| 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 | 46.5 | Very low | 44.6 | Very low | 241 Ų | 241 | 187.5 Ų | 187.5 | 100% | 1.187 | 89% | 0.889 | S | S | * | * | 0 | 110.3 | 0 | -75.1 | 175.4 | -168.6 | 0 | 0 | 109.1 | R3 | M1-R3 PolarHBondContact O-N 3.49Š| |||
| 2 | R | 43.5 | Very low | 45 | Very low | 252 Ų | 252 | 183.2 Ų | 183.2 | 95% | 0.951 | 87% | 0.873 | S | S | * | * | trans | -73.9 | 118.1 | 179.3 | -74.3 | 178.4 | 178.7 | 160 | -0.6 | 109.2 | M4 | R2-M4 PolarHBondContact O-N 3.46Š| ||
| 3 | R | 41.1 | Very low | 45.3 | Very low | 251 Ų | 251 | 176.3 Ų | 176.3 | 95% | 0.947 | 85% | 0.853 | S | S | * | * | trans | -77 | 108.4 | 169.1 | -65.5 | -174.7 | -166.4 | -173.7 | 4.5 | 107.9 | M1 | M1-R3 PolarHBondContact O-N 3.49Š| ||
| 4 | M | 42.7 | Very low | 46.1 | Very low | 184 Ų | 184 | 176.7 Ų | 176.7 | 91% | 0.906 | 85% | 0.848 | S | S | * | * | trans | -82 | 118.6 | 166.2 | -73.8 | -129.6 | -111.6 | 0 | 0 | 108.7 | R2 L6 | R2-M4 PolarHBondContact O-N 3.46Å; M4-L6 PolarHBondContact O-N 3.42Å | ||
| 5 | A | 45.8 | Very low | 46.5 | Very low | 80 Ų | 80 | 176.9 Ų | 176.9 | 66% | 0.661 | 85% | 0.848 | S | S | * | * | trans | -75.1 | 114.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | K7 | A5-K7 HydrophobicContact CB-CG 4.31Å; A5-K7 PolarHBondContact O-N 3.46Å | ||
| 6 | L | 43.7 | Very low | 46.3 | Very low | 183 Ų | 183 | 169.8 Ų | 169.8 | 96% | 0.958 | 84% | 0.836 | S | S | * | * | trans | -68.8 | 83.2 | 163.6 | -83.1 | 152 | 0 | 0 | 0 | 108.5 | M4 | M4-L6 PolarHBondContact O-N 3.42Š| ||
| 7 | K | 46.4 | Very low | 46.6 | Very low | 178 Ų | 178 | 168.2 Ų | 168.2 | 77% | 0.774 | 82% | 0.82 | S | S | * | * | trans | -83 | 118.5 | 169.7 | -76.6 | -177.6 | 177.2 | 178.9 | 0 | 108.5 | A5 | A5-K7 HydrophobicContact CB-CG 4.31Å; A5-K7 PolarHBondContact O-N 3.46Å | ||
| 8 | K | 47.4 | Very low | 46.7 | Very low | 194 Ų | 194 | 165.5 Ų | 165.5 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | 75.5 | 76.5 | 158.2 | -52.4 | -172.3 | 179.9 | -173 | 0 | 116.7 | K10 | K8-K10 PolarHBondContact O-N 3.32Š| ||
| 9 | L | 39.3 | Very low | 46.6 | Very low | 175 Ų | 175 | 166.2 Ų | 166.2 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | -73.6 | 98.6 | 147.9 | -145.8 | 82 | 0 | 0 | 0 | 106.6 | V11 | L9-V11 PolarHBondContact O-N 2.9Š| ||
| 10 | K | 49 | Very low | 46.6 | Very low | 193 Ų | 193 | 164.6 Ų | 164.6 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | trans | -72.5 | 111.3 | 173.9 | -141.9 | 171.3 | -178.2 | -179.6 | 0 | 105.9 | K8 I12 | K8-K10 PolarHBondContact O-N 3.32Å; K10-I12 PolarHBondContact O-N 3.16Å; K10-I12 VanDerWaalsContact O-N 3.13Å | ||
| 11 | V | 45 | Very low | 46.6 | Very low | 131 Ų | 131 | 161.2 Ų | 161.2 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -52.8 | 115.1 | 174.6 | 175 | 0 | 0 | 0 | 0 | 108 | L9 P13 | L9-V11 PolarHBondContact O-N 2.9Å; V11-P13 WeakPolarHBondContact O-CD 3.33Å | ||
| 12 | I | 49.8 | Very low | 46.5 | Very low | 136 Ų | 136 | 158 Ų | 158 | 70% | 0.697 | 78% | 0.782 | S | S | * | * | trans | -75.8 | 119.7 | 169.9 | -60.1 | 173.2 | 0 | 0 | 0 | 105.8 | K10 | K10-I12 PolarHBondContact O-N 3.16Å; K10-I12 VanDerWaalsContact O-N 3.13Å | ||
| 13 | P | 48.4 | Very low | 46.7 | Very low | 94 Ų | 94 | 153.3 Ų | 153.3 | 61% | 0.61 | 77% | 0.769 | S | S | * | * | trans | -60.9 | 137 | 175.9 | -17.5 | 30.1 | 0 | 0 | 0 | 110.4 | V11 E15 | V11-P13 WeakPolarHBondContact O-CD 3.33Å; P13-E15 VanDerWaalsContact C-N 3.26Å; P13-E15 PolarHBondContact O-N 3.04Å | ||
| 14 | K | 57.2 | Low | 46.8 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -8.3 | -179 | -77 | -174.1 | 172.4 | -174.7 | 0 | 113.7 | ||
| 15 | E | 52 | Low | 47.1 | Very low | 179 Ų | 179 | 147 Ų | 147 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 14.8 | -178.5 | -80.2 | 74 | -152.9 | 0 | 0 | 115.4 | P13 | P13-E15 VanDerWaalsContact C-N 3.26Å; P13-E15 PolarHBondContact O-N 3.04Å |
| 16 | G | 43.3 | Very low | 47.3 | Very low | 64 Ų | 64 | 151.2 Ų | 151.2 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | trans | -103.8 | 8.8 | -170 | 0 | 0 | 0 | 0 | 0 | 117.7 | L18 | G16-L18 PolarHBondContact O-N 3.23Š| ||
| 17 | Y | 50.3 | Low | 47.6 | Very low | 143 Ų | 143 | 149.7 Ų | 149.7 | 56% | 0.561 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -81.5 | 108.1 | -174.8 | -66 | -80.4 | 0 | 0 | 0 | 111.3 | ||
| 18 | L | 49.1 | Very low | 47.9 | Very low | 119 Ų | 119 | 148.2 Ų | 148.2 | 62% | 0.623 | 76% | 0.757 | S | S | * | * | trans | 76 | 66.4 | 155.6 | -58.9 | 162.5 | 0 | 0 | 0 | 117.3 | G16 L20 | G16-L18 PolarHBondContact O-N 3.23Å; L18-L20 VanDerWaalsContact C-N 3.33Å | ||
| 19 | L | 45.2 | Very low | 47.9 | Very low | 178 Ų | 178 | 147.4 Ų | 147.4 | 93% | 0.932 | 76% | 0.762 | S | S | * | * | trans | -90.4 | 77.6 | 139.9 | -77.3 | 169.9 | 0 | 0 | 0 | 107.5 | ||||
| 20 | L | 46.5 | Very low | 48.6 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 71% | 0.707 | 75% | 0.75 | S | S | * | * | trans | -137.1 | 104.1 | 172.9 | -95.2 | 159.1 | 0 | 0 | 0 | 108.5 | L18 | L18-L20 VanDerWaalsContact C-N 3.33Š| ||
| 21 | L | 46.9 | Very low | 48.4 | Very low | 94 Ų | 94 | 146 Ų | 146 | 49% | 0.492 | 75% | 0.753 | S | S | . | * | trans | 86.5 | 55 | 158.3 | -39.2 | -178.9 | 0 | 0 | 0 | 117.9 | F23 | L21-F23 VanDerWaalsContact C-N 3.33Å; L21-F23 HydrophobicContact CB-CD2 3.97Å; L21-F23 HydrophobicContact CB-CE2 4.35Å; L21-F23 HydrophobicContact CD2-CD2 3.83Å; L21-F23 HydrophobicContact CD2-CE2 3.34Å; L21-F23 HydrophobicContact CD2-CZ 4.47Å; L21-F23 HydrophobicContact CG-CD2 4.46Å; L21-F23 HydrophobicContact CG-CE2 4.4Å; L21-F23 PolarHBondContact O-N 3.39Å | ||
| 22 | D | 44.2 | Very low | 48.6 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 92% | 0.92 | 75% | 0.752 | S | S | * | * | trans | -80.9 | 91.4 | 142.3 | -70.3 | -24 | 0 | 0 | 0 | 106.7 | ||||
| 23 | F | 46.5 | Very low | 48.4 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | trans | -101.3 | 125.1 | 162.5 | -79.6 | -91.6 | 0 | 0 | 0 | 106.7 | L21 | L21-F23 VanDerWaalsContact C-N 3.33Å; L21-F23 HydrophobicContact CB-CD2 3.97Å; L21-F23 HydrophobicContact CB-CE2 4.35Å; L21-F23 HydrophobicContact CD2-CD2 3.83Å; L21-F23 HydrophobicContact CD2-CE2 3.34Å; L21-F23 HydrophobicContact CD2-CZ 4.47Å; L21-F23 HydrophobicContact CG-CD2 4.46Å; L21-F23 HydrophobicContact CG-CE2 4.4Å; L21-F23 PolarHBondContact O-N 3.39Å | ||
| 24 | D | 44.7 | Very low | 48 | Very low | 129 Ų | 129 | 149.4 Ų | 149.4 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | trans | 84.5 | 74.7 | 167.3 | -47.2 | -29.3 | 0 | 0 | 0 | 116.9 | ||||
| 25 | D | 48.6 | Very low | 47.5 | Very low | 175 Ų | 175 | 150 Ų | 150 | 94% | 0.936 | 78% | 0.776 | S | S | * | * | trans | -112.7 | 89.3 | 130.6 | -92 | -26.8 | 0 | 0 | 0 | 106.5 | D27 | D25-D27 PolarHBondContact O-N 2.97Š| ||
| 26 | E | 49 | Very low | 47 | Very low | 168 Ų | 168 | 146 Ų | 146 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -67.9 | 100 | 161.2 | -80.8 | -88.5 | 173.7 | 0 | 0 | 107.1 | ||||
| 27 | D | 51.8 | Low | 47.1 | Very low | 151 Ų | 151 | 151 Ų | 151 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | 176.5 | 68.9 | 150.7 | -86.9 | -28.4 | 0 | 0 | 0 | 108.3 | D25 | D25-D27 PolarHBondContact O-N 2.97Š| ||
| 28 | D | 51.1 | Low | 47 | Very low | 146 Ų | 146 | 150.2 Ų | 150.2 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | trans | -153.9 | 106.5 | 159.8 | -95.4 | -31.2 | 0 | 0 | 0 | 110.9 | I30 | D28-I30 VanDerWaalsContact C-N 3.32Å; D28-I30 HydrophobicContact CB-CD1 4.4Å; D28-I30 HydrophobicContact CB-CG1 4.31Å; D28-I30 PolarHBondContact O-N 3.39Å | ||
| 29 | D | 48.4 | Very low | 46.8 | Very low | 178 Ų | 178 | 153.2 Ų | 153.2 | 95% | 0.952 | 81% | 0.807 | S | S | * | * | trans | -56.9 | 84.9 | 170 | -76.7 | -48 | 0 | 0 | 0 | 111.2 | ||||
| 30 | I | 52.9 | Low | 46.7 | Very low | 128 Ų | 128 | 149.8 Ų | 149.8 | 66% | 0.656 | 79% | 0.794 | S | S | * | * | trans | -108.3 | 101.1 | 173.7 | -56.4 | 178.3 | 0 | 0 | 0 | 109.7 | D28 V32 | D28-I30 VanDerWaalsContact C-N 3.32Å; D28-I30 HydrophobicContact CB-CD1 4.4Å; D28-I30 HydrophobicContact CB-CG1 4.31Å; D28-I30 PolarHBondContact O-N 3.39Å; I30-V32 HydrophobicContact CG2-CG2 3.96Å; I30-V32 PolarHBondContact O-N 3.46Å; I30-V32 VanDerWaalsContact O-N 3.07Å | ||
| 31 | K | 45.9 | Very low | 46.6 | Very low | 209 Ų | 209 | 152.7 Ų | 152.7 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -55.2 | 106.5 | 161.7 | -80.6 | -179.2 | 174.3 | -178.2 | 0 | 109.7 | ||||
| 32 | V | 48 | Very low | 46.7 | Very low | 126 Ų | 126 | 153.9 Ų | 153.9 | 76% | 0.764 | 82% | 0.817 | S | S | * | * | trans | -104.2 | 110.2 | 167 | 178.7 | 0 | 0 | 0 | 0 | 109 | I30 | I30-V32 HydrophobicContact CG2-CG2 3.96Å; I30-V32 PolarHBondContact O-N 3.46Å; I30-V32 VanDerWaalsContact O-N 3.07Å | ||
