 | 43% | 0.425 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 177 | -175.8 | 177.1 | -8.9 | 0 | 0 | 111.8 | R149 L150 L156 C157 | R149-Q153 WeakPolarHBondContact O-CB 3.32Å; R149-Q153 PolarHBondContact O-N 3.13Å; L150-Q153 WeakPolarHBondContact O-CB 3.32Å; L150-Q153 PolarHBondContact O-N 2.85Å; L150-Q153 VanDerWaalsContact O-N 3.14Å; Q153-L156 PolarHBondContact O-N 3.38Å; Q153-C157 PolarHBondContact O-N 2.92Å; Q153-C157 PolarHBondContact O-SG 3.34Å |
| 154 | E | 97.2 | Very high | 97.2 | Very high | 140 Ų | 140 | 97 Ų | 97 | 65% | 0.654 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.3 | -45.4 | 174.7 | -73.5 | 178 | 179.3 | 0 | 0 | 111.6 | L150 S151 L156 C157 K158 | L150-E154 WeakPolarHBondContact O-CG 3.45Å; L150-E154 PolarHBondContact O-N 3.49Å; S151-E154 PolarHBondContact O-N 3.38Å; E154-L156 VanDerWaalsContact C-N 3.35Å; E154-L156 PolarHBondContact O-N 3.32Å; E154-C157 PolarHBondContact O-N 3.07Å; E154-K158 WeakPolarHBondContact O-CB 3.35Å; E154-K158 PolarHBondContact O-N 3.49Å |
| 155 | S | 97.8 | Very high | 96.9 | Very high | 63 Ų | 63 | 96.1 Ų | 96.1 | 44% | 0.441 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.2 | -44.6 | 176.1 | -175.6 | 0 | 0 | 0 | 0 | 111.9 | S151 L152 K158 L159 | S151-S155 WeakPolarHBondContact O-CB 3.3Å; S151-S155 PolarHBondContact O-N 2.94Å; L152-S155 PolarHBondContact O-N 3.1Å; S155-K158 PolarHBondContact O-N 3.42Å; S155-L159 WeakPolarHBondContact O-CG 3.5Å; S155-L159 PolarHBondContact O-N 3.03Å |
| 156 | L | 97.2 | Very high | 96.5 | Very high | 95 Ų | 95 | 97.1 Ų | 97.1 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 177 | -175.7 | 147.1 | 0 | 0 | 0 | 111.9 | L152 Q153 E154 K158 L159 Q160 | L152-L156 WeakPolarHBondContact O-CB 3.44Å; L152-L156 PolarHBondContact O-N 3.44Å; Q153-L156 PolarHBondContact O-N 3.38Å; E154-L156 VanDerWaalsContact C-N 3.35Å; E154-L156 PolarHBondContact O-N 3.32Å; L156-K158 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 3.33Å; L156-L159 PolarHBondContact O-N 3.43Å; L156-Q160 HydrophobicContact CD2-CG 4.36Å; L156-Q160 VanDerWaalsContact CD2-NE2 3.25Å; L156-Q160 VanDerWaalsContact O-CG 3.29Å; L156-Q160 WeakPolarHBondContact O-CG 3.33Å; L156-Q160 PolarHBondContact O-N 2.99Å |
| 157 | C | 97.2 | Very high | 96.1 | Very high | 64 Ų | 64 | 100.1 Ų | 100.1 | 43% | 0.432 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 175.4 | -67.3 | 0 | 0 | 0 | 0 | 111.7 | Q153 E154 Q160 Y161 | Q153-C157 PolarHBondContact O-N 2.92Å; Q153-C157 PolarHBondContact O-SG 3.34Å; E154-C157 PolarHBondContact O-N 3.07Å; C157-Q160 PolarHBondContact O-N 2.96Å; C157-Y161 PolarHBondContact O-N 2.89Å |
| 158 | K | 97.3 | Very high | 95.5 | Very high | 134 Ų | 134 | 101.2 Ų | 101.2 | 58% | 0.583 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.9 | -48.1 | 176.7 | -175.7 | -179.3 | 175 | -174.6 | 0 | 111.5 | E154 S155 L156 Q160 Y161 E162 | E154-K158 WeakPolarHBondContact O-CB 3.35Å; E154-K158 PolarHBondContact O-N 3.49Å; S155-K158 PolarHBondContact O-N 3.42Å; L156-K158 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 3.33Å; K158-Q160 VanDerWaalsContact C-N 3.31Å; K158-Q160 PolarHBondContact O-N 3.38Å; K158-Y161 PolarHBondContact O-N 3.29Å; K158-E162 WeakPolarHBondContact CE-OE1 3.45Å; K158-E162 WeakPolarHBondContact O-CB 3.29Å; K158-E162 WeakPolarHBondContact O-CG 3.44Å; K158-E162 PolarHBondContact O-N 3.43Å |
| 159 | L | 96.8 | Very high | 94.8 | Very high | 104 Ų | 104 | 103.1 Ų | 103.1 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 177.2 | -73.7 | 171.9 | 0 | 0 | 0 | 112.4 | S155 L156 R163 | S155-L159 WeakPolarHBondContact O-CG 3.5Å; S155-L159 PolarHBondContact O-N 3.03Å; L156-L159 PolarHBondContact O-N 3.43Å; L159-R163 VanDerWaalsContact O-CB 3.28Å; L159-R163 WeakPolarHBondContact O-CB 3.26Å; L159-R163 PolarHBondContact O-N 3.33Å |
| 160 | Q | 95.9 | Very high | 93.8 | Very high | 58 Ų | 58 | 101.1 Ų | 101.1 | 27% | 0.271 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.3 | -44.2 | 174.8 | -75.4 | 175.6 | -12.4 | 0 | 0 | 111.9 | L156 C157 K158 R163 A164 | L156-Q160 HydrophobicContact CD2-CG 4.36Å; L156-Q160 VanDerWaalsContact CD2-NE2 3.25Å; L156-Q160 VanDerWaalsContact O-CG 3.29Å; L156-Q160 WeakPolarHBondContact O-CG 3.33Å; L156-Q160 PolarHBondContact O-N 2.99Å; C157-Q160 PolarHBondContact O-N 2.96Å; K158-Q160 VanDerWaalsContact C-N 3.31Å; K158-Q160 PolarHBondContact O-N 3.38Å; Q160-R163 PolarHBondContact O-N 3.32Å; Q160-A164 WeakPolarHBondContact O-CB 3.46Å; Q160-A164 PolarHBondContact O-N 3.48Å |
| 161 | Y | 95.4 | Very high | 92.2 | Very high | 161 Ų | 161 | 102.1 Ų | 102.1 | 63% | 0.631 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.6 | -45.7 | 175.7 | -179.8 | -94.5 | 0 | 0 | 0 | 111.7 | C157 K158 A164 A165 | C157-Y161 PolarHBondContact O-N 2.89Å; K158-Y161 PolarHBondContact O-N 3.29Å; Y161-A164 PolarHBondContact O-N 3.47Å; Y161-A165 VanDerWaalsContact O-CB 3.29Å; Y161-A165 WeakPolarHBondContact O-CB 3.45Å; Y161-A165 PolarHBondContact O-N 3.01Å |
| 162 | E | 95.7 | Very high | 90.5 | Very high | 78 Ų | 78 | 106.6 Ų | 106.6 | 36% | 0.364 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 176.2 | -74.5 | 174.7 | 179.5 | 0 | 0 | 111.2 | K158 A164 A165 H166 | K158-E162 WeakPolarHBondContact CE-OE1 3.45Å; K158-E162 WeakPolarHBondContact O-CB 3.29Å; K158-E162 WeakPolarHBondContact O-CG 3.44Å; K158-E162 PolarHBondContact O-N 3.43Å; E162-A164 PolarHBondContact O-N 2.95Å; E162-A165 PolarHBondContact O-N 2.82Å; E162-H166 WeakPolarHBondContact O-CB 3.23Å; E162-H166 PolarHBondContact O-CD2 3.2Å; E162-H166 PolarHBondContact O-N 3.18Å |