| 33 | S | 46.4 | Very low | 46.8 | Very low | 112 Ų | 112 | 151.3 Ų | 151.3 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | -64.5 | 131.5 | 166.6 | 31.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 34 | E | 40.7 | Very low | 46.5 | Very low | 195 Ų | 195 | 148.7 Ų | 148.7 | 91% | 0.911 | 82% | 0.817 | S | S | * | * | trans | -62 | 117.9 | 175.3 | -177 | 179.3 | -178.4 | 0 | 0 | 111.8 | ||||
| 35 | E | 46.5 | Very low | 46.7 | Very low | 195 Ų | 195 | 152.1 Ų | 152.1 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | trans | -148.9 | 134.3 | 155.7 | -124.3 | 177.7 | -169.8 | 0 | 0 | 111.1 | ||||
| 36 | A | 40.4 | Very low | 46.8 | Very low | 96 Ų | 96 | 151.6 Ų | 151.6 | 79% | 0.793 | 82% | 0.823 | S | S | * | * | trans | -73.5 | 144.4 | -158.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 37 | L | 45.5 | Very low | 46.6 | Very low | 167 Ų | 167 | 153.6 Ų | 153.6 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | trans | -124.4 | 141.4 | 157.3 | -75.1 | 177.5 | 0 | 0 | 0 | 110.5 | ||||
| 38 | P | 48.4 | Very low | 46.2 | Very low | 128 Ų | 128 | 153.1 Ų | 153.1 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | trans | -86.1 | 155.2 | -168.1 | 34.6 | -34.4 | 0 | 0 | 0 | 114 | ||||
| 39 | E | 44.3 | Very low | 45.9 | Very low | 181 Ų | 181 | 154.2 Ų | 154.2 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | -50.8 | 139.1 | -177.9 | -85.9 | -174.7 | 142.4 | 0 | 0 | 118.7 | ||||
| 40 | V | 43.4 | Very low | 45.7 | Very low | 107 Ų | 107 | 151.7 Ų | 151.7 | 65% | 0.648 | 81% | 0.813 | S | S | * | * | 78.2 | 114.6 | 123.1 | 178 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 41 | K | 44.5 | Very low | 45.2 | Very low | 196 Ų | 196 | 154 Ų | 154 | 85% | 0.852 | 83% | 0.825 | S | S | * | * | 172 | 109 | 98.9 | -121.9 | 143.6 | -170.8 | 174.8 | 0 | 110.1 | |||||
| 42 | S | 48.8 | Very low | 45.2 | Very low | 119 Ų | 119 | 148.6 Ų | 148.6 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 140.7 | 162.6 | -62.2 | 0 | 0 | 0 | 0 | 109.2 | ||
| 43 | P | 47.9 | Very low | 44.9 | Very low | 118 Ų | 118 | 148.8 Ų | 148.8 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 149 | 178.2 | 2.3 | 14.7 | 0 | 0 | 0 | 111.7 | ||
| 44 | A | 39.6 | Very low | 44.7 | Very low | 99 Ų | 99 | 152.8 Ų | 152.8 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 137.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 45 | F | 48 | Very low | 44.4 | Very low | 201 Ų | 201 | 147.7 Ų | 147.7 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 122.4 | 164.7 | -91.7 | -92.8 | 0 | 0 | 0 | 109.5 | ||
| 46 | D | 51 | Low | 44.2 | Very low | 164 Ų | 164 | 147.6 Ų | 147.6 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 134 | 167.3 | -85.2 | -39.5 | 0 | 0 | 0 | 110.6 | ||
| 47 | K | 46 | Very low | 44.3 | Very low | 209 Ų | 209 | 146.4 Ų | 146.4 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 119 | 177 | -65.3 | 177.3 | 178.1 | 178.5 | 0 | 109.6 | ||
| 48 | N | 42.3 | Very low | 44.3 | Very low | 141 Ų | 141 | 145.7 Ų | 145.7 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | -139.5 | 118 | 154.1 | 77.4 | 2.6 | 0 | 0 | 0 | 106.4 | ||||
| 49 | E | 44.8 | Very low | 44.4 | Very low | 169 Ų | 169 | 148 Ų | 148 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | 110 | 124.7 | 80.3 | -109.8 | -171.8 | 169.9 | 0 | 0 | 110.1 | |||||
| 50 | N | 43.6 | Very low | 44.3 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 67% | 0.674 | 80% | 0.798 | S | S | * | * | trans | 64.3 | 105.2 | 156.4 | -73.8 | -39.2 | 0 | 0 | 0 | 119.6 | ||||
| 51 | I | 44.2 | Very low | 44.6 | Very low | 175 Ų | 175 | 148.6 Ų | 148.6 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | -150.2 | 122.9 | 117.6 | -81.8 | 128.4 | 0 | 0 | 0 | 107.2 | |||||
| 52 | S | 44 | Very low | 44.4 | Very low | 97 Ų | 97 | 142.2 Ų | 142.2 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 150.9 | 176.2 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | ||
| 53 | P | 43 | Very low | 44.1 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 120.6 | 155.8 | 12.3 | 6 | 0 | 0 | 0 | 109.8 | ||
| 54 | Q | 41.2 | Very low | 44.1 | Very low | 196 Ų | 196 | 147.1 Ų | 147.1 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73 | 137.4 | 164.5 | -90.5 | -179.4 | -92.7 | 0 | 0 | 110.1 | ||
| 55 | A | 34.9 | Very low | 44.4 | Very low | 89 Ų | 89 | 149 Ų | 149 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 146.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 56 | E | 42.4 | Very low | 44 | Very low | 192 Ų | 192 | 147.4 Ų | 147.4 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | -154.5 | 111 | 135.5 | -65.3 | -151.9 | 177.6 | 0 | 0 | 105.2 | ||||
| 57 | A | 43.2 | Very low | 43.8 | Very low | 72 Ų | 72 | 144.9 Ų | 144.9 | 60% | 0.595 | 80% | 0.795 | S | S | * | * | 88.3 | 139.4 | 85.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 58 | D | 45.2 | Very low | 43.7 | Very low | 151 Ų | 151 | 142 Ų | 142 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | 83.7 | 125.5 | 161.2 | -48.4 | -22.6 | 0 | 0 | 0 | 115.4 | ||||
| 59 | E | 50.9 | Low | 43.6 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | cis | -153.2 | 122 | 15.5 | -60.3 | -178.4 | 154.2 | 0 | 0 | 107.3 | ||||
| 60 | D | 41.3 | Very low | 43.2 | Very low | 141 Ų | 141 | 142 Ų | 142 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | 12.6 | 107.3 | 104 | -162.6 | 21.4 | 0 | 0 | 0 | 116.1 | |||||
| 61 | M | 49.8 | Very low | 43.2 | Very low | 159 Ų | 159 | 145 Ų | 145 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -171.4 | 77.1 | 138.2 | -77.9 | -39.1 | -92.4 | 0 | 0 | 107.2 | ||||
| 62 | G | 39.7 | Very low | 43.3 | Very low | 63 Ų | 63 | 142 Ų | 142 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | trans | -81.3 | 109.8 | 153.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 63 | D | 43.5 | Very low | 43 | Very low | 152 Ų | 152 | 145.3 Ų | 145.3 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | 178.7 | 86.5 | 162.7 | -92.1 | -19.1 | 0 | 0 | 0 | 109.4 | ||||
| 64 | E | 48.3 | Very low | 42.9 | Very low | 187 Ų | 187 | 144.5 Ų | 144.5 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -164.2 | 56.3 | 154 | -143.8 | 174.3 | -179.7 | 0 | 0 | 113.1 | ||||
| 65 | V | 44.7 | Very low | 43.2 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -141.1 | 44.7 | 167.4 | -82.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 66 | D | 39.6 | Very low | 43.7 | Very low | 167 Ų | 167 | 144 Ų | 144 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -158.7 | 93.5 | 169.5 | -88.7 | -36.7 | 0 | 0 | 0 | 109.8 | ||
| 67 | S | 46.8 | Very low | 44 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -170 | -23.6 | 167.4 | 168.2 | 0 | 0 | 0 | 0 | 117.5 | L69 | S67-L69 PolarHBondContact O-N 3.01Š|
| 68 | I | 44.5 | Very low | 44 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -105.8 | 36.8 | -168.1 | -38.7 | -178.7 | 0 | 0 | 0 | 114 | ||
| 69 | L | 39.8 | Very low | 43.9 | Very low | 170 Ų | 170 | 142.7 Ų | 142.7 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | -130 | 56.5 | 169.1 | -143.8 | 137.7 | 0 | 0 | 0 | 110.3 | S67 | S67-L69 PolarHBondContact O-N 3.01Š| ||
| 70 | D | 36.4 | Very low | 43.5 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | -131.7 | 143.1 | 167.2 | -165 | 12.6 | 0 | 0 | 0 | 108.9 | ||||
| 71 | K | 44.6 | Very low | 43.7 | Very low | 190 Ų | 190 | 140.6 Ų | 140.6 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | 87.9 | 60.9 | -175 | -47.9 | 177.9 | -173.5 | -179.2 | 0 | 117.1 | ||||
| 72 | S | 45.7 | Very low | 43.4 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -120.7 | 88.3 | 134.8 | 65.3 | 0 | 0 | 0 | 0 | 108.2 | V74 | S72-V74 PolarHBondContact O-N 3.13Š| ||
| 73 | E | 36.9 | Very low | 43.7 | Very low | 167 Ų | 167 | 145.9 Ų | 145.9 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | trans | -66.6 | 95.4 | 173.7 | -160.3 | 170.6 | -159.7 | 0 | 0 | 108.4 | N75 | E73-N75 PolarHBondContact O-N 3.03Å; E73-N75 VanDerWaalsContact O-N 3.13Å | ||
| 74 | V | 41.4 | Very low | 43.6 | Very low | 112 Ų | 112 | 145.4 Ų | 145.4 | 68% | 0.679 | 80% | 0.801 | S | S | * | * | trans | -75.8 | 91.3 | 170.6 | 177 | 0 | 0 | 0 | 0 | 107.4 | S72 N76 | S72-V74 PolarHBondContact O-N 3.13Å; V74-N76 PolarHBondContact O-N 3.37Å; V74-N76 VanDerWaalsContact O-N 3.16Å | ||
| 75 | N | 46.7 | Very low | 43.6 | Very low | 132 Ų | 132 | 144 Ų | 144 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | -77 | 90.3 | 166.9 | -82.5 | -43.4 | 0 | 0 | 0 | 109.7 | E73 | E73-N75 PolarHBondContact O-N 3.03Å; E73-N75 VanDerWaalsContact O-N 3.13Å | ||
| 76 | N | 46 | Very low | 43.3 | Very low | 142 Ų | 142 | 142.1 Ų | 142.1 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -106.3 | 106.9 | 162.6 | -96.1 | -26.2 | 0 | 0 | 0 | 108.5 | V74 A78 | V74-N76 PolarHBondContact O-N 3.37Å; V74-N76 VanDerWaalsContact O-N 3.16Å; N76-A78 PolarHBondContact O-N 3.28Å | ||
| 77 | P | 49.7 | Very low | 43.7 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -80.5 | 117.8 | 170 | 13.7 | -0.3 | 0 | 0 | 0 | 109.8 | I79 | P77-I79 PolarHBondContact O-N 2.93Š| ||
| 78 | A | 43.3 | Very low | 43.3 | Very low | 95 Ų | 95 | 142.4 Ų | 142.4 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -61.5 | 124.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N76 | N76-A78 PolarHBondContact O-N 3.28Š| ||
| 79 | I | 41.4 | Very low | 43.2 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | 17.8 | 102 | 136.1 | -65.3 | 166.4 | 0 | 0 | 0 | 115.3 | P77 | P77-I79 PolarHBondContact O-N 2.93Š| ||
| 80 | G | 42.9 | Very low | 43.4 | Very low | 75 Ų | 75 | 141.6 Ų | 141.6 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -123.1 | 117.2 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 81 | K | 45.4 | Very low | 43.8 | Very low | 200 Ų | 200 | 138.5 Ų | 138.5 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | trans | -63.2 | 131.4 | -179.8 | -61.5 | 167.6 | 175.1 | 176.9 | 0 | 110.6 | ||||
| 82 | D | 43 | Very low | 44.2 | Very low | 159 Ų | 159 | 135.3 Ų | 135.3 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | -154.3 | 148.6 | 137 | -142.4 | -12.7 | 0 | 0 | 0 | 111.4 | ||||
| 83 | E | 46.2 | Very low | 44.7 | Very low | 174 Ų | 174 | 138.7 Ų | 138.7 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -85.9 | 145.7 | -158.8 | -67.2 | 176.7 | 160.1 | 0 | 0 | 113.1 | ||||
| 84 | N | 42.5 | Very low | 45.9 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | 65 | 97.6 | 135.3 | -160.8 | 5.9 | 0 | 0 | 0 | 117.9 | ||||
| 85 | I | 46.9 | Very low | 47.1 | Very low | 157 Ų | 157 | 136.7 Ų | 136.7 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | -152 | 109.3 | 126.5 | -80.1 | 125.4 | 0 | 0 | 0 | 106.6 | P87 | I85-P87 HydrophobicContact CG2-CG 4.44Š| |||
| 86 | S | 40.4 | Very low | 48.5 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | -82.1 | 137.1 | 158.2 | -178 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 87 | P | 47.4 | Very low | 50.1 | Low | 109 Ų | 109 | 132.8 Ų | 132.8 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | trans | -123.5 | 120.7 | 132.4 | 14.4 | 5.5 | 0 | 0 | 0 | 108.7 | I85 V89 | I85-P87 HydrophobicContact CG2-CG 4.44Å; P87-V89 PolarHBondContact O-N 2.74Å | ||
| 88 | Q | 37 | Very low | 51.6 | Low | 174 Ų | 174 | 131.3 Ų | 131.3 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | trans | -33.9 | 136 | 149.6 | -66.4 | 176.3 | -13.1 | 0 | 0 | 110.3 | ||||
| 89 | V | 42.5 | Very low | 53.6 | Low | 118 Ų | 118 | 130.7 Ų | 130.7 | 72% | 0.715 | 72% | 0.718 | S | S | * | * | trans | 173.2 | 115.5 | 139.2 | 152.2 | 0 | 0 | 0 | 0 | 109.1 | P87 | P87-V89 PolarHBondContact O-N 2.74Š| ||
| 90 | K | 45.3 | Very low | 55.8 | Low | 184 Ų | 184 | 124 Ų | 124 | 80% | 0.8 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 70.7 | 92.3 | 151.8 | -67.5 | 171.1 | -173.7 | -179.4 | 0 | 119.3 | D92 | K90-D92 PolarHBondContact O-N 3.13Š|
| 91 | G | 44.2 | Very low | 57.9 | Low | 76 Ų | 76 | 122.1 Ų | 122.1 | 78% | 0.784 | 67% | 0.665 | S | S | * | * | trans | 48.6 | 71 | 134 | 0 | 0 | 0 | 0 | 0 | 117.4 | E93 | G91-E93 PolarHBondContact O-N 3.2Š| ||
| 92 | D | 52.5 | Low | 60 | Low | 122 Ų | 122 | 117.4 Ų | 117.4 | 65% | 0.652 | 65% | 0.648 | S | S | * | * | trans | -76.1 | 53 | 177.2 | -67.6 | -28.6 | 0 | 0 | 0 | 113.1 | K90 D94 M95 | K90-D92 PolarHBondContact O-N 3.13Å; D92-D94 PolarHBondContact O-N 3.4Å; D92-M95 HydrophobicContact CB-CB 4.1Å; D92-M95 HydrophobicContact CB-CG 3.99Å | ||
| 93 | E | 56.1 | Low | 62.4 | Low | 181 Ų | 181 | 114.9 Ų | 114.9 | 85% | 0.846 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -62.7 | -23.7 | 165.3 | -72.5 | -177.3 | 174.8 | 0 | 0 | 111 | G91 H97 | G91-E93 PolarHBondContact O-N 3.2Å; E93-H97 PolarHBondContact O-N 3.44Å |
| 94 | D | 63.5 | Low | 64.6 | Low | 128 Ų | 128 | 112.3 Ų | 112.3 | 68% | 0.684 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -75.2 | -40.3 | -179 | -159.7 | 19 | 0 | 0 | 0 | 113.3 | D92 G96 H97 E98 | D92-D94 PolarHBondContact O-N 3.4Å; D94-G96 VanDerWaalsContact C-N 3.31Å; D94-G96 PolarHBondContact O-N 3.49Å; D94-H97 PolarHBondContact O-N 2.92Å; D94-E98 PolarHBondContact O-N 2.91Å |
| 95 | M | 66.3 | Low | 67 | Low | 109 Ų | 109 | 112 Ų | 112 | 54% | 0.537 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.1 | -34.7 | 177 | -64.5 | -69.3 | -86.2 | 0 | 0 | 111.8 | D92 E98 V99 | D92-M95 HydrophobicContact CB-CB 4.1Å; D92-M95 HydrophobicContact CB-CG 3.99Å; M95-E98 PolarHBondContact O-N 2.9Å; M95-V99 WeakPolarHBondContact O-CG2 3.34Å; M95-V99 PolarHBondContact O-N 3.48Å |
| 96 | G | 76 | Confident | 69.2 | Low | 50 Ų | 50 | 107 Ų | 107 | 52% | 0.515 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.2 | -39 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D94 G100 | D94-G96 VanDerWaalsContact C-N 3.31Å; D94-G96 PolarHBondContact O-N 3.49Å; G96-G100 PolarHBondContact O-N 2.92Å |
| 97 | H | 79.6 | Confident | 71.8 | Confident | 142 Ų | 142 | 103.8 Ų | 103.8 | 66% | 0.657 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.8 | -40.8 | 176.1 | -175.3 | -88.4 | 0 | 0 | 0 | 112 | E93 D94 G100 S101 | E93-H97 PolarHBondContact O-N 3.44Å; D94-H97 PolarHBondContact O-N 2.92Å; H97-G100 PolarHBondContact O-N 2.81Å; H97-S101 WeakPolarHBondContact O-CB 3.12Å; H97-S101 PolarHBondContact O-N 3.47Å |
| 98 | E | 82.1 | Confident | 74.1 | Confident | 95 Ų | 95 | 103.2 Ų | 103.2 | 44% | 0.444 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.4 | -51.8 | 175.3 | -176.9 | 173.9 | -169.9 | 0 | 0 | 111.7 | D94 M95 G100 S101 M102 | D94-E98 PolarHBondContact O-N 2.91Å; M95-E98 PolarHBondContact O-N 2.9Å; E98-G100 VanDerWaalsContact C-N 3.31Å; E98-G100 PolarHBondContact O-N 3.42Å; E98-S101 PolarHBondContact O-N 3.16Å; E98-S101 VanDerWaalsContact O-N 3.13Å; E98-S101 PolarHBondContact O-OG 3.15Å; E98-M102 HydrophobicContact CG-CE 3.68Å; E98-M102 HydrophobicContact CG-SD 4.41Å; E98-M102 WeakPolarHBondContact O-CG 3.44Å; E98-M102 PolarHBondContact O-N 3.46Å; E98-M102 WeakPolarHBondContact OE1-CE 3.41Å |
| 99 | V | 84.4 | Confident | 76.9 | Confident | 82 Ų | 82 | 99.4 Ų | 99.4 | 50% | 0.497 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.4 | -41.5 | 177.9 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | M95 S101 M102 L103 | M95-V99 WeakPolarHBondContact O-CG2 3.34Å; M95-V99 PolarHBondContact O-N 3.48Å; V99-S101 PolarHBondContact O-N 3.18Å; V99-M102 PolarHBondContact O-N 2.94Å; V99-L103 HydrophobicContact CG1-CD1 4.12Å; V99-L103 HydrophobicContact CG1-CG 4.41Å; V99-L103 WeakPolarHBondContact O-CG 3.44Å; V99-L103 PolarHBondContact O-N 3.48Å |
| 100 | G | 86.6 | Confident | 79.5 | Confident | 26 Ų | 26 | 98.7 Ų | 98.7 | 27% | 0.268 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -57.5 | -48 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G96 H97 E98 M102 L103 D104 | G96-G100 PolarHBondContact O-N 2.92Å; H97-G100 PolarHBondContact O-N 2.81Å; E98-G100 VanDerWaalsContact C-N 3.31Å; E98-G100 PolarHBondContact O-N 3.42Å; G100-M102 VanDerWaalsContact C-N 3.32Å; G100-M102 PolarHBondContact O-N 2.99Å; G100-L103 PolarHBondContact O-N 2.88Å; G100-D104 PolarHBondContact O-N 2.69Å |
| 101 | S | 87.9 | Confident | 81.9 | Confident | 36 Ų | 36 | 97.3 Ų | 97.3 | 25% | 0.252 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.3 | -33.5 | 178.1 | 82.1 | 0 | 0 | 0 | 0 | 113.5 | H97 E98 V99 K105 | H97-S101 WeakPolarHBondContact O-CB 3.12Å; H97-S101 PolarHBondContact O-N 3.47Å; E98-S101 PolarHBondContact O-N 3.16Å; E98-S101 VanDerWaalsContact O-N 3.13Å; E98-S101 PolarHBondContact O-OG 3.15Å; V99-S101 PolarHBondContact O-N 3.18Å; S101-K105 WeakPolarHBondContact O-CD 3.47Å; S101-K105 VanDerWaalsContact O-CG 3.24Å; S101-K105 WeakPolarHBondContact O-CG 3.24Å; S101-K105 PolarHBondContact O-N 3.35Å; S101-K105 VanDerWaalsContact O-N 3.15Å |
| 102 | M | 89.6 | Confident | 84.5 | Confident | 101 Ų | 101 | 99.1 Ų | 99.1 | 50% | 0.498 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.5 | -40.3 | 174.7 | -70.8 | -177.7 | 179.8 | 0 | 0 | 111.3 | E98 V99 G100 K105 S106 | E98-M102 HydrophobicContact CG-CE 3.68Å; E98-M102 HydrophobicContact CG-SD 4.41Å; E98-M102 WeakPolarHBondContact O-CG 3.44Å; E98-M102 PolarHBondContact O-N 3.46Å; E98-M102 WeakPolarHBondContact OE1-CE 3.41Å; V99-M102 PolarHBondContact O-N 2.94Å; G100-M102 VanDerWaalsContact C-N 3.32Å; G100-M102 PolarHBondContact O-N 2.99Å; M102-K105 PolarHBondContact O-N 3.36Å; M102-S106 WeakPolarHBondContact O-CB 3.46Å; M102-S106 PolarHBondContact O-N 2.93Å |