| 163 | R | 94.8 | Very high | 88.3 | Confident | 175 Ų | 175 | 107.4 Ų | 107.4 | 66% | 0.66 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -56.9 | -49.5 | 174.5 | -177.2 | -172.9 | -66.6 | -173.7 | -1.6 | 111.7 | L159 Q160 A165 H166 Q167 | L159-R163 VanDerWaalsContact O-CB 3.28Å; L159-R163 WeakPolarHBondContact O-CB 3.26Å; L159-R163 PolarHBondContact O-N 3.33Å; Q160-R163 PolarHBondContact O-N 3.32Å; R163-A165 VanDerWaalsContact C-N 3.33Å; R163-A165 PolarHBondContact O-N 3.36Å; R163-H166 PolarHBondContact O-N 3.39Å; R163-Q167 PolarHBondContact O-N 3.04Å |
| 164 | A | 93.5 | Very high | 85.8 | Confident | 31 Ų | 31 | 109 Ų | 109 | 26% | 0.256 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q160 Y161 E162 Q167 R168 | Q160-A164 WeakPolarHBondContact O-CB 3.46Å; Q160-A164 PolarHBondContact O-N 3.48Å; Y161-A164 PolarHBondContact O-N 3.47Å; E162-A164 PolarHBondContact O-N 2.95Å; A164-Q167 PolarHBondContact O-N 3.33Å; A164-R168 WeakPolarHBondContact O-CG 3.44Å; A164-R168 PolarHBondContact O-N 3.11Å; A164-R168 VanDerWaalsContact O-N 3.08Å |
| 165 | A | 92 | Very high | 83.4 | Confident | 24 Ų | 24 | 110.4 Ų | 110.4 | 20% | 0.198 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -65.9 | -40.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y161 E162 R163 R168 K169 | Y161-A165 VanDerWaalsContact O-CB 3.29Å; Y161-A165 WeakPolarHBondContact O-CB 3.45Å; Y161-A165 PolarHBondContact O-N 3.01Å; E162-A165 PolarHBondContact O-N 2.82Å; R163-A165 VanDerWaalsContact C-N 3.33Å; R163-A165 PolarHBondContact O-N 3.36Å; A165-R168 PolarHBondContact O-N 2.96Å; A165-K169 WeakPolarHBondContact O-CG 3.42Å; A165-K169 PolarHBondContact O-N 2.89Å; A165-K169 VanDerWaalsContact O-N 3.09Å |
| 166 | H | 90.5 | Very high | 80.9 | Confident | 129 Ų | 129 | 117 Ų | 117 | 60% | 0.597 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.7 | -43.1 | 173.9 | -82.2 | -69.7 | 0 | 0 | 0 | 112.1 | E162 R163 R168 K169 A170 | E162-H166 WeakPolarHBondContact O-CB 3.23Å; E162-H166 PolarHBondContact O-CD2 3.2Å; E162-H166 PolarHBondContact O-N 3.18Å; R163-H166 PolarHBondContact O-N 3.39Å; H166-R168 PolarHBondContact O-N 2.96Å; H166-K169 PolarHBondContact O-N 2.86Å; H166-K169 VanDerWaalsContact O-N 3.13Å; H166-A170 PolarHBondContact O-N 3.27Å |
| 167 | Q | 89.1 | Confident | 78.2 | Confident | 145 Ų | 145 | 120.5 Ų | 120.5 | 68% | 0.678 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.3 | -41.9 | 176.9 | -169.7 | 174.6 | 10.7 | 0 | 0 | 112.1 | R163 A164 K169 A170 S171 | R163-Q167 PolarHBondContact O-N 3.04Å; A164-Q167 PolarHBondContact O-N 3.33Å; Q167-K169 VanDerWaalsContact C-N 3.31Å; Q167-K169 PolarHBondContact O-N 3.33Å; Q167-A170 PolarHBondContact O-N 2.92Å; Q167-S171 PolarHBondContact O-N 3.47Å; Q167-S171 VanDerWaalsContact O-N 3.13Å |
| 168 | R | 85.9 | Confident | 75.9 | Confident | 153 Ų | 153 | 127.4 Ų | 127.4 | 58% | 0.577 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.1 | -26.3 | 174.8 | -69 | -178.8 | -157.5 | 135.9 | 2.6 | 114 | A164 A165 H166 S171 | A164-R168 WeakPolarHBondContact O-CG 3.44Å; A164-R168 PolarHBondContact O-N 3.11Å; A164-R168 VanDerWaalsContact O-N 3.08Å; A165-R168 PolarHBondContact O-N 2.96Å; H166-R168 PolarHBondContact O-N 2.96Å; R168-S171 PolarHBondContact O-OG 2.97Å |
| 169 | K | 84 | Confident | 73.2 | Confident | 147 Ų | 147 | 127 Ų | 127 | 64% | 0.639 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -78.1 | -42.1 | 174.8 | -74.9 | 176.9 | -179 | -179.2 | 0 | 110.9 | A165 H166 Q167 S171 K172 | A165-K169 WeakPolarHBondContact O-CG 3.42Å; A165-K169 PolarHBondContact O-N 2.89Å; A165-K169 VanDerWaalsContact O-N 3.09Å; H166-K169 PolarHBondContact O-N 2.86Å; H166-K169 VanDerWaalsContact O-N 3.13Å; Q167-K169 VanDerWaalsContact C-N 3.31Å; Q167-K169 PolarHBondContact O-N 3.33Å; K169-S171 VanDerWaalsContact C-N 3.3Å; K169-S171 PolarHBondContact O-N 3.49Å; K169-K172 WeakPolarHBondContact O-CB 3.37Å; K169-K172 PolarHBondContact O-N 2.87Å; K169-K172 VanDerWaalsContact O-N 3.16Å |
| 170 | A | 78.2 | Confident | 70.8 | Confident | 71 Ų | 71 | 131.8 Ų | 131.8 | 59% | 0.587 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.1 | -31 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | H166 Q167 K172 | H166-A170 PolarHBondContact O-N 3.27Å; Q167-A170 PolarHBondContact O-N 2.92Å; A170-K172 PolarHBondContact O-N 3.16Å |
| 171 | S | 64.6 | Low | 68.1 | Low | 94 Ų | 94 | 134.3 Ų | 134.3 | 66% | 0.657 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -1.9 | 175.3 | 68.6 | 0 | 0 | 0 | 0 | 114.5 | Q167 R168 K169 | Q167-S171 PolarHBondContact O-N 3.47Å; Q167-S171 VanDerWaalsContact O-N 3.13Å; R168-S171 PolarHBondContact O-OG 2.97Å; K169-S171 VanDerWaalsContact C-N 3.3Å; K169-S171 PolarHBondContact O-N 3.49Å |
| 172 | K | 61 | Low | 65.7 | Low | 167 Ų | 167 | 132.5 Ų | 132.5 | 73% | 0.726 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 1.7 | 178.1 | -73.3 | -175.9 | 178.8 | -172.1 | 0 | 113.9 | K169 A170 P174 | K169-K172 WeakPolarHBondContact O-CB 3.37Å; K169-K172 PolarHBondContact O-N 2.87Å; K169-K172 VanDerWaalsContact O-N 3.16Å; A170-K172 PolarHBondContact O-N 3.16Å; K172-P174 WeakPolarHBondContact O-CD 3.29Å |