| 103 | L | 93.6 | Very high | 86.6 | Confident | 107 Ų | 107 | 99.4 Ų | 99.4 | 56% | 0.56 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65 | -44 | 175.5 | -73.2 | 174 | 0 | 0 | 0 | 111.5 | V99 G100 K105 S106 G107 | V99-L103 HydrophobicContact CG1-CD1 4.12Å; V99-L103 HydrophobicContact CG1-CG 4.41Å; V99-L103 WeakPolarHBondContact O-CG 3.44Å; V99-L103 PolarHBondContact O-N 3.48Å; G100-L103 PolarHBondContact O-N 2.88Å; L103-K105 PolarHBondContact O-N 2.89Å; L103-S106 WeakPolarHBondContact CA-OG 3.45Å; L103-S106 CarbonylContact O-C 3.6Å; L103-S106 PolarHBondContact O-N 2.91Å; L103-S106 VanDerWaalsContact O-N 3.16Å; L103-S106 PolarHBondContact O-OG 3.33Å; L103-G107 PolarHBondContact O-N 3.44Å |
| 104 | D | 92 | Very high | 88.6 | Confident | 119 Ų | 119 | 95.6 Ų | 95.6 | 64% | 0.636 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.1 | -46.2 | 176.4 | -75.1 | -14.7 | 0 | 0 | 0 | 111.4 | G100 S106 G107 D108 | G100-D104 PolarHBondContact O-N 2.69Å; D104-S106 VanDerWaalsContact C-N 3.33Å; D104-S106 PolarHBondContact O-N 3.46Å; D104-G107 PolarHBondContact O-N 3.22Å; D104-D108 PolarHBondContact O-N 2.9Å |
| 105 | K | 93.8 | Very high | 90.2 | Very high | 135 Ų | 135 | 93.4 Ų | 93.4 | 59% | 0.587 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59 | -43.7 | 173.7 | -72.8 | 169 | -173.7 | 170.6 | 0 | 111.9 | S101 M102 L103 G107 D108 D109 | S101-K105 WeakPolarHBondContact O-CD 3.47Å; S101-K105 VanDerWaalsContact O-CG 3.24Å; S101-K105 WeakPolarHBondContact O-CG 3.24Å; S101-K105 PolarHBondContact O-N 3.35Å; S101-K105 VanDerWaalsContact O-N 3.15Å; M102-K105 PolarHBondContact O-N 3.36Å; L103-K105 PolarHBondContact O-N 2.89Å; K105-G107 VanDerWaalsContact C-N 3.32Å; K105-G107 PolarHBondContact O-N 3.42Å; K105-D108 PolarHBondContact O-N 2.92Å; K105-D109 PolarHBondContact O-N 3.38Å |
| 106 | S | 92.9 | Very high | 91.7 | Very high | 51 Ų | 51 | 93.5 Ų | 93.5 | 36% | 0.357 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 177.3 | 78.5 | 0 | 0 | 0 | 0 | 112 | M102 L103 D104 D109 I110 | M102-S106 WeakPolarHBondContact O-CB 3.46Å; M102-S106 PolarHBondContact O-N 2.93Å; L103-S106 WeakPolarHBondContact CA-OG 3.45Å; L103-S106 CarbonylContact O-C 3.6Å; L103-S106 PolarHBondContact O-N 2.91Å; L103-S106 VanDerWaalsContact O-N 3.16Å; L103-S106 PolarHBondContact O-OG 3.33Å; D104-S106 VanDerWaalsContact C-N 3.33Å; D104-S106 PolarHBondContact O-N 3.46Å; S106-D109 PolarHBondContact O-N 3.5Å; S106-I110 WeakPolarHBondContact O-CB 3.45Å; S106-I110 WeakPolarHBondContact O-CD1 3.44Å; S106-I110 WeakPolarHBondContact O-CG1 3.42Å; S106-I110 PolarHBondContact O-N 2.89Å |
| 107 | G | 94.5 | Very high | 92.8 | Very high | 34 Ų | 34 | 96.7 Ų | 96.7 | 35% | 0.351 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64 | -44 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L103 D104 K105 I110 Y111 | L103-G107 PolarHBondContact O-N 3.44Å; D104-G107 PolarHBondContact O-N 3.22Å; K105-G107 VanDerWaalsContact C-N 3.32Å; K105-G107 PolarHBondContact O-N 3.42Å; G107-I110 PolarHBondContact O-N 2.92Å; G107-Y111 WeakPolarHBondContact O-CB 3.34Å; G107-Y111 PolarHBondContact O-N 3.2Å |
| 108 | D | 95.3 | Very high | 93.6 | Very high | 97 Ų | 97 | 96.9 Ų | 96.9 | 52% | 0.519 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 174.5 | -83.5 | -11.1 | 0 | 0 | 0 | 112.2 | D104 K105 Y111 K112 | D104-D108 PolarHBondContact O-N 2.9Å; K105-D108 PolarHBondContact O-N 2.92Å; D108-Y111 PolarHBondContact O-N 3.4Å; D108-K112 VanDerWaalsContact O-CG 3.28Å; D108-K112 WeakPolarHBondContact O-CG 3.2Å; D108-K112 PolarHBondContact O-N 2.92Å |
| 109 | D | 95.9 | Very high | 94.4 | Very high | 94 Ų | 94 | 97 Ų | 97 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.9 | -39.7 | 179.2 | -72.1 | -17.3 | 0 | 0 | 0 | 111.8 | K105 S106 K112 M113 | K105-D109 PolarHBondContact O-N 3.38Å; S106-D109 PolarHBondContact O-N 3.5Å; D109-K112 PolarHBondContact O-N 3.38Å; D109-K112 IonicContact OD1-NZ 2.63Å; D109-M113 WeakPolarHBondContact O-CB 3.34Å; D109-M113 PolarHBondContact O-N 3.32Å |
| 110 | I | 96.4 | Very high | 95 | Very high | 103 Ų | 103 | 99.9 Ų | 99.9 | 53% | 0.528 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.6 | -46 | 171.2 | -70 | 164.4 | 0 | 0 | 0 | 110.4 | S106 G107 M113 L114 | S106-I110 WeakPolarHBondContact O-CB 3.45Å; S106-I110 WeakPolarHBondContact O-CD1 3.44Å; S106-I110 WeakPolarHBondContact O-CG1 3.42Å; S106-I110 PolarHBondContact O-N 2.89Å; G107-I110 PolarHBondContact O-N 2.92Å; I110-M113 PolarHBondContact O-N 2.96Å; I110-L114 HydrophobicContact CG2-CD1 3.97Å; I110-L114 HydrophobicContact CG2-CG 4.35Å; I110-L114 WeakPolarHBondContact O-CB 3.46Å; I110-L114 WeakPolarHBondContact O-CG 3.28Å; I110-L114 PolarHBondContact O-N 2.88Å |
| 111 | Y | 97.1 | Very high | 95.6 | Very high | 155 Ų | 155 | 103.2 Ų | 103.2 | 61% | 0.608 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.3 | -45.3 | 179.5 | 179.6 | -97.4 | 0 | 0 | 0 | 112 | G107 D108 L114 H115 | G107-Y111 WeakPolarHBondContact O-CB 3.34Å; G107-Y111 PolarHBondContact O-N 3.2Å; D108-Y111 PolarHBondContact O-N 3.4Å; Y111-L114 PolarHBondContact O-N 2.88Å; Y111-H115 WeakPolarHBondContact O-CB 3.35Å; Y111-H115 PolarHBondContact O-N 2.75Å |
| 112 | K | 97.6 | Very high | 96.1 | Very high | 115 Ų | 115 | 105.9 Ų | 105.9 | 50% | 0.5 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 175 | -71.4 | 167.6 | -165.8 | 158.8 | 0 | 111.6 | D108 D109 H115 I116 | D108-K112 VanDerWaalsContact O-CG 3.28Å; D108-K112 WeakPolarHBondContact O-CG 3.2Å; D108-K112 PolarHBondContact O-N 2.92Å; D109-K112 PolarHBondContact O-N 3.38Å; D109-K112 IonicContact OD1-NZ 2.63Å; K112-H115 WeakPolarHBondContact O-CB 3.49Å; K112-H115 PolarHBondContact O-N 2.91Å; K112-I116 WeakPolarHBondContact O-CG1 3.32Å; K112-I116 PolarHBondContact O-N 3.25Å |
| 113 | M | 97.2 | Very high | 96.5 | Very high | 128 Ų | 128 | 104.3 Ų | 104.3 | 63% | 0.631 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.8 | -45.7 | 177.7 | -176.4 | 63.4 | 74.6 | 0 | 0 | 111.7 | D109 I110 H115 I116 K117 | D109-M113 WeakPolarHBondContact O-CB 3.34Å; D109-M113 PolarHBondContact O-N 3.32Å; I110-M113 PolarHBondContact O-N 2.96Å; M113-H115 VanDerWaalsContact C-N 3.32Å; M113-H115 PolarHBondContact O-N 3.45Å; M113-I116 PolarHBondContact O-N 2.97Å; M113-K117 WeakPolarHBondContact O-CB 3.37Å; M113-K117 PolarHBondContact O-N 3.42Å |
| 114 | L | 97.9 | Very high | 96.7 | Very high | 101 Ų | 101 | 105.3 Ų | 105.3 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 175.5 | -73.9 | 175.8 | 0 | 0 | 0 | 112 | I110 Y111 K117 R118 | I110-L114 HydrophobicContact CG2-CD1 3.97Å; I110-L114 HydrophobicContact CG2-CG 4.35Å; I110-L114 WeakPolarHBondContact O-CB 3.46Å; I110-L114 WeakPolarHBondContact O-CG 3.28Å; I110-L114 PolarHBondContact O-N 2.88Å; Y111-L114 PolarHBondContact O-N 2.88Å; L114-K117 PolarHBondContact O-N 3.4Å; L114-R118 WeakPolarHBondContact O-CB 3.42Å; L114-R118 PolarHBondContact O-N 3.4Å |
| 115 | H | 97.6 | Very high | 97 | Very high | 81 Ų | 81 | 104 Ų | 104 | 38% | 0.375 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 176.1 | -168.8 | 77.7 | 0 | 0 | 0 | 111.9 | Y111 K112 M113 R118 K119 | Y111-H115 WeakPolarHBondContact O-CB 3.35Å; Y111-H115 PolarHBondContact O-N 2.75Å; K112-H115 WeakPolarHBondContact O-CB 3.49Å; K112-H115 PolarHBondContact O-N 2.91Å; M113-H115 VanDerWaalsContact C-N 3.32Å; M113-H115 PolarHBondContact O-N 3.45Å; H115-R118 PolarHBondContact O-N 3.44Å; H115-K119 WeakPolarHBondContact O-CG 3.48Å; H115-K119 PolarHBondContact O-N 3.08Å |
| 116 | I | 97.9 | Very high | 97.2 | Very high | 112 Ų | 112 | 105.2 Ų | 105.2 | 57% | 0.574 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.6 | -48.2 | 175.3 | -67.9 | 165 | 0 | 0 | 0 | 110.4 | K112 M113 R118 K119 W120 | K112-I116 WeakPolarHBondContact O-CG1 3.32Å; K112-I116 PolarHBondContact O-N 3.25Å; M113-I116 PolarHBondContact O-N 2.97Å; I116-R118 VanDerWaalsContact C-N 3.33Å; I116-R118 PolarHBondContact O-N 3.35Å; I116-K119 PolarHBondContact O-N 2.86Å; I116-W120 WeakPolarHBondContact O-CB 3.35Å; I116-W120 PolarHBondContact O-N 3.12Å |
| 117 | K | 98.1 | Very high | 97.5 | Very high | 117 Ų | 117 | 108.6 Ų | 108.6 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 178 | -173 | 178.9 | -178 | -178 | 0 | 111.6 | M113 L114 W120 M121 | M113-K117 WeakPolarHBondContact O-CB 3.37Å; M113-K117 PolarHBondContact O-N 3.42Å; L114-K117 PolarHBondContact O-N 3.4Å; K117-W120 PolarHBondContact O-N 3.5Å; K117-M121 HydrophobicContact CG-SD 4.43Å; K117-M121 WeakPolarHBondContact O-CG 3.36Å; K117-M121 PolarHBondContact O-N 3.48Å |