| 173 | D | 52 | Low | 63.2 | Low | 131 Ų | 131 | 136.8 Ų | 136.8 | 70% | 0.701 | 68% | 0.678 | S | S | * | * | trans | -87.3 | 108 | 165.4 | -71.3 | -35.3 | 0 | 0 | 0 | 108.7 | E175 | D173-E175 PolarHBondContact O-N 3.17Š| ||
| 174 | P | 45.6 | Very low | 61.2 | Low | 125 Ų | 125 | 136 Ų | 136 | 81% | 0.812 | 68% | 0.682 | S | S | * | * | trans | -87 | 58.6 | -176.4 | 37.6 | -33.4 | 0 | 0 | 0 | 110.2 | K172 | K172-P174 WeakPolarHBondContact O-CD 3.29Š| ||
| 175 | E | 46 | Very low | 58.9 | Low | 170 Ų | 170 | 142.7 Ų | 142.7 | 79% | 0.794 | 70% | 0.701 | S | S | * | * | trans | -146.9 | 81.1 | 168.3 | -73.7 | -166.5 | 174.1 | 0 | 0 | 109.7 | D173 | D173-E175 PolarHBondContact O-N 3.17Š| ||
| 176 | K | 45.9 | Very low | 56.8 | Low | 201 Ų | 201 | 148.5 Ų | 148.5 | 87% | 0.874 | 73% | 0.729 | S | S | * | * | trans | 168.1 | 101.8 | 141.1 | -87.6 | 151.8 | -163.7 | 179.6 | 0 | 110.2 | ||||
| 177 | E | 40.1 | Very low | 54.8 | Low | 169 Ų | 169 | 149.7 Ų | 149.7 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | -47.5 | 135.4 | 146.6 | -75.6 | 174 | 131.7 | 0 | 0 | 108.8 | ||||
| 178 | Y | 50.2 | Low | 53.1 | Low | 209 Ų | 209 | 149.5 Ų | 149.5 | 82% | 0.82 | 73% | 0.734 | S | S | * | * | trans | 168.4 | 96.8 | 138 | -77.8 | -57.3 | 0 | 0 | 0 | 107.7 | ||||
| 179 | T | 39.5 | Very low | 51.5 | Low | 126 Ų | 126 | 149.1 Ų | 149.1 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | trans | 22.4 | 109.7 | 137.4 | 52.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 180 | K | 47.6 | Very low | 50.1 | Low | 204 Ų | 204 | 147.2 Ų | 147.2 | 89% | 0.887 | 75% | 0.746 | S | S | * | * | -169.6 | 128.4 | 128.3 | -105.7 | 164.1 | -174.6 | 179.1 | 0 | 112 | |||||
| 181 | S | 38.3 | Very low | 48.6 | Very low | 110 Ų | 110 | 148.3 Ų | 148.3 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | -35.1 | 127.6 | 170.5 | 53.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 182 | F | 44.4 | Very low | 47.8 | Very low | 123 Ų | 123 | 148.8 Ų | 148.8 | 54% | 0.539 | 75% | 0.75 | S | S | . | * | trans | -148.8 | 68.8 | 156.1 | -156.2 | -82.5 | 0 | 0 | 0 | 110.8 | Q184 Y185 | F182-Q184 VanDerWaalsContact C-N 3.34Å; F182-Q184 VanDerWaalsContact CE1-C 3.43Å; F182-Q184 HydrophobicContact CE1-CB 3.89Å; F182-Q184 WeakPolarHBondContact CE1-O 3.46Å; F182-Q184 HydrophobicContact CZ-CB 3.96Å; F182-Q184 PolarHBondContact O-N 3.05Å; F182-Y185 AromaticContact CD1-CD2 3.73Å; F182-Y185 HydrophobicContact CD1-CD2 3.73Å; F182-Y185 HydrophobicContact CD1-CE2 4Å; F182-Y185 HydrophobicContact CE1-CD1 4.36Å; F182-Y185 AromaticContact CE1-CD2 2.9Å; F182-Y185 HydrophobicContact CE1-CD2 2.9Å; F182-Y185 HydrophobicContact CE1-CE1 4.46Å; F182-Y185 AromaticContact CE1-CE2 3.03Å; F182-Y185 HydrophobicContact CE1-CE2 3.03Å; F182-Y185 AromaticContact CE1-CG 3.59Å; F182-Y185 HydrophobicContact CE1-CG 3.59Å; F182-Y185 AromaticContact CE1-CZ 3.82Å; F182-Y185 AromaticContact CE2-CE2 3.95Å; F182-Y185 HydrophobicContact CE2-CE2 3.95Å; F182-Y185 AromaticContact CZ-CD2 3.45Å; F182-Y185 HydrophobicContact CZ-CD2 3.45Å; F182-Y185 VanDerWaalsContact CZ-CD2 3.45Å; F182-Y185 HydrophobicContact CZ-CE1 4.23Å; F182-Y185 AromaticContact CZ-CE2 2.97Å; F182-Y185 HydrophobicContact CZ-CE2 2.97Å; F182-Y185 HydrophobicContact CZ-CG 4.18Å; F182-Y185 AromaticContact CZ-CZ 3.4Å | ||
| 183 | D | 45.1 | Very low | 47.2 | Very low | 169 Ų | 169 | 148 Ų | 148 | 90% | 0.904 | 75% | 0.753 | S | S | * | * | trans | -83.9 | 74.6 | 161.9 | -75.8 | -37.1 | 0 | 0 | 0 | 108.6 | ||||
| 184 | Q | 51.5 | Low | 47.3 | Very low | 157 Ų | 157 | 148.9 Ų | 148.9 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | -165.2 | 44.5 | 172.4 | -136 | 169.7 | 22.4 | 0 | 0 | 117.2 | F182 | F182-Q184 VanDerWaalsContact C-N 3.34Å; F182-Q184 VanDerWaalsContact CE1-C 3.43Å; F182-Q184 HydrophobicContact CE1-CB 3.89Å; F182-Q184 WeakPolarHBondContact CE1-O 3.46Å; F182-Q184 HydrophobicContact CZ-CB 3.96Å; F182-Q184 PolarHBondContact O-N 3.05Å | ||
| 185 | Y | 45.5 | Very low | 47.9 | Very low | 172 Ų | 172 | 150.2 Ų | 150.2 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | trans | -142.5 | 65.4 | 166.4 | -74.7 | -52.3 | 0 | 0 | 0 | 112 | F182 Y188 | F182-Y185 AromaticContact CD1-CD2 3.73Å; F182-Y185 HydrophobicContact CD1-CD2 3.73Å; F182-Y185 HydrophobicContact CD1-CE2 4Å; F182-Y185 HydrophobicContact CE1-CD1 4.36Å; F182-Y185 AromaticContact CE1-CD2 2.9Å; F182-Y185 HydrophobicContact CE1-CD2 2.9Å; F182-Y185 HydrophobicContact CE1-CE1 4.46Å; F182-Y185 AromaticContact CE1-CE2 3.03Å; F182-Y185 HydrophobicContact CE1-CE2 3.03Å; F182-Y185 AromaticContact CE1-CG 3.59Å; F182-Y185 HydrophobicContact CE1-CG 3.59Å; F182-Y185 AromaticContact CE1-CZ 3.82Å; F182-Y185 AromaticContact CE2-CE2 3.95Å; F182-Y185 HydrophobicContact CE2-CE2 3.95Å; F182-Y185 AromaticContact CZ-CD2 3.45Å; F182-Y185 HydrophobicContact CZ-CD2 3.45Å; F182-Y185 VanDerWaalsContact CZ-CD2 3.45Å; F182-Y185 HydrophobicContact CZ-CE1 4.23Å; F182-Y185 AromaticContact CZ-CE2 2.97Å; F182-Y185 HydrophobicContact CZ-CE2 2.97Å; F182-Y185 HydrophobicContact CZ-CG 4.18Å; F182-Y185 AromaticContact CZ-CZ 3.4Å; Y185-Y188 HydrophobicContact CD1-CE2 4.34Å | ||
| 186 | D | 47.9 | Very low | 48.4 | Very low | 146 Ų | 146 | 147.7 Ų | 147.7 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | trans | -112.6 | 23.5 | 168.8 | -151.7 | 15.1 | 0 | 0 | 0 | 112.7 | ||||
| 187 | N | 48.9 | Very low | 49 | Very low | 155 Ų | 155 | 150 Ų | 150 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | trans | -100.4 | 24.9 | -179 | -77 | -22.1 | 0 | 0 | 0 | 114 | ||||
| 188 | Y | 52.3 | Low | 50 | Low | 141 Ų | 141 | 150.2 Ų | 150.2 | 55% | 0.553 | 75% | 0.753 | S | S | * | * | trans | -105.9 | 26.7 | 177.9 | -71.7 | -71 | 0 | 0 | 0 | 113.8 | Y185 | Y185-Y188 HydrophobicContact CD1-CE2 4.34Š| ||
| 189 | L | 53.8 | Low | 51 | Low | 145 Ų | 145 | 149.1 Ų | 149.1 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -70.4 | 134.2 | 159.5 | -69.5 | 176.3 | 0 | 0 | 0 | 108.6 | S191 | L189-S191 PolarHBondContact O-N 3.37Š|
| 190 | P | 54.7 | Low | 52.3 | Low | 107 Ų | 107 | 149.3 Ų | 149.3 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 119.1 | -179.1 | 20.6 | -25.2 | 0 | 0 | 0 | 108.2 | ||
| 191 | S | 45.2 | Very low | 53.5 | Low | 93 Ų | 93 | 145.2 Ų | 145.2 | 65% | 0.65 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 125.8 | 179.3 | -158.1 | 0 | 0 | 0 | 0 | 108.5 | L189 N193 | L189-S191 PolarHBondContact O-N 3.37Å; S191-N193 PolarHBondContact O-N 3.16Å |
| 192 | P | 49.1 | Very low | 55.1 | Low | 105 Ų | 105 | 146.6 Ų | 146.6 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | trans | -71.6 | 80.2 | 172.5 | 29.6 | -30.4 | 0 | 0 | 0 | 107.4 | L194 | P192-L194 PolarHBondContact O-N 3.33Š| ||
| 193 | N | 47 | Very low | 56.4 | Low | 149 Ų | 149 | 145.3 Ų | 145.3 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | -71.6 | 39.4 | 162.5 | -86.2 | -18.6 | 0 | 0 | 0 | 110.8 | S191 E195 | S191-N193 PolarHBondContact O-N 3.16Å; N193-E195 PolarHBondContact O-N 3.38Å | ||
| 194 | L | 54.5 | Low | 57.9 | Low | 150 Ų | 150 | 140 Ų | 140 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | trans | -79.9 | 88.9 | 150.3 | -65.1 | 176 | 0 | 0 | 0 | 104.5 | P192 P196 | P192-L194 PolarHBondContact O-N 3.33Å; L194-P196 VanDerWaalsContact O-N 3.14Å | ||
| 195 | E | 57.5 | Low | 59.2 | Low | 153 Ų | 153 | 138.9 Ų | 138.9 | 72% | 0.715 | 73% | 0.732 | S | S | * | * | trans | -45.1 | 126.9 | 161.2 | -75.6 | -171.8 | 163.5 | 0 | 0 | 107.2 | N193 R197 | N193-E195 PolarHBondContact O-N 3.38Å; E195-R197 PolarHBondContact O-N 3Å | ||
| 196 | P | 57.1 | Low | 61 | Low | 117 Ų | 117 | 135.6 Ų | 135.6 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | trans | -51.9 | 119 | 177.3 | -23.4 | 31.1 | 0 | 0 | 0 | 107.7 | L194 K198 | L194-P196 VanDerWaalsContact O-N 3.14Å; P196-K198 PolarHBondContact O-N 2.93Å | ||
| 197 | R | 58.5 | Low | 62.4 | Low | 249 Ų | 249 | 131 Ų | 131 | 94% | 0.94 | 71% | 0.711 | S | S | * | * | trans | -41.2 | 108.1 | 176.3 | -86.2 | 178.7 | 142.2 | -164 | -5.5 | 108.3 | E195 K199 | E195-R197 PolarHBondContact O-N 3Å; R197-K199 PolarHBondContact O-N 2.94Å | ||
| 198 | K | 62.4 | Low | 63.8 | Low | 175 Ų | 175 | 129.5 Ų | 129.5 | 76% | 0.761 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 132.9 | 175.8 | -70 | -178.2 | -179.7 | 172.3 | 0 | 107.1 | P196 | P196-K198 PolarHBondContact O-N 2.93Š|
| 199 | K | 69.9 | Low | 64.6 | Low | 186 Ų | 186 | 131 Ų | 131 | 81% | 0.809 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 149.2 | 172.9 | -67.1 | -177.8 | 179.8 | 179.5 | 0 | 108.8 | R197 V201 | R197-K199 PolarHBondContact O-N 2.94Å; K199-V201 PolarHBondContact O-N 3.42Å |
| 200 | P | 66.6 | Low | 65.6 | Low | 129 Ų | 129 | 131 Ų | 131 | 84% | 0.838 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 118.6 | 177.7 | -21.6 | 30 | 0 | 0 | 0 | 109.9 | T202 | P200-T202 PolarHBondContact O-N 2.73Š|
| 201 | V | 72.4 | Confident | 66.5 | Low | 118 Ų | 118 | 131.4 Ų | 131.4 | 72% | 0.715 | 72% | 0.715 | S | S | * | * | trans | -78.9 | 112.9 | 175.5 | 175.7 | 0 | 0 | 0 | 0 | 107 | K199 L203 | K199-V201 PolarHBondContact O-N 3.42Å; V201-L203 PolarHBondContact O-N 2.79Å | ||
| 202 | T | 72.8 | Confident | 68 | Low | 139 Ų | 139 | 135.1 Ų | 135.1 | 85% | 0.853 | 72% | 0.716 | S | S | * | * | trans | -67.4 | 111.7 | 171.8 | -10.3 | 0 | 0 | 0 | 0 | 108.3 | P200 | P200-T202 PolarHBondContact O-N 2.73Š| ||
| 203 | L | 72.1 | Confident | 69.5 | Low | 97 Ų | 97 | 138.9 Ų | 138.9 | 51% | 0.508 | 72% | 0.724 | S | S | . | * | trans | -64.7 | 140.8 | 175.7 | -61.6 | 176.7 | 0 | 0 | 0 | 110.3 | V201 T207 | V201-L203 PolarHBondContact O-N 2.79Å; L203-T207 HydrophobicContact CD1-CG2 4.45Å; L203-T207 HydrophobicContact CD2-CG2 4.48Å | ||
| 204 | S | 76.2 | Confident | 71.2 | Confident | 57 Ų | 57 | 135.7 Ų | 135.7 | 40% | 0.399 | 71% | 0.706 | S | S | . | * | trans | -53.9 | 144.4 | 172 | 170.2 | 0 | 0 | 0 | 0 | 110.2 | S206 T207 | S204-S206 PolarHBondContact O-N 2.94Å; S204-S206 PolarHBondContact OG-N 3.46Å; S204-S206 PolarHBondContact OG-OG 3.36Å; S204-T207 WeakPolarHBondContact O-CB 3.48Å; S204-T207 PolarHBondContact O-N 2.63Å; S204-T207 PolarHBondContact O-OG1 3.25Å | ||
| 205 | P | 78.8 | Confident | 72.8 | Confident | 134 Ų | 134 | 131.6 Ų | 131.6 | 87% | 0.87 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -17.3 | 172.7 | 15.7 | -23.1 | 0 | 0 | 0 | 113.6 | ||
| 206 | S | 82.7 | Confident | 74.3 | Confident | 102 Ų | 102 | 129.4 Ų | 129.4 | 71% | 0.713 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -7.6 | 175.3 | 74.7 | 0 | 0 | 0 | 0 | 114.7 | S204 P208 | S204-S206 PolarHBondContact O-N 2.94Å; S204-S206 PolarHBondContact OG-N 3.46Å; S204-S206 PolarHBondContact OG-OG 3.36Å; S206-P208 WeakPolarHBondContact O-CD 3.39Å |