| 118 | R | 98.1 | Very high | 97.6 | Very high | 145 Ų | 145 | 109.2 Ų | 109.2 | 55% | 0.547 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.8 | -49.7 | 175.2 | -177.2 | -173.1 | -59.8 | 173 | 2.4 | 111.2 | L114 H115 I116 W120 M121 E122 | L114-R118 WeakPolarHBondContact O-CB 3.42Å; L114-R118 PolarHBondContact O-N 3.4Å; H115-R118 PolarHBondContact O-N 3.44Å; I116-R118 VanDerWaalsContact C-N 3.33Å; I116-R118 PolarHBondContact O-N 3.35Å; R118-W120 VanDerWaalsContact C-N 3.31Å; R118-W120 PolarHBondContact O-N 3.32Å; R118-M121 PolarHBondContact O-N 2.9Å; R118-E122 WeakPolarHBondContact CD-OE1 3.45Å; R118-E122 HydrophobicContact CG-CG 4.39Å; R118-E122 WeakPolarHBondContact CG-OE1 3.46Å; R118-E122 WeakPolarHBondContact O-CB 3.49Å; R118-E122 WeakPolarHBondContact O-CG 3.37Å; R118-E122 PolarHBondContact O-N 3.09Å |
| 119 | K | 98.2 | Very high | 97.7 | Very high | 99 Ų | 99 | 111 Ų | 111 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 179.3 | -77.7 | -73.8 | 162.2 | -144.5 | 0 | 112.4 | H115 I116 E122 T123 | H115-K119 WeakPolarHBondContact O-CG 3.48Å; H115-K119 PolarHBondContact O-N 3.08Å; I116-K119 PolarHBondContact O-N 2.86Å; K119-E122 IonicContact NZ-OE2 2.64Å; K119-E122 PolarHBondContact NZ-OE2 3.49Å; K119-T123 PolarHBondContact O-N 2.89Å; K119-T123 VanDerWaalsContact O-N 3.09Å; K119-T123 PolarHBondContact O-OG1 2.78Å; K119-T123 VanDerWaalsContact O-OG1 3.08Å |
| 120 | W | 97.9 | Very high | 97.9 | Very high | 141 Ų | 141 | 113.7 Ų | 113.7 | 53% | 0.534 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.6 | -48 | 174.6 | 176.7 | 80.2 | 0 | 0 | 0 | 111.8 | I116 K117 R118 E122 T123 Y124 | I116-W120 WeakPolarHBondContact O-CB 3.35Å; I116-W120 PolarHBondContact O-N 3.12Å; K117-W120 PolarHBondContact O-N 3.5Å; R118-W120 VanDerWaalsContact C-N 3.31Å; R118-W120 PolarHBondContact O-N 3.32Å; W120-E122 PolarHBondContact O-N 3.47Å; W120-T123 PolarHBondContact O-N 2.7Å; W120-Y124 WeakPolarHBondContact O-CB 3.45Å; W120-Y124 PolarHBondContact O-N 2.93Å |
| 121 | M | 98.4 | Very high | 98 | Very high | 96 Ų | 96 | 112 Ų | 112 | 47% | 0.473 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 177 | -71.4 | -179.5 | 66.2 | 0 | 0 | 112.7 | K117 R118 T123 Y124 V125 | K117-M121 HydrophobicContact CG-SD 4.43Å; K117-M121 WeakPolarHBondContact O-CG 3.36Å; K117-M121 PolarHBondContact O-N 3.48Å; R118-M121 PolarHBondContact O-N 2.9Å; M121-T123 VanDerWaalsContact C-N 3.33Å; M121-T123 PolarHBondContact O-N 3.43Å; M121-Y124 PolarHBondContact O-N 3.21Å; M121-V125 WeakPolarHBondContact O-CB 3.29Å; M121-V125 WeakPolarHBondContact O-CG2 3.44Å; M121-V125 PolarHBondContact O-N 2.89Å |
| 122 | E | 98.1 | Very high | 98 | Very high | 92 Ų | 92 | 107.9 Ų | 107.9 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.3 | -45.9 | 176.1 | -76.6 | 171.8 | -171.1 | 0 | 0 | 111.2 | R118 K119 W120 K126 | R118-E122 WeakPolarHBondContact CD-OE1 3.45Å; R118-E122 HydrophobicContact CG-CG 4.39Å; R118-E122 WeakPolarHBondContact CG-OE1 3.46Å; R118-E122 WeakPolarHBondContact O-CB 3.49Å; R118-E122 WeakPolarHBondContact O-CG 3.37Å; R118-E122 PolarHBondContact O-N 3.09Å; K119-E122 IonicContact NZ-OE2 2.64Å; K119-E122 PolarHBondContact NZ-OE2 3.49Å; W120-E122 PolarHBondContact O-N 3.47Å; E122-K126 VanDerWaalsContact O-CB 3.29Å; E122-K126 WeakPolarHBondContact O-CB 3.32Å; E122-K126 PolarHBondContact O-N 2.93Å; E122-K126 VanDerWaalsContact O-N 3.12Å |
| 123 | T | 98.1 | Very high | 98 | Very high | 68 Ų | 68 | 105.7 Ų | 105.7 | 42% | 0.417 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.5 | -47.1 | 177 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | K119 W120 M121 V125 K126 E127 | K119-T123 PolarHBondContact O-N 2.89Å; K119-T123 VanDerWaalsContact O-N 3.09Å; K119-T123 PolarHBondContact O-OG1 2.78Å; K119-T123 VanDerWaalsContact O-OG1 3.08Å; W120-T123 PolarHBondContact O-N 2.7Å; M121-T123 VanDerWaalsContact C-N 3.33Å; M121-T123 PolarHBondContact O-N 3.43Å; T123-V125 PolarHBondContact O-N 3.06Å; T123-K126 WeakPolarHBondContact O-CB 3.31Å; T123-K126 PolarHBondContact O-N 3.18Å; T123-E127 HydrophobicContact CG2-CG 4.34Å; T123-E127 WeakPolarHBondContact CG2-OE1 3.38Å; T123-E127 WeakPolarHBondContact O-CG 3.27Å; T123-E127 PolarHBondContact O-N 2.94Å |
| 124 | Y | 98 | Very high | 98.1 | Very high | 128 Ų | 128 | 104.3 Ų | 104.3 | 50% | 0.502 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.8 | -47.4 | 179.8 | 175.9 | -98.2 | 0 | 0 | 0 | 112.2 | W120 M121 K126 E127 S128 | W120-Y124 WeakPolarHBondContact O-CB 3.45Å; W120-Y124 PolarHBondContact O-N 2.93Å; M121-Y124 PolarHBondContact O-N 3.21Å; Y124-K126 VanDerWaalsContact C-N 3.33Å; Y124-K126 PolarHBondContact O-N 3.41Å; Y124-E127 PolarHBondContact O-N 3.46Å; Y124-S128 VanDerWaalsContact O-CB 3.26Å; Y124-S128 WeakPolarHBondContact O-CB 3.49Å; Y124-S128 PolarHBondContact O-N 3.46Å; Y124-S128 PolarHBondContact O-OG 3.19Å |
| 125 | V | 98.3 | Very high | 98.1 | Very high | 91 Ų | 91 | 105 Ų | 105 | 55% | 0.552 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.6 | -42.3 | 177 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | M121 T123 S128 F129 | M121-V125 WeakPolarHBondContact O-CB 3.29Å; M121-V125 WeakPolarHBondContact O-CG2 3.44Å; M121-V125 PolarHBondContact O-N 2.89Å; T123-V125 PolarHBondContact O-N 3.06Å; V125-S128 PolarHBondContact O-N 3.44Å; V125-F129 VanDerWaalsContact O-CB 3.27Å; V125-F129 WeakPolarHBondContact O-CB 3.4Å; V125-F129 PolarHBondContact O-N 3.02Å |
| 126 | K | 98.2 | Very high | 98.1 | Very high | 161 Ų | 161 | 106 Ų | 106 | 70% | 0.7 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.1 | -44.2 | 178.8 | -176.4 | -178.5 | 179.6 | -177.5 | 0 | 112.2 | E122 T123 Y124 K130 | E122-K126 VanDerWaalsContact O-CB 3.29Å; E122-K126 WeakPolarHBondContact O-CB 3.32Å; E122-K126 PolarHBondContact O-N 2.93Å; E122-K126 VanDerWaalsContact O-N 3.12Å; T123-K126 WeakPolarHBondContact O-CB 3.31Å; T123-K126 PolarHBondContact O-N 3.18Å; Y124-K126 VanDerWaalsContact C-N 3.33Å; Y124-K126 PolarHBondContact O-N 3.41Å; K126-K130 WeakPolarHBondContact O-CB 3.26Å; K126-K130 PolarHBondContact O-N 3.32Å |
| 127 | E | 98.2 | Very high | 98.2 | Very high | 123 Ų | 123 | 105.5 Ų | 105.5 | 58% | 0.575 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.6 | -43.4 | 178.3 | -72.7 | 175.5 | 177.9 | 0 | 0 | 111.6 | T123 Y124 F129 K130 D131 | T123-E127 HydrophobicContact CG2-CG 4.34Å; T123-E127 WeakPolarHBondContact CG2-OE1 3.38Å; T123-E127 WeakPolarHBondContact O-CG 3.27Å; T123-E127 PolarHBondContact O-N 2.94Å; Y124-E127 PolarHBondContact O-N 3.46Å; E127-F129 PolarHBondContact O-N 3.12Å; E127-K130 WeakPolarHBondContact O-CB 3.49Å; E127-K130 PolarHBondContact O-N 3.24Å; E127-D131 PolarHBondContact O-N 2.92Å |
| 128 | S | 97.6 | Very high | 98.2 | Very high | 47 Ų | 47 | 106.4 Ų | 106.4 | 33% | 0.329 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 176.7 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | Y124 V125 K130 D131 S132 | Y124-S128 VanDerWaalsContact O-CB 3.26Å; Y124-S128 WeakPolarHBondContact O-CB 3.49Å; Y124-S128 PolarHBondContact O-N 3.46Å; Y124-S128 PolarHBondContact O-OG 3.19Å; V125-S128 PolarHBondContact O-N 3.44Å; S128-K130 VanDerWaalsContact C-N 3.34Å; S128-K130 PolarHBondContact O-N 3.47Å; S128-D131 PolarHBondContact O-N 2.93Å; S128-S132 VanDerWaalsContact O-CB 3.31Å; S128-S132 WeakPolarHBondContact O-CB 3.49Å; S128-S132 PolarHBondContact O-N 3.46Å |
| 129 | F | 98.1 | Very high | 98.1 | Very high | 133 Ų | 133 | 105.2 Ų | 105.2 | 58% | 0.583 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.3 | -39 | 176.4 | -171.3 | -105.4 | 0 | 0 | 0 | 111.9 | V125 E127 N133 | V125-F129 VanDerWaalsContact O-CB 3.27Å; V125-F129 WeakPolarHBondContact O-CB 3.4Å; V125-F129 PolarHBondContact O-N 3.02Å; E127-F129 PolarHBondContact O-N 3.12Å; F129-N133 WeakPolarHBondContact CD1-ND2 3.38Å; F129-N133 WeakPolarHBondContact CE1-ND2 3.34Å; F129-N133 VanDerWaalsContact CZ-ND2 3.34Å; F129-N133 WeakPolarHBondContact CZ-ND2 2.96Å; F129-N133 WeakPolarHBondContact O-CB 3.48Å; F129-N133 VanDerWaalsContact O-CG 3.3Å; F129-N133 PolarHBondContact O-N 3.19Å |
| 130 | K | 98.4 | Very high | 98.1 | Very high | 151 Ų | 151 | 103 Ų | 103 | 66% | 0.657 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.5 | -47.2 | 176.1 | -176 | -176.9 | 175.1 | -172.1 | 0 | 112 | K126 E127 S128 N133 Q134 | K126-K130 WeakPolarHBondContact O-CB 3.26Å; K126-K130 PolarHBondContact O-N 3.32Å; E127-K130 WeakPolarHBondContact O-CB 3.49Å; E127-K130 PolarHBondContact O-N 3.24Å; S128-K130 VanDerWaalsContact C-N 3.34Å; S128-K130 PolarHBondContact O-N 3.47Å; K130-N133 PolarHBondContact O-N 3.46Å; K130-Q134 WeakPolarHBondContact O-CB 3.11Å; K130-Q134 PolarHBondContact O-N 3.45Å |