| 207 | T | 78 | Confident | 76 | Confident | 50 Ų | 50 | 130.4 Ų | 130.4 | 31% | 0.307 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -75.2 | 124.7 | -177.7 | -55.2 | 0 | 0 | 0 | 0 | 109.5 | L203 S204 R209 | L203-T207 HydrophobicContact CD1-CG2 4.45Å; L203-T207 HydrophobicContact CD2-CG2 4.48Å; S204-T207 WeakPolarHBondContact O-CB 3.48Å; S204-T207 PolarHBondContact O-N 2.63Å; S204-T207 PolarHBondContact O-OG1 3.25Å; T207-R209 PolarHBondContact O-N 2.95Å |
| 208 | P | 79 | Confident | 77.6 | Confident | 123 Ų | 123 | 121.7 Ų | 121.7 | 80% | 0.799 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 123.7 | 174.9 | -22.1 | 30.9 | 0 | 0 | 0 | 109.9 | S206 | S206-P208 WeakPolarHBondContact O-CD 3.39Š|
| 209 | R | 68.6 | Low | 78.8 | Confident | 173 Ų | 173 | 117.1 Ų | 117.1 | 65% | 0.653 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 130.4 | 175.8 | -67.3 | -177.8 | -179.7 | -154.3 | -1.1 | 108.3 | T207 V211 | T207-R209 PolarHBondContact O-N 2.95Å; R209-V211 VanDerWaalsContact C-N 3.31Å; R209-V211 HydrophobicContact CB-CG2 4.33Å; R209-V211 PolarHBondContact O-N 3.36Å |
| 210 | L | 74.5 | Confident | 80 | Confident | 146 Ų | 146 | 115.4 Ų | 115.4 | 76% | 0.764 | 62% | 0.618 | S | S | * | * | trans | -65.9 | 97.2 | 162.2 | -69.8 | 167.8 | 0 | 0 | 0 | 107.1 | Y212 | L210-Y212 HydrophobicContact CB-CD2 4.47Å; L210-Y212 HydrophobicContact CB-CE2 4.01Å; L210-Y212 PolarHBondContact O-N 3.41Å | ||
| 211 | V | 73.1 | Confident | 81.3 | Confident | 114 Ų | 114 | 112.1 Ų | 112.1 | 69% | 0.691 | 60% | 0.598 | S | S | * | * | trans | -87.6 | 95.3 | 170.4 | -177.8 | 0 | 0 | 0 | 0 | 106.4 | R209 Q213 | R209-V211 VanDerWaalsContact C-N 3.31Å; R209-V211 HydrophobicContact CB-CG2 4.33Å; R209-V211 PolarHBondContact O-N 3.36Å; V211-Q213 PolarHBondContact O-N 2.95Å | ||
| 212 | Y | 77.7 | Confident | 82.4 | Confident | 172 Ų | 172 | 110.7 Ų | 110.7 | 68% | 0.675 | 59% | 0.586 | S | S | * | * | trans | -66.8 | 106.9 | 168 | -64.9 | -84.5 | 0 | 0 | 0 | 107.7 | L210 I214 | L210-Y212 HydrophobicContact CB-CD2 4.47Å; L210-Y212 HydrophobicContact CB-CE2 4.01Å; L210-Y212 PolarHBondContact O-N 3.41Å; Y212-I214 HydrophobicContact CG-CD1 4.4Å; Y212-I214 PolarHBondContact O-N 3.46Å | ||
| 213 | Q | 80.8 | Confident | 83.4 | Confident | 184 Ų | 184 | 107.6 Ų | 107.6 | 86% | 0.86 | 57% | 0.567 | S | S | * | * | trans | -74.6 | 71.1 | 167.9 | -70.6 | -176.2 | 2.2 | 0 | 0 | 108.4 | V211 | V211-Q213 PolarHBondContact O-N 2.95Š| ||
| 214 | I | 82.5 | Confident | 84.6 | Confident | 81 Ų | 81 | 109.7 Ų | 109.7 | 42% | 0.415 | 57% | 0.574 | S | S | . | * | trans | -88.1 | 122.9 | 173.1 | -60 | 164.2 | 0 | 0 | 0 | 106.5 | Y212 D216 D218 I219 | Y212-I214 HydrophobicContact CG-CD1 4.4Å; Y212-I214 PolarHBondContact O-N 3.46Å; I214-D216 PolarHBondContact O-N 3.43Å; I214-D218 HydrophobicContact CG2-CB 3.8Å; I214-I219 HydrophobicContact CB-CD1 4.25Å; I214-I219 HydrophobicContact CB-CG1 3.96Å; I214-I219 HydrophobicContact CG2-CD1 4.38Å; I214-I219 HydrophobicContact CG2-CG1 3.57Å | ||
| 215 | P | 88.6 | Confident | 85.5 | Confident | 64 Ų | 64 | 112.2 Ų | 112.2 | 42% | 0.416 | 58% | 0.583 | S | S | . | * | trans | -54.8 | 139 | 174.4 | -25.5 | 34.4 | 0 | 0 | 0 | 111.5 | K217 D218 I219 | P215-K217 HydrophobicContact CB-CD 4.37Å; P215-K217 HydrophobicContact CB-CG 3.67Å; P215-K217 PolarHBondContact O-N 2.98Å; P215-D218 WeakPolarHBondContact CD-OD2 3.4Å; P215-D218 WeakPolarHBondContact CG-OD2 3.47Å; P215-D218 PolarHBondContact O-N 3.06Å; P215-I219 PolarHBondContact O-N 3.14Å | ||
| 216 | D | 88.6 | Confident | 86.2 | Confident | 107 Ų | 107 | 110.9 Ų | 110.9 | 57% | 0.572 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -54.7 | -26.5 | -179.3 | -69.2 | -30.5 | 0 | 0 | 0 | 113.6 | I214 R220 | I214-D216 PolarHBondContact O-N 3.43Å; D216-R220 VanDerWaalsContact CB-NH2 3.33Å; D216-R220 WeakPolarHBondContact O-CB 3.4Å; D216-R220 VanDerWaalsContact O-CG 3.28Å; D216-R220 WeakPolarHBondContact O-CG 3.4Å; D216-R220 PolarHBondContact O-N 3.13Å; D216-R220 PolarHBondContact O-NE 2.89Å |
| 217 | K | 91.6 | Very high | 86.8 | Confident | 138 Ų | 138 | 111.2 Ų | 111.2 | 60% | 0.6 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.1 | -40.5 | 174.3 | 54.5 | 164.4 | -167.6 | 178.9 | 0 | 112.5 | P215 R220 S221 | P215-K217 HydrophobicContact CB-CD 4.37Å; P215-K217 HydrophobicContact CB-CG 3.67Å; P215-K217 PolarHBondContact O-N 2.98Å; K217-R220 PolarHBondContact O-N 2.9Å; K217-S221 PolarHBondContact O-N 2.94Å; K217-S221 VanDerWaalsContact O-N 3.09Å |
| 218 | D | 92.4 | Very high | 87.7 | Confident | 66 Ų | 66 | 111.6 Ų | 111.6 | 35% | 0.353 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -78.9 | -39.4 | -175.2 | -57.8 | -25.4 | 0 | 0 | 0 | 108.9 | I214 P215 R220 S221 D222 | I214-D218 HydrophobicContact CG2-CB 3.8Å; P215-D218 WeakPolarHBondContact CD-OD2 3.4Å; P215-D218 WeakPolarHBondContact CG-OD2 3.47Å; P215-D218 PolarHBondContact O-N 3.06Å; D218-R220 VanDerWaalsContact C-N 3.31Å; D218-R220 PolarHBondContact O-N 2.97Å; D218-S221 PolarHBondContact O-N 3.47Å; D218-D222 PolarHBondContact O-N 2.87Å |
| 219 | I | 89.1 | Confident | 88.5 | Confident | 80 Ų | 80 | 108.4 Ų | 108.4 | 41% | 0.41 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -56.2 | -46.2 | 171 | -55.5 | 178.1 | 0 | 0 | 0 | 110.8 | I214 P215 D222 V223 | I214-I219 HydrophobicContact CB-CD1 4.25Å; I214-I219 HydrophobicContact CB-CG1 3.96Å; I214-I219 HydrophobicContact CG2-CD1 4.38Å; I214-I219 HydrophobicContact CG2-CG1 3.57Å; P215-I219 PolarHBondContact O-N 3.14Å; I219-D222 PolarHBondContact O-N 3.41Å; I219-V223 VanDerWaalsContact O-CG2 3.26Å; I219-V223 WeakPolarHBondContact O-CG2 3.35Å; I219-V223 PolarHBondContact O-N 3.47Å |
| 220 | R | 93.4 | Very high | 89.7 | Confident | 150 Ų | 150 | 103.4 Ų | 103.4 | 57% | 0.566 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64 | -44.1 | 179.1 | -78.4 | -176.2 | -75.9 | -102.3 | 1.6 | 112.4 | D216 K217 D218 D222 V223 E224 | D216-R220 VanDerWaalsContact CB-NH2 3.33Å; D216-R220 WeakPolarHBondContact O-CB 3.4Å; D216-R220 VanDerWaalsContact O-CG 3.28Å; D216-R220 WeakPolarHBondContact O-CG 3.4Å; D216-R220 PolarHBondContact O-N 3.13Å; D216-R220 PolarHBondContact O-NE 2.89Å; K217-R220 PolarHBondContact O-N 2.9Å; D218-R220 VanDerWaalsContact C-N 3.31Å; D218-R220 PolarHBondContact O-N 2.97Å; R220-D222 VanDerWaalsContact C-N 3.34Å; R220-D222 PolarHBondContact O-N 3.33Å; R220-V223 PolarHBondContact O-N 2.98Å; R220-E224 PolarHBondContact O-N 3.48Å |
| 221 | S | 94.7 | Very high | 90.7 | Very high | 59 Ų | 59 | 103.8 Ų | 103.8 | 41% | 0.413 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -57.9 | -46.5 | 176.1 | 178.7 | 0 | 0 | 0 | 0 | 111.6 | K217 D218 V223 E224 L225 | K217-S221 PolarHBondContact O-N 2.94Å; K217-S221 VanDerWaalsContact O-N 3.09Å; D218-S221 PolarHBondContact O-N 3.47Å; S221-V223 PolarHBondContact O-N 3.25Å; S221-E224 PolarHBondContact O-N 3.48Å; S221-L225 WeakPolarHBondContact O-CG 3.34Å; S221-L225 PolarHBondContact O-N 3.34Å |
| 222 | D | 94.5 | Very high | 91.7 | Very high | 89 Ų | 89 | 106.4 Ų | 106.4 | 48% | 0.476 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 179.1 | -76.3 | -4.2 | 0 | 0 | 0 | 112.2 | D218 I219 R220 E224 L225 I226 | D218-D222 PolarHBondContact O-N 2.87Å; I219-D222 PolarHBondContact O-N 3.41Å; R220-D222 VanDerWaalsContact C-N 3.34Å; R220-D222 PolarHBondContact O-N 3.33Å; D222-E224 VanDerWaalsContact C-N 3.31Å; D222-E224 PolarHBondContact O-N 3.34Å; D222-L225 PolarHBondContact O-N 3.48Å; D222-I226 WeakPolarHBondContact O-CB 3.33Å; D222-I226 VanDerWaalsContact O-CG1 3.24Å; D222-I226 WeakPolarHBondContact O-CG1 3.36Å; D222-I226 PolarHBondContact O-N 3.3Å |
| 223 | V | 94.7 | Very high | 92.4 | Very high | 74 Ų | 74 | 104.6 Ų | 104.6 | 45% | 0.448 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 175.4 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | I219 R220 S221 I226 L227 | I219-V223 VanDerWaalsContact O-CG2 3.26Å; I219-V223 WeakPolarHBondContact O-CG2 3.35Å; I219-V223 PolarHBondContact O-N 3.47Å; R220-V223 PolarHBondContact O-N 2.98Å; S221-V223 PolarHBondContact O-N 3.25Å; V223-I226 PolarHBondContact O-N 2.88Å; V223-L227 HydrophobicContact CG1-CD1 3.89Å; V223-L227 HydrophobicContact CG1-CG 4.4Å; V223-L227 WeakPolarHBondContact O-CB 3.33Å; V223-L227 VanDerWaalsContact O-CG 3.26Å; V223-L227 WeakPolarHBondContact O-CG 3.44Å; V223-L227 PolarHBondContact O-N 3.45Å |
| 224 | E | 96.3 | Very high | 93 | Very high | 141 Ų | 141 | 102.8 Ų | 102.8 | 66% | 0.659 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.3 | -44.3 | 174.9 | -75.4 | -179.2 | -174.6 | 0 | 0 | 112.1 | R220 S221 D222 I226 L227 A228 | R220-E224 PolarHBondContact O-N 3.48Å; S221-E224 PolarHBondContact O-N 3.48Å; D222-E224 VanDerWaalsContact C-N 3.31Å; D222-E224 PolarHBondContact O-N 3.34Å; E224-I226 PolarHBondContact O-N 3Å; E224-L227 PolarHBondContact O-N 3.41Å; E224-A228 VanDerWaalsContact O-CB 3.31Å; E224-A228 WeakPolarHBondContact O-CB 3.49Å; E224-A228 PolarHBondContact O-N 2.93Å |
| 225 | L | 95.5 | Very high | 93.5 | Very high | 110 Ų | 110 | 103.2 Ų | 103.2 | 58% | 0.576 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.6 | -44.2 | 176.1 | -72.8 | 171.8 | 0 | 0 | 0 | 111.8 | S221 D222 A228 A229 | S221-L225 WeakPolarHBondContact O-CG 3.34Å; S221-L225 PolarHBondContact O-N 3.34Å; D222-L225 PolarHBondContact O-N 3.48Å; L225-A228 PolarHBondContact O-N 2.91Å; L225-A229 WeakPolarHBondContact O-CB 3.38Å; L225-A229 PolarHBondContact O-N 3.18Å |
| 226 | I | 94.1 | Very high | 93.6 | Very high | 106 Ų | 106 | 102.9 Ų | 102.9 | 54% | 0.544 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.1 | -48 | 177.2 | -68.7 | 164.3 | 0 | 0 | 0 | 110.3 | D222 V223 E224 A228 A229 V230 | D222-I226 WeakPolarHBondContact O-CB 3.33Å; D222-I226 VanDerWaalsContact O-CG1 3.24Å; D222-I226 WeakPolarHBondContact O-CG1 3.36Å; D222-I226 PolarHBondContact O-N 3.3Å; V223-I226 PolarHBondContact O-N 2.88Å; E224-I226 PolarHBondContact O-N 3Å; I226-A228 VanDerWaalsContact C-N 3.33Å; I226-A228 PolarHBondContact O-N 2.96Å; I226-A229 PolarHBondContact O-N 2.98Å; I226-V230 HydrophobicContact CG2-CG2 4.34Å; I226-V230 WeakPolarHBondContact O-CB 3.4Å; I226-V230 VanDerWaalsContact O-CG2 3.27Å; I226-V230 WeakPolarHBondContact O-CG2 3.29Å; I226-V230 PolarHBondContact O-N 3.32Å |
| 227 | L | 95.6 | Very high | 93.7 | Very high | 109 Ų | 109 | 103.2 Ų | 103.2 | 57% | 0.571 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.4 | -40.6 | 178.8 | -73.5 | 171.4 | 0 | 0 | 0 | 111.8 | V223 E224 V230 K231 | V223-L227 HydrophobicContact CG1-CD1 3.89Å; V223-L227 HydrophobicContact CG1-CG 4.4Å; V223-L227 WeakPolarHBondContact O-CB 3.33Å; V223-L227 VanDerWaalsContact O-CG 3.26Å; V223-L227 WeakPolarHBondContact O-CG 3.44Å; V223-L227 PolarHBondContact O-N 3.45Å; E224-L227 PolarHBondContact O-N 3.41Å; L227-V230 PolarHBondContact O-N 2.93Å; L227-K231 WeakPolarHBondContact O-CB 3.5Å; L227-K231 PolarHBondContact O-N 3.42Å |