| 131 | D | 98.2 | Very high | 98.1 | Very high | 67 Ų | 67 | 101.2 Ų | 101.2 | 36% | 0.358 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 177.4 | 178.7 | 62.5 | 0 | 0 | 0 | 111.5 | E127 S128 N133 Q134 K135 | E127-D131 PolarHBondContact O-N 2.92Å; S128-D131 PolarHBondContact O-N 2.93Å; D131-N133 PolarHBondContact O-N 3.16Å; D131-Q134 PolarHBondContact O-N 2.88Å; D131-K135 WeakPolarHBondContact O-CG 3.4Å; D131-K135 PolarHBondContact O-N 2.98Å; D131-K135 WeakPolarHBondContact OD2-CE 3.3Å; D131-K135 IonicContact OD2-NZ 3.54Å; D131-K135 PolarHBondContact OD2-NZ 3.2Å |
| 132 | S | 98.3 | Very high | 98.1 | Very high | 69 Ų | 69 | 101.7 Ų | 101.7 | 48% | 0.483 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.5 | -46.5 | 176.6 | -174.4 | 0 | 0 | 0 | 0 | 111.9 | S128 Q134 K135 L136 | S128-S132 VanDerWaalsContact O-CB 3.31Å; S128-S132 WeakPolarHBondContact O-CB 3.49Å; S128-S132 PolarHBondContact O-N 3.46Å; S132-Q134 VanDerWaalsContact C-N 3.35Å; S132-Q134 PolarHBondContact O-N 2.95Å; S132-K135 PolarHBondContact O-N 3.4Å; S132-L136 PolarHBondContact O-N 2.88Å |
| 133 | N | 98.1 | Very high | 98.1 | Very high | 69 Ų | 69 | 100.9 Ų | 100.9 | 37% | 0.369 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 177 | -76.3 | -9 | 0 | 0 | 0 | 112.2 | F129 K130 D131 K135 L136 E137 | F129-N133 WeakPolarHBondContact CD1-ND2 3.38Å; F129-N133 WeakPolarHBondContact CE1-ND2 3.34Å; F129-N133 VanDerWaalsContact CZ-ND2 3.34Å; F129-N133 WeakPolarHBondContact CZ-ND2 2.96Å; F129-N133 WeakPolarHBondContact O-CB 3.48Å; F129-N133 VanDerWaalsContact O-CG 3.3Å; F129-N133 PolarHBondContact O-N 3.19Å; K130-N133 PolarHBondContact O-N 3.46Å; D131-N133 PolarHBondContact O-N 3.16Å; N133-K135 VanDerWaalsContact C-N 3.32Å; N133-K135 PolarHBondContact O-N 3.31Å; N133-L136 PolarHBondContact O-N 3.33Å; N133-E137 WeakPolarHBondContact O-CB 3.49Å; N133-E137 PolarHBondContact O-N 3.3Å |
| 134 | Q | 98.3 | Very high | 98.1 | Very high | 99 Ų | 99 | 102.7 Ų | 102.7 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66 | -34 | 176.3 | -171.3 | -178.4 | 3.4 | 0 | 0 | 112.2 | K130 D131 S132 R138 | K130-Q134 WeakPolarHBondContact O-CB 3.11Å; K130-Q134 PolarHBondContact O-N 3.45Å; D131-Q134 PolarHBondContact O-N 2.88Å; S132-Q134 VanDerWaalsContact C-N 3.35Å; S132-Q134 PolarHBondContact O-N 2.95Å; Q134-R138 VanDerWaalsContact O-CG 3.3Å; Q134-R138 WeakPolarHBondContact O-CG 3.47Å; Q134-R138 PolarHBondContact O-N 3.46Å; Q134-R138 PolarHBondContact O-NE 3Å; Q134-R138 VanDerWaalsContact O-NE 3.12Å |
| 135 | K | 98.3 | Very high | 98.1 | Very high | 117 Ų | 117 | 104.7 Ų | 104.7 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.4 | -46 | 172.7 | -75 | 170.6 | 175 | 162.8 | 0 | 111.2 | D131 S132 N133 R138 F139 | D131-K135 WeakPolarHBondContact O-CG 3.4Å; D131-K135 PolarHBondContact O-N 2.98Å; D131-K135 WeakPolarHBondContact OD2-CE 3.3Å; D131-K135 IonicContact OD2-NZ 3.54Å; D131-K135 PolarHBondContact OD2-NZ 3.2Å; S132-K135 PolarHBondContact O-N 3.4Å; N133-K135 VanDerWaalsContact C-N 3.32Å; N133-K135 PolarHBondContact O-N 3.31Å; K135-R138 PolarHBondContact O-N 3.2Å; K135-F139 PolarHBondContact O-N 3.31Å |
| 136 | L | 98.2 | Very high | 98.1 | Very high | 101 Ų | 101 | 105.9 Ų | 105.9 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 176.9 | -179 | 61.2 | 0 | 0 | 0 | 111.7 | S132 N133 R138 F139 C140 | S132-L136 PolarHBondContact O-N 2.88Å; N133-L136 PolarHBondContact O-N 3.33Å; L136-R138 VanDerWaalsContact C-N 3.33Å; L136-R138 PolarHBondContact O-N 3.23Å; L136-F139 WeakPolarHBondContact O-CB 3.41Å; L136-F139 PolarHBondContact O-N 3.03Å; L136-F139 VanDerWaalsContact O-N 3.16Å; L136-C140 PolarHBondContact O-N 2.87Å; L136-C140 PolarHBondContact O-SG 2.94Å; L136-C140 VanDerWaalsContact O-SG 3.33Å |
| 137 | E | 98.2 | Very high | 98 | Very high | 101 Ų | 101 | 106.3 Ų | 106.3 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 178 | -172 | -171.8 | 173 | 0 | 0 | 111.9 | N133 C140 K141 | N133-E137 WeakPolarHBondContact O-CB 3.49Å; N133-E137 PolarHBondContact O-N 3.3Å; E137-C140 PolarHBondContact O-N 3.34Å; E137-K141 HydrophobicContact CG-CD 4.4Å; E137-K141 WeakPolarHBondContact O-CG 3.48Å; E137-K141 PolarHBondContact O-N 2.91Å; E137-K141 VanDerWaalsContact OE1-CE 3.26Å; E137-K141 WeakPolarHBondContact OE1-CE 3.47Å; E137-K141 IonicContact OE1-NZ 2.78Å; E137-K141 PolarHBondContact OE1-NZ 2.93Å |
| 138 | R | 98.3 | Very high | 98 | Very high | 136 Ų | 136 | 107.1 Ų | 107.1 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 174.9 | -78.2 | -178.2 | -76.8 | 169.7 | -9.3 | 111.7 | Q134 K135 L136 M142 | Q134-R138 VanDerWaalsContact O-CG 3.3Å; Q134-R138 WeakPolarHBondContact O-CG 3.47Å; Q134-R138 PolarHBondContact O-N 3.46Å; Q134-R138 PolarHBondContact O-NE 3Å; Q134-R138 VanDerWaalsContact O-NE 3.12Å; K135-R138 PolarHBondContact O-N 3.2Å; L136-R138 VanDerWaalsContact C-N 3.33Å; L136-R138 PolarHBondContact O-N 3.23Å; R138-M142 WeakPolarHBondContact O-CB 3.42Å; R138-M142 PolarHBondContact O-N 3.47Å |
| 139 | F | 97.8 | Very high | 98.1 | Very high | 120 Ų | 120 | 108.7 Ų | 108.7 | 53% | 0.526 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.6 | -47.5 | 177.3 | 179.5 | -96.9 | 0 | 0 | 0 | 111.8 | K135 L136 K141 M142 N143 | K135-F139 PolarHBondContact O-N 3.31Å; L136-F139 WeakPolarHBondContact O-CB 3.41Å; L136-F139 PolarHBondContact O-N 3.03Å; L136-F139 VanDerWaalsContact O-N 3.16Å; F139-K141 PolarHBondContact O-N 3.15Å; F139-M142 HydrophobicContact CD2-CE 4.25Å; F139-M142 WeakPolarHBondContact O-CB 3.37Å; F139-M142 PolarHBondContact O-N 3.02Å; F139-N143 WeakPolarHBondContact O-CB 3.48Å; F139-N143 PolarHBondContact O-N 2.63Å |
| 140 | C | 97.2 | Very high | 98 | Very high | 53 Ų | 53 | 106 Ų | 106 | 36% | 0.358 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58 | -48.9 | 176.8 | -67.8 | 0 | 0 | 0 | 0 | 111.8 | L136 E137 M142 N143 E144 | L136-C140 PolarHBondContact O-N 2.87Å; L136-C140 PolarHBondContact O-SG 2.94Å; L136-C140 VanDerWaalsContact O-SG 3.33Å; E137-C140 PolarHBondContact O-N 3.34Å; C140-M142 VanDerWaalsContact C-N 3.28Å; C140-M142 PolarHBondContact O-N 3.4Å; C140-N143 PolarHBondContact O-N 3.44Å; C140-E144 WeakPolarHBondContact O-CG 3.39Å; C140-E144 PolarHBondContact O-N 3.07Å |
| 141 | K | 98.3 | Very high | 98 | Very high | 103 Ų | 103 | 102 Ų | 102 | 45% | 0.448 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61 | -35.4 | 177.4 | -73.1 | 178.1 | -176.4 | 173.4 | 0 | 113.1 | E137 F139 R145 | E137-K141 HydrophobicContact CG-CD 4.4Å; E137-K141 WeakPolarHBondContact O-CG 3.48Å; E137-K141 PolarHBondContact O-N 2.91Å; E137-K141 VanDerWaalsContact OE1-CE 3.26Å; E137-K141 WeakPolarHBondContact OE1-CE 3.47Å; E137-K141 IonicContact OE1-NZ 2.78Å; E137-K141 PolarHBondContact OE1-NZ 2.93Å; F139-K141 PolarHBondContact O-N 3.15Å; K141-R145 WeakPolarHBondContact O-CB 3.43Å; K141-R145 PolarHBondContact O-N 3.18Å; K141-R145 VanDerWaalsContact O-N 3.15Å |
| 142 | M | 98.2 | Very high | 98 | Very high | 106 Ų | 106 | 103.3 Ų | 103.3 | 52% | 0.522 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.4 | -47.7 | 176 | -176.4 | 167 | 70.4 | 0 | 0 | 111 | R138 F139 C140 R145 E146 | R138-M142 WeakPolarHBondContact O-CB 3.42Å; R138-M142 PolarHBondContact O-N 3.47Å; F139-M142 HydrophobicContact CD2-CE 4.25Å; F139-M142 WeakPolarHBondContact O-CB 3.37Å; F139-M142 PolarHBondContact O-N 3.02Å; C140-M142 VanDerWaalsContact C-N 3.28Å; C140-M142 PolarHBondContact O-N 3.4Å; M142-R145 WeakPolarHBondContact O-CB 3.26Å; M142-R145 PolarHBondContact O-N 3.43Å; M142-E146 PolarHBondContact O-N 3.49Å |
| 143 | N | 97.6 | Very high | 98 | Very high | 75 Ų | 75 | 105.4 Ų | 105.4 | 40% | 0.401 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 178.2 | -175.1 | 58.6 | 0 | 0 | 0 | 112.4 | F139 C140 R145 E146 R147 | F139-N143 WeakPolarHBondContact O-CB 3.48Å; F139-N143 PolarHBondContact O-N 2.63Å; C140-N143 PolarHBondContact O-N 3.44Å; N143-R145 VanDerWaalsContact C-N 3.35Å; N143-R145 PolarHBondContact O-N 2.93Å; N143-E146 PolarHBondContact O-N 2.94Å; N143-R147 WeakPolarHBondContact O-CG 3.41Å; N143-R147 PolarHBondContact O-N 3.22Å |
| 144 | E | 97.7 | Very high | 97.9 | Very high | 106 Ų | 106 | 107.1 Ų | 107.1 | 50% | 0.495 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59 | -44 | 173.1 | -76.9 | 169.3 | -158 | 0 | 0 | 112.1 | C140 E146 R147 K148 | C140-E144 WeakPolarHBondContact O-CG 3.39Å; C140-E144 PolarHBondContact O-N 3.07Å; E144-E146 VanDerWaalsContact C-N 3.34Å; E144-E146 PolarHBondContact O-N 3.25Å; E144-R147 PolarHBondContact O-N 3.38Å; E144-K148 WeakPolarHBondContact O-CG 3.36Å; E144-K148 PolarHBondContact O-N 3.41Å |