| 228 | A | 96.4 | Very high | 93.6 | Very high | 57 Ų | 57 | 99.3 Ų | 99.3 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E224 L225 I226 K231 K232 | E224-A228 VanDerWaalsContact O-CB 3.31Å; E224-A228 WeakPolarHBondContact O-CB 3.49Å; E224-A228 PolarHBondContact O-N 2.93Å; L225-A228 PolarHBondContact O-N 2.91Å; I226-A228 VanDerWaalsContact C-N 3.33Å; I226-A228 PolarHBondContact O-N 2.96Å; A228-K231 PolarHBondContact O-N 2.93Å; A228-K232 WeakPolarHBondContact O-CB 3.39Å; A228-K232 PolarHBondContact O-N 2.98Å |
| 229 | A | 95.1 | Very high | 93.5 | Very high | 57 Ų | 57 | 101.8 Ų | 101.8 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | L225 I226 K231 K232 H233 | L225-A229 WeakPolarHBondContact O-CB 3.38Å; L225-A229 PolarHBondContact O-N 3.18Å; I226-A229 PolarHBondContact O-N 2.98Å; A229-K231 VanDerWaalsContact C-N 3.35Å; A229-K231 PolarHBondContact O-N 3.42Å; A229-K232 PolarHBondContact O-N 3.41Å; A229-H233 WeakPolarHBondContact O-CB 3.42Å; A229-H233 PolarHBondContact O-N 3.47Å |
| 230 | V | 95.7 | Very high | 93.4 | Very high | 67 Ų | 67 | 100.3 Ų | 100.3 | 41% | 0.406 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 176.1 | 170.8 | 0 | 0 | 0 | 0 | 111 | I226 L227 H233 K234 | I226-V230 HydrophobicContact CG2-CG2 4.34Å; I226-V230 WeakPolarHBondContact O-CB 3.4Å; I226-V230 VanDerWaalsContact O-CG2 3.27Å; I226-V230 WeakPolarHBondContact O-CG2 3.29Å; I226-V230 PolarHBondContact O-N 3.32Å; L227-V230 PolarHBondContact O-N 2.93Å; V230-H233 PolarHBondContact O-N 3.22Å; V230-K234 HydrophobicContact CG1-CD 4.31Å; V230-K234 WeakPolarHBondContact O-CB 3.38Å; V230-K234 WeakPolarHBondContact O-CG 3.49Å; V230-K234 PolarHBondContact O-N 2.95Å |
| 231 | K | 94.8 | Very high | 93 | Very high | 155 Ų | 155 | 95.6 Ų | 95.6 | 67% | 0.674 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.2 | -45.2 | 176.4 | -171.2 | 176.3 | -178.2 | 179.5 | 0 | 111.4 | L227 A228 A229 H233 K234 L235 | L227-K231 WeakPolarHBondContact O-CB 3.5Å; L227-K231 PolarHBondContact O-N 3.42Å; A228-K231 PolarHBondContact O-N 2.93Å; A229-K231 VanDerWaalsContact C-N 3.35Å; A229-K231 PolarHBondContact O-N 3.42Å; K231-H233 PolarHBondContact O-N 3.37Å; K231-K234 PolarHBondContact O-N 2.95Å; K231-L235 WeakPolarHBondContact O-CB 3.08Å; K231-L235 PolarHBondContact O-N 2.82Å |
| 232 | K | 93.9 | Very high | 92.4 | Very high | 168 Ų | 168 | 99 Ų | 99 | 73% | 0.73 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.7 | -43.5 | 175.7 | -173.7 | 179.6 | 179.3 | -179.3 | 0 | 111.5 | A228 A229 L235 A236 | A228-K232 WeakPolarHBondContact O-CB 3.39Å; A228-K232 PolarHBondContact O-N 2.98Å; A229-K232 PolarHBondContact O-N 3.41Å; K232-L235 PolarHBondContact O-N 2.95Å; K232-A236 WeakPolarHBondContact O-CB 3.29Å; K232-A236 PolarHBondContact O-N 3.39Å |
| 233 | H | 92.6 | Very high | 91.6 | Very high | 135 Ų | 135 | 103.5 Ų | 103.5 | 63% | 0.625 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.6 | -45.4 | 177.8 | -174.5 | 76.5 | 0 | 0 | 0 | 112.1 | A229 V230 K231 L235 A236 F237 | A229-H233 WeakPolarHBondContact O-CB 3.42Å; A229-H233 PolarHBondContact O-N 3.47Å; V230-H233 PolarHBondContact O-N 3.22Å; K231-H233 PolarHBondContact O-N 3.37Å; H233-L235 VanDerWaalsContact C-N 3.31Å; H233-L235 PolarHBondContact O-N 3.3Å; H233-A236 PolarHBondContact O-N 3.46Å; H233-F237 WeakPolarHBondContact O-CB 3.37Å; H233-F237 PolarHBondContact O-N 3.47Å |
| 234 | K | 92.9 | Very high | 90.6 | Very high | 145 Ų | 145 | 105.6 Ų | 105.6 | 63% | 0.63 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -59.3 | -41.9 | 175 | -76.4 | -178.4 | 178.4 | -177.4 | 0 | 112.1 | V230 K231 F237 A238 | V230-K234 HydrophobicContact CG1-CD 4.31Å; V230-K234 WeakPolarHBondContact O-CB 3.38Å; V230-K234 WeakPolarHBondContact O-CG 3.49Å; V230-K234 PolarHBondContact O-N 2.95Å; K231-K234 PolarHBondContact O-N 2.95Å; K234-F237 PolarHBondContact O-N 3.31Å; K234-A238 WeakPolarHBondContact O-CB 3.36Å; K234-A238 PolarHBondContact O-N 2.87Å |
| 235 | L | 92.4 | Very high | 88.9 | Confident | 91 Ų | 91 | 102.1 Ų | 102.1 | 48% | 0.476 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.5 | -42.8 | 179.6 | -156.4 | 155.4 | 0 | 0 | 0 | 111.3 | K231 K232 H233 F237 A238 M239 | K231-L235 WeakPolarHBondContact O-CB 3.08Å; K231-L235 PolarHBondContact O-N 2.82Å; K232-L235 PolarHBondContact O-N 2.95Å; H233-L235 VanDerWaalsContact C-N 3.31Å; H233-L235 PolarHBondContact O-N 3.3Å; L235-F237 PolarHBondContact O-N 3.31Å; L235-A238 PolarHBondContact O-N 3.47Å; L235-M239 HydrophobicContact CD2-CE 3.5Å; L235-M239 VanDerWaalsContact CD2-CE 3.5Å; L235-M239 HydrophobicContact CD2-CG 4.13Å; L235-M239 HydrophobicContact CD2-SD 3.74Å; L235-M239 WeakPolarHBondContact O-CB 3.28Å; L235-M239 WeakPolarHBondContact O-CG 3.49Å; L235-M239 PolarHBondContact O-N 3.46Å |
| 236 | A | 91.4 | Very high | 87.2 | Confident | 56 Ų | 56 | 104.9 Ų | 104.9 | 46% | 0.463 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.3 | -40.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K232 H233 M239 S240 | K232-A236 WeakPolarHBondContact O-CB 3.29Å; K232-A236 PolarHBondContact O-N 3.39Å; H233-A236 PolarHBondContact O-N 3.46Å; A236-M239 PolarHBondContact O-N 3.44Å; A236-S240 PolarHBondContact O-N 3.45Å |