| 145 | R | 98 | Very high | 97.9 | Very high | 171 Ų | 171 | 104.9 Ų | 104.9 | 65% | 0.645 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.5 | -41.2 | 177.9 | -169.8 | -173.5 | -58.2 | 129 | 4 | 111.5 | K141 M142 N143 K148 N149 | K141-R145 WeakPolarHBondContact O-CB 3.43Å; K141-R145 PolarHBondContact O-N 3.18Å; K141-R145 VanDerWaalsContact O-N 3.15Å; M142-R145 WeakPolarHBondContact O-CB 3.26Å; M142-R145 PolarHBondContact O-N 3.43Å; N143-R145 VanDerWaalsContact C-N 3.35Å; N143-R145 PolarHBondContact O-N 2.93Å; R145-K148 PolarHBondContact O-N 3.15Å; R145-N149 WeakPolarHBondContact O-CB 3.45Å; R145-N149 PolarHBondContact O-N 2.9Å |
| 146 | E | 98.2 | Very high | 97.9 | Very high | 115 Ų | 115 | 105.3 Ų | 105.3 | 54% | 0.537 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.8 | -45.9 | 177.2 | -173.1 | 173.6 | -174.3 | 0 | 0 | 111.6 | M142 N143 E144 K148 N149 I150 | M142-E146 PolarHBondContact O-N 3.49Å; N143-E146 PolarHBondContact O-N 2.94Å; E144-E146 VanDerWaalsContact C-N 3.34Å; E144-E146 PolarHBondContact O-N 3.25Å; E146-K148 PolarHBondContact O-N 3.13Å; E146-N149 WeakPolarHBondContact O-CB 3.41Å; E146-N149 PolarHBondContact O-N 3.37Å; E146-I150 HydrophobicContact CG-CD1 4.09Å; E146-I150 WeakPolarHBondContact O-CG1 3.36Å; E146-I150 PolarHBondContact O-N 2.88Å |
| 147 | R | 97.9 | Very high | 97.8 | Very high | 171 Ų | 171 | 106.2 Ų | 106.2 | 65% | 0.645 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -56.7 | -47.4 | 173.5 | -77.7 | -178.7 | 54.1 | 146.3 | -4.4 | 112.2 | N143 E144 N149 I150 N151 | N143-R147 WeakPolarHBondContact O-CG 3.41Å; N143-R147 PolarHBondContact O-N 3.22Å; E144-R147 PolarHBondContact O-N 3.38Å; R147-N149 VanDerWaalsContact C-N 3.34Å; R147-N149 PolarHBondContact O-N 2.84Å; R147-I150 PolarHBondContact O-N 3.41Å; R147-N151 WeakPolarHBondContact O-CB 3.43Å; R147-N151 PolarHBondContact O-N 3.36Å |
| 148 | K | 97.9 | Very high | 97.8 | Very high | 140 Ų | 140 | 108 Ų | 108 | 61% | 0.609 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.1 | -43.5 | 176.3 | -75.4 | -179.1 | 179.4 | -178.8 | 0 | 111.5 | E144 R145 E146 N151 N152 | E144-K148 WeakPolarHBondContact O-CG 3.36Å; E144-K148 PolarHBondContact O-N 3.41Å; R145-K148 PolarHBondContact O-N 3.15Å; E146-K148 PolarHBondContact O-N 3.13Å; K148-N151 PolarHBondContact O-N 3.08Å; K148-N152 WeakPolarHBondContact O-CB 3.35Å; K148-N152 PolarHBondContact O-N 3.49Å; K148-N152 PolarHBondContact O-ND2 2.99Å; K148-N152 PolarHBondContact O-OD1 3.38Å |
| 149 | N | 98 | Very high | 97.8 | Very high | 79 Ų | 79 | 105.3 Ų | 105.3 | 42% | 0.422 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 177.3 | -178.9 | 47 | 0 | 0 | 0 | 112.4 | R145 E146 R147 K153 | R145-N149 WeakPolarHBondContact O-CB 3.45Å; R145-N149 PolarHBondContact O-N 2.9Å; E146-N149 WeakPolarHBondContact O-CB 3.41Å; E146-N149 PolarHBondContact O-N 3.37Å; R147-N149 VanDerWaalsContact C-N 3.34Å; R147-N149 PolarHBondContact O-N 2.84Å; N149-K153 WeakPolarHBondContact O-CG 3.15Å; N149-K153 PolarHBondContact O-N 2.89Å; N149-K153 VanDerWaalsContact O-N 3.13Å |
| 150 | I | 97.4 | Very high | 97.8 | Very high | 78 Ų | 78 | 103.9 Ų | 103.9 | 40% | 0.4 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.7 | -48.6 | 176.3 | -68.2 | 167.8 | 0 | 0 | 0 | 110.1 | E146 R147 N152 K153 F154 | E146-I150 HydrophobicContact CG-CD1 4.09Å; E146-I150 WeakPolarHBondContact O-CG1 3.36Å; E146-I150 PolarHBondContact O-N 2.88Å; R147-I150 PolarHBondContact O-N 3.41Å; I150-N152 VanDerWaalsContact C-N 3.34Å; I150-N152 PolarHBondContact O-N 3.15Å; I150-K153 PolarHBondContact O-N 3.26Å; I150-F154 HydrophobicContact CG2-CD2 3.8Å; I150-F154 HydrophobicContact CG2-CE2 3.79Å; I150-F154 WeakPolarHBondContact O-CD2 3.39Å; I150-F154 PolarHBondContact O-N 3.33Å; I150-F154 VanDerWaalsContact O-N 3.08Å |
| 151 | N | 97.8 | Very high | 97.8 | Very high | 67 Ų | 67 | 105.6 Ų | 105.6 | 36% | 0.358 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59 | -45.7 | 179.4 | -167.9 | 38.6 | 0 | 0 | 0 | 111.6 | R147 K148 K153 F154 C155 | R147-N151 WeakPolarHBondContact O-CB 3.43Å; R147-N151 PolarHBondContact O-N 3.36Å; K148-N151 PolarHBondContact O-N 3.08Å; N151-K153 VanDerWaalsContact C-N 3.35Å; N151-K153 PolarHBondContact O-N 3.43Å; N151-F154 PolarHBondContact O-N 2.84Å; N151-F154 VanDerWaalsContact O-N 3.15Å; N151-C155 WeakPolarHBondContact O-CB 3.38Å; N151-C155 PolarHBondContact O-N 2.95Å; N151-C155 PolarHBondContact O-SG 2.83Å; N151-C155 VanDerWaalsContact O-SG 3.33Å |
| 152 | N | 97.9 | Very high | 97.8 | Very high | 93 Ų | 93 | 105.3 Ų | 105.3 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.9 | -44.3 | 178.2 | -71.6 | -7.3 | 0 | 0 | 0 | 112.1 | K148 I150 F154 C155 E156 | K148-N152 WeakPolarHBondContact O-CB 3.35Å; K148-N152 PolarHBondContact O-N 3.49Å; K148-N152 PolarHBondContact O-ND2 2.99Å; K148-N152 PolarHBondContact O-OD1 3.38Å; I150-N152 VanDerWaalsContact C-N 3.34Å; I150-N152 PolarHBondContact O-N 3.15Å; N152-F154 VanDerWaalsContact C-N 3.34Å; N152-F154 PolarHBondContact O-N 3.43Å; N152-C155 PolarHBondContact O-N 3.16Å; N152-E156 WeakPolarHBondContact O-CG 3.05Å; N152-E156 PolarHBondContact O-N 2.8Å |
| 153 | K | 98.1 | Very high | 97.8 | Very high | 113 Ų | 113 | 105.8 Ų | 105.8 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 176.1 | -72.2 | 174.7 | -179.4 | -178.2 | 0 | 112.3 | N149 I150 N151 Q157 | N149-K153 WeakPolarHBondContact O-CG 3.15Å; N149-K153 PolarHBondContact O-N 2.89Å; N149-K153 VanDerWaalsContact O-N 3.13Å; I150-K153 PolarHBondContact O-N 3.26Å; N151-K153 VanDerWaalsContact C-N 3.35Å; N151-K153 PolarHBondContact O-N 3.43Å; K153-Q157 WeakPolarHBondContact O-CG 3.42Å; K153-Q157 PolarHBondContact O-N 2.76Å; K153-Q157 VanDerWaalsContact O-N 3.15Å |
| 154 | F | 96.9 | Very high | 97.9 | Very high | 106 Ų | 106 | 108.4 Ų | 108.4 | 47% | 0.465 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.9 | -45.2 | 175 | -86.4 | -74.4 | 0 | 0 | 0 | 111.6 | I150 N151 N152 E156 Q157 Y158 | I150-F154 HydrophobicContact CG2-CD2 3.8Å; I150-F154 HydrophobicContact CG2-CE2 3.79Å; I150-F154 WeakPolarHBondContact O-CD2 3.39Å; I150-F154 PolarHBondContact O-N 3.33Å; I150-F154 VanDerWaalsContact O-N 3.08Å; N151-F154 PolarHBondContact O-N 2.84Å; N151-F154 VanDerWaalsContact O-N 3.15Å; N152-F154 VanDerWaalsContact C-N 3.34Å; N152-F154 PolarHBondContact O-N 3.43Å; F154-E156 VanDerWaalsContact C-N 3.33Å; F154-E156 PolarHBondContact O-N 3.14Å; F154-Q157 WeakPolarHBondContact O-CB 3.21Å; F154-Q157 PolarHBondContact O-N 3.27Å; F154-Q157 VanDerWaalsContact O-N 3.16Å; F154-Y158 HydrophobicContact CB-CD2 4.45Å; F154-Y158 HydrophobicContact CB-CE2 4.4Å; F154-Y158 HydrophobicContact CD1-CE2 4.38Å; F154-Y158 WeakPolarHBondContact O-CD2 3.5Å; F154-Y158 PolarHBondContact O-N 3.38Å |
| 155 | C | 97.7 | Very high | 97.9 | Very high | 51 Ų | 51 | 106.1 Ų | 106.1 | 35% | 0.345 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57 | -45.4 | 176.1 | -72 | 0 | 0 | 0 | 0 | 111.7 | N151 N152 Q157 Y158 I159 | N151-C155 WeakPolarHBondContact O-CB 3.38Å; N151-C155 PolarHBondContact O-N 2.95Å; N151-C155 PolarHBondContact O-SG 2.83Å; N151-C155 VanDerWaalsContact O-SG 3.33Å; N152-C155 PolarHBondContact O-N 3.16Å; C155-Q157 VanDerWaalsContact C-N 3.34Å; C155-Q157 PolarHBondContact O-N 2.93Å; C155-Y158 PolarHBondContact O-N 2.92Å; C155-I159 WeakPolarHBondContact O-CB 3.48Å; C155-I159 WeakPolarHBondContact O-CD1 3.39Å; C155-I159 WeakPolarHBondContact O-CG1 3.37Å; C155-I159 PolarHBondContact O-N 2.86Å |
| 156 | E | 97.8 | Very high | 97.9 | Very high | 126 Ų | 126 | 101.8 Ų | 101.8 | 59% | 0.589 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.8 | -43.4 | 175.3 | -75.2 | 175.6 | -178.6 | 0 | 0 | 112.3 | N152 F154 T160 | N152-E156 WeakPolarHBondContact O-CG 3.05Å; N152-E156 PolarHBondContact O-N 2.8Å; F154-E156 VanDerWaalsContact C-N 3.33Å; F154-E156 PolarHBondContact O-N 3.14Å; E156-T160 WeakPolarHBondContact O-CB 3.34Å; E156-T160 PolarHBondContact O-N 3.49Å; E156-T160 PolarHBondContact O-OG1 2.86Å |
| 157 | Q | 97.8 | Very high | 97.9 | Very high | 121 Ų | 121 | 101.7 Ų | 101.7 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.1 | -44.2 | 176.1 | -73.5 | -178.2 | -2.5 | 0 | 0 | 112.2 | K153 F154 C155 T160 T161 | K153-Q157 WeakPolarHBondContact O-CG 3.42Å; K153-Q157 PolarHBondContact O-N 2.76Å; K153-Q157 VanDerWaalsContact O-N 3.15Å; F154-Q157 WeakPolarHBondContact O-CB 3.21Å; F154-Q157 PolarHBondContact O-N 3.27Å; F154-Q157 VanDerWaalsContact O-N 3.16Å; C155-Q157 VanDerWaalsContact C-N 3.34Å; C155-Q157 PolarHBondContact O-N 2.93Å; Q157-T160 PolarHBondContact O-N 3.14Å; Q157-T161 WeakPolarHBondContact O-CB 3.3Å; Q157-T161 PolarHBondContact O-N 3.36Å; Q157-T161 PolarHBondContact O-OG1 2.9Å |