| 237 | F | 91.1 | Very high | 85.3 | Confident | 114 Ų | 114 | 105.1 Ų | 105.1 | 50% | 0.5 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.4 | -44 | 174.6 | -177.1 | -96 | 0 | 0 | 0 | 111.8 | H233 K234 L235 M239 S240 Q241 | H233-F237 WeakPolarHBondContact O-CB 3.37Å; H233-F237 PolarHBondContact O-N 3.47Å; K234-F237 PolarHBondContact O-N 3.31Å; L235-F237 PolarHBondContact O-N 3.31Å; F237-M239 PolarHBondContact O-N 2.9Å; F237-S240 PolarHBondContact O-N 3.13Å; F237-S240 PolarHBondContact O-OG 3.09Å; F237-Q241 HydrophobicContact CD1-CG 4.34Å; F237-Q241 HydrophobicContact CE1-CG 4.06Å; F237-Q241 HydrophobicContact CZ-CG 4.31Å; F237-Q241 VanDerWaalsContact O-CG 3.29Å; F237-Q241 WeakPolarHBondContact O-CG 3.5Å; F237-Q241 PolarHBondContact O-N 3.15Å; F237-Q241 VanDerWaalsContact O-N 3.1Å |
| 238 | A | 88.5 | Confident | 82.8 | Confident | 57 Ų | 57 | 113.2 Ų | 113.2 | 47% | 0.471 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.4 | -42.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | K234 L235 S240 Q241 L242 | K234-A238 WeakPolarHBondContact O-CB 3.36Å; K234-A238 PolarHBondContact O-N 2.87Å; L235-A238 PolarHBondContact O-N 3.47Å; A238-S240 PolarHBondContact O-N 3.08Å; A238-Q241 PolarHBondContact O-N 2.84Å; A238-L242 PolarHBondContact O-N 3.1Å; A238-L242 VanDerWaalsContact O-N 3.1Å |
| 239 | M | 89.8 | Confident | 82.1 | Confident | 117 Ų | 117 | 116.1 Ų | 116.1 | 58% | 0.576 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66 | -35 | 176.8 | -75.4 | -172.4 | 169.2 | 0 | 0 | 113.1 | L235 A236 F237 L242 K243 | L235-M239 HydrophobicContact CD2-CE 3.5Å; L235-M239 VanDerWaalsContact CD2-CE 3.5Å; L235-M239 HydrophobicContact CD2-CG 4.13Å; L235-M239 HydrophobicContact CD2-SD 3.74Å; L235-M239 WeakPolarHBondContact O-CB 3.28Å; L235-M239 WeakPolarHBondContact O-CG 3.49Å; L235-M239 PolarHBondContact O-N 3.46Å; A236-M239 PolarHBondContact O-N 3.44Å; F237-M239 PolarHBondContact O-N 2.9Å; M239-L242 PolarHBondContact O-N 3.13Å; M239-K243 PolarHBondContact O-N 3.43Å |
| 240 | S | 87.1 | Confident | 81.4 | Confident | 49 Ų | 49 | 119.2 Ų | 119.2 | 34% | 0.343 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -70.5 | -36.1 | 176.7 | 71.8 | 0 | 0 | 0 | 0 | 112.1 | A236 F237 A238 K243 N244 | A236-S240 PolarHBondContact O-N 3.45Å; F237-S240 PolarHBondContact O-N 3.13Å; F237-S240 PolarHBondContact O-OG 3.09Å; A238-S240 PolarHBondContact O-N 3.08Å; S240-K243 PolarHBondContact O-N 3.44Å; S240-N244 WeakPolarHBondContact O-CB 3.33Å; S240-N244 PolarHBondContact O-N 3.28Å |
| 241 | Q | 85 | Confident | 80.6 | Confident | 52 Ų | 52 | 122.1 Ų | 122.1 | 24% | 0.243 | 61% | 0.614 | C | S | . | * | H | α-helix | trans | -66.4 | -36.3 | 173.6 | -62.7 | -69.4 | 16.6 | 0 | 0 | 112.3 | F237 A238 K246 I247 | F237-Q241 HydrophobicContact CD1-CG 4.34Å; F237-Q241 HydrophobicContact CE1-CG 4.06Å; F237-Q241 HydrophobicContact CZ-CG 4.31Å; F237-Q241 VanDerWaalsContact O-CG 3.29Å; F237-Q241 WeakPolarHBondContact O-CG 3.5Å; F237-Q241 PolarHBondContact O-N 3.15Å; F237-Q241 VanDerWaalsContact O-N 3.1Å; A238-Q241 PolarHBondContact O-N 2.84Å; Q241-K246 PolarHBondContact O-N 3.24Å; Q241-I247 HydrophobicContact CB-CD1 3.89Å; Q241-I247 HydrophobicContact CB-CG1 4.47Å |
| 242 | L | 82 | Confident | 79.8 | Confident | 131 Ų | 131 | 120.1 Ų | 120.1 | 69% | 0.686 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.5 | -44.7 | 175 | -160.8 | 92.1 | 0 | 0 | 0 | 111.8 | A238 M239 N244 G245 | A238-L242 PolarHBondContact O-N 3.1Å; A238-L242 VanDerWaalsContact O-N 3.1Å; M239-L242 PolarHBondContact O-N 3.13Å; L242-N244 VanDerWaalsContact C-N 3.34Å; L242-N244 PolarHBondContact O-N 3.16Å; L242-G245 PolarHBondContact O-N 3.41Å |
| 243 | K | 79.5 | Confident | 78.9 | Confident | 183 Ų | 183 | 117.1 Ų | 117.1 | 80% | 0.796 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.6 | -32.9 | 178.6 | -78.9 | -174.3 | 178.2 | -176.4 | 0 | 113.3 | M239 S240 G245 | M239-K243 PolarHBondContact O-N 3.43Å; S240-K243 PolarHBondContact O-N 3.44Å; K243-G245 PolarHBondContact O-N 2.91Å |
| 244 | N | 73.8 | Confident | 78 | Confident | 118 Ų | 118 | 115.9 Ų | 115.9 | 63% | 0.631 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 11.4 | -178.8 | -69.7 | -9.7 | 0 | 0 | 0 | 113.6 | S240 L242 K246 | S240-N244 WeakPolarHBondContact O-CB 3.33Å; S240-N244 PolarHBondContact O-N 3.28Å; L242-N244 VanDerWaalsContact C-N 3.34Å; L242-N244 PolarHBondContact O-N 3.16Å; N244-K246 PolarHBondContact O-N 3.02Å |
| 245 | G | 60 | Low | 76.9 | Confident | 68 Ų | 68 | 113.9 Ų | 113.9 | 70% | 0.701 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.2 | 23.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L242 K243 | L242-G245 PolarHBondContact O-N 3.41Å; K243-G245 PolarHBondContact O-N 2.91Å |
| 246 | K | 59.3 | Low | 75.7 | Confident | 167 Ų | 167 | 115.6 Ų | 115.6 | 73% | 0.726 | 61% | 0.609 | S | S | * | * | trans | -95.7 | 4.8 | -176.2 | -78.5 | -169.4 | 176.8 | -178.8 | 0 | 114.9 | Q241 N244 | Q241-K246 PolarHBondContact O-N 3.24Å; N244-K246 PolarHBondContact O-N 3.02Å | ||
| 247 | I | 54.5 | Low | 74.4 | Confident | 111 Ų | 111 | 120.6 Ų | 120.6 | 57% | 0.569 | 62% | 0.622 | S | S | * | * | trans | -140.1 | 110 | 174.7 | -50 | 175.9 | 0 | 0 | 0 | 108.1 | Q241 | Q241-I247 HydrophobicContact CB-CD1 3.89Å; Q241-I247 HydrophobicContact CB-CG1 4.47Å | ||
| 248 | K | 42.6 | Very low | 72.9 | Confident | 280 Ų | 280 | 121.2 Ų | 121.2 | 100% | 1.217 | 63% | 0.633 | S | S | * | * | trans | -88.9 | 0 | 155 | -89.8 | -172.3 | 176.9 | -178.8 | 0 | 108.1 |
Retrieved 248 of 248 residues in 351 ms
(Link to these results)