| 158 | Y | 97 | Very high | 98 | Very high | 137 Ų | 137 | 97.9 Ų | 97.9 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.1 | -49.8 | 176.6 | -81.7 | -63.1 | 0 | 0 | 0 | 111.2 | F154 C155 T160 T161 F162 | F154-Y158 HydrophobicContact CB-CD2 4.45Å; F154-Y158 HydrophobicContact CB-CE2 4.4Å; F154-Y158 HydrophobicContact CD1-CE2 4.38Å; F154-Y158 WeakPolarHBondContact O-CD2 3.5Å; F154-Y158 PolarHBondContact O-N 3.38Å; C155-Y158 PolarHBondContact O-N 2.92Å; Y158-T160 VanDerWaalsContact C-N 3.32Å; Y158-T160 PolarHBondContact O-N 3.32Å; Y158-T161 PolarHBondContact O-N 3.39Å; Y158-T161 VanDerWaalsContact O-N 3.14Å; Y158-F162 AromaticContact CD1-CE2 3.95Å; Y158-F162 HydrophobicContact CD1-CE2 3.95Å; Y158-F162 HydrophobicContact CG-CE2 4.41Å; Y158-F162 WeakPolarHBondContact O-CD2 3.48Å; Y158-F162 PolarHBondContact O-N 3.07Å |
| 159 | I | 97.9 | Very high | 98 | Very high | 81 Ų | 81 | 94.8 Ų | 94.8 | 42% | 0.415 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -56.2 | -49.1 | 178.7 | -70.3 | 164.7 | 0 | 0 | 0 | 110.2 | C155 T161 F162 Q163 | C155-I159 WeakPolarHBondContact O-CB 3.48Å; C155-I159 WeakPolarHBondContact O-CD1 3.39Å; C155-I159 WeakPolarHBondContact O-CG1 3.37Å; C155-I159 PolarHBondContact O-N 2.86Å; I159-T161 VanDerWaalsContact C-N 3.31Å; I159-T161 PolarHBondContact O-N 3.22Å; I159-F162 PolarHBondContact O-N 2.93Å; I159-Q163 HydrophobicContact CG2-CG 4.44Å; I159-Q163 WeakPolarHBondContact O-CB 3.48Å; I159-Q163 VanDerWaalsContact O-CG 3.3Å; I159-Q163 WeakPolarHBondContact O-CG 3.5Å; I159-Q163 PolarHBondContact O-N 3.26Å |
| 160 | T | 98.1 | Very high | 98 | Very high | 89 Ų | 89 | 97 Ų | 97 | 55% | 0.546 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 179 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | E156 Q157 Y158 K164 | E156-T160 WeakPolarHBondContact O-CB 3.34Å; E156-T160 PolarHBondContact O-N 3.49Å; E156-T160 PolarHBondContact O-OG1 2.86Å; Q157-T160 PolarHBondContact O-N 3.14Å; Y158-T160 VanDerWaalsContact C-N 3.32Å; Y158-T160 PolarHBondContact O-N 3.32Å; T160-K164 WeakPolarHBondContact O-CB 3.47Å; T160-K164 PolarHBondContact O-N 3.26Å |
| 161 | T | 98.2 | Very high | 98 | Very high | 90 Ų | 90 | 100 Ų | 100 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.1 | -43.2 | 179.3 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | Q157 Y158 I159 K164 S165 | Q157-T161 WeakPolarHBondContact O-CB 3.3Å; Q157-T161 PolarHBondContact O-N 3.36Å; Q157-T161 PolarHBondContact O-OG1 2.9Å; Y158-T161 PolarHBondContact O-N 3.39Å; Y158-T161 VanDerWaalsContact O-N 3.14Å; I159-T161 VanDerWaalsContact C-N 3.31Å; I159-T161 PolarHBondContact O-N 3.22Å; T161-K164 PolarHBondContact O-N 3.13Å; T161-S165 WeakPolarHBondContact O-CB 3.45Å; T161-S165 PolarHBondContact O-N 3.4Å |
| 162 | F | 98.1 | Very high | 98.1 | Very high | 96 Ų | 96 | 103 Ų | 103 | 42% | 0.421 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 177.8 | -75.3 | -59.3 | 0 | 0 | 0 | 111.9 | Y158 I159 K164 S165 D166 | Y158-F162 AromaticContact CD1-CE2 3.95Å; Y158-F162 HydrophobicContact CD1-CE2 3.95Å; Y158-F162 HydrophobicContact CG-CE2 4.41Å; Y158-F162 WeakPolarHBondContact O-CD2 3.48Å; Y158-F162 PolarHBondContact O-N 3.07Å; I159-F162 PolarHBondContact O-N 2.93Å; F162-K164 VanDerWaalsContact C-N 3.29Å; F162-K164 PolarHBondContact O-N 3.41Å; F162-S165 WeakPolarHBondContact O-CB 3.41Å; F162-S165 PolarHBondContact O-N 3.37Å; F162-S165 VanDerWaalsContact O-N 3.14Å; F162-D166 PolarHBondContact O-N 3.3Å |
| 163 | Q | 98.3 | Very high | 98.1 | Very high | 116 Ų | 116 | 102.2 Ų | 102.2 | 54% | 0.542 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58 | -42.5 | 174.1 | -74.3 | 175.9 | -14 | 0 | 0 | 111.8 | I159 D166 M167 | I159-Q163 HydrophobicContact CG2-CG 4.44Å; I159-Q163 WeakPolarHBondContact O-CB 3.48Å; I159-Q163 VanDerWaalsContact O-CG 3.3Å; I159-Q163 WeakPolarHBondContact O-CG 3.5Å; I159-Q163 PolarHBondContact O-N 3.26Å; Q163-D166 PolarHBondContact O-N 3.08Å; Q163-M167 WeakPolarHBondContact O-CG 3.44Å; Q163-M167 PolarHBondContact O-N 2.9Å; Q163-M167 VanDerWaalsContact O-N 3.08Å |
| 164 | K | 98.3 | Very high | 98.1 | Very high | 130 Ų | 130 | 102 Ų | 102 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.8 | -46 | 174.8 | -172.1 | -177.2 | 178 | -175.4 | 0 | 111.9 | T160 T161 F162 D166 M167 D168 | T160-K164 WeakPolarHBondContact O-CB 3.47Å; T160-K164 PolarHBondContact O-N 3.26Å; T161-K164 PolarHBondContact O-N 3.13Å; F162-K164 VanDerWaalsContact C-N 3.29Å; F162-K164 PolarHBondContact O-N 3.41Å; K164-D166 VanDerWaalsContact C-N 3.31Å; K164-D166 PolarHBondContact O-N 3.35Å; K164-M167 HydrophobicContact CB-CE 4.43Å; K164-M167 PolarHBondContact O-N 3.45Å; K164-D168 PolarHBondContact O-N 3.42Å |
| 165 | S | 98.5 | Very high | 98.2 | Very high | 58 Ų | 58 | 103 Ų | 103 | 41% | 0.406 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.6 | -42.3 | 176.6 | -176.6 | 0 | 0 | 0 | 0 | 111.9 | T161 F162 D168 V169 | T161-S165 WeakPolarHBondContact O-CB 3.45Å; T161-S165 PolarHBondContact O-N 3.4Å; F162-S165 WeakPolarHBondContact O-CB 3.41Å; F162-S165 PolarHBondContact O-N 3.37Å; F162-S165 VanDerWaalsContact O-N 3.14Å; S165-D168 PolarHBondContact O-N 3.25Å; S165-V169 VanDerWaalsContact O-CG2 3.32Å; S165-V169 WeakPolarHBondContact O-CG2 3.4Å; S165-V169 PolarHBondContact O-N 2.94Å |
| 166 | D | 98.4 | Very high | 98.2 | Very high | 81 Ų | 81 | 106.2 Ų | 106.2 | 43% | 0.433 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 177.9 | -76.9 | -21.9 | 0 | 0 | 0 | 111.9 | F162 Q163 K164 V169 Q170 | F162-D166 PolarHBondContact O-N 3.3Å; Q163-D166 PolarHBondContact O-N 3.08Å; K164-D166 VanDerWaalsContact C-N 3.31Å; K164-D166 PolarHBondContact O-N 3.35Å; D166-V169 PolarHBondContact O-N 3.46Å; D166-Q170 WeakPolarHBondContact O-CG 3.35Å; D166-Q170 PolarHBondContact O-N 2.95Å |
| 167 | M | 98.4 | Very high | 98.2 | Very high | 113 Ų | 113 | 106.2 Ų | 106.2 | 56% | 0.557 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.9 | -43.4 | 173.5 | -71.3 | -171.9 | -63.7 | 0 | 0 | 112 | Q163 K164 V169 Q170 K171 | Q163-M167 WeakPolarHBondContact O-CG 3.44Å; Q163-M167 PolarHBondContact O-N 2.9Å; Q163-M167 VanDerWaalsContact O-N 3.08Å; K164-M167 HydrophobicContact CB-CE 4.43Å; K164-M167 PolarHBondContact O-N 3.45Å; M167-V169 VanDerWaalsContact C-N 3.32Å; M167-V169 PolarHBondContact O-N 2.99Å; M167-Q170 PolarHBondContact O-N 3.41Å; M167-K171 WeakPolarHBondContact O-CB 3.28Å; M167-K171 PolarHBondContact O-N 3.39Å |
| 168 | D | 98.4 | Very high | 98.2 | Very high | 90 Ų | 90 | 107.3 Ų | 107.3 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.8 | -38.7 | 178.4 | -73.4 | -25.6 | 0 | 0 | 0 | 111.4 | K164 S165 K171 F172 | K164-D168 PolarHBondContact O-N 3.42Å; S165-D168 PolarHBondContact O-N 3.25Å; D168-K171 PolarHBondContact O-N 3.45Å; D168-F172 WeakPolarHBondContact O-CB 3.32Å; D168-F172 PolarHBondContact O-N 3.26Å |
| 169 | V | 98.4 | Very high | 98.3 | Very high | 76 Ų | 76 | 104.5 Ų | 104.5 | 46% | 0.461 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 174.1 | 169.2 | 0 | 0 | 0 | 0 | 111.7 | S165 D166 M167 F172 N173 | S165-V169 VanDerWaalsContact O-CG2 3.32Å; S165-V169 WeakPolarHBondContact O-CG2 3.4Å; S165-V169 PolarHBondContact O-N 2.94Å; D166-V169 PolarHBondContact O-N 3.46Å; M167-V169 VanDerWaalsContact C-N 3.32Å; M167-V169 PolarHBondContact O-N 2.99Å; V169-F172 PolarHBondContact O-N 3.06Å; V169-N173 PolarHBondContact O-N 3.07Å; V169-N173 PolarHBondContact O-ND2 2.89Å; V169-N173 VanDerWaalsContact O-ND2 3.13Å |
| 170 | Q | 98.3 | Very high | 98.3 | Very high | 126 Ų | 126 | 104.5 Ų | 104.5 | 59% | 0.589 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.2 | -49.5 | 175.1 | -73.1 | 178.7 | 5.1 | 0 | 0 | 111.2 | D166 M167 F172 N173 E174 | D166-Q170 WeakPolarHBondContact O-CG 3.35Å; D166-Q170 PolarHBondContact O-N 2.95Å; M167-Q170 PolarHBondContact O-N 3.41Å; Q170-F172 VanDerWaalsContact C-N 3.32Å; Q170-F172 PolarHBondContact O-N 3.38Å; Q170-N173 WeakPolarHBondContact O-CB 3.46Å; Q170-N173 PolarHBondContact O-N 3.06Å; Q170-N173 VanDerWaalsContact O-N 3.08Å; Q170-E174 PolarHBondContact O-N 3.4Å |
| 171 | K | 98.6 | Very high | 98.3 | Very high | 139 Ų | 139 | 103.6 Ų | 103.6 | 60% | 0.604 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.2 | -42.1 | 177.8 | -174 | -180 | 177.8 | -175.6 | 0 | 112.3 | M167 D168 N173 E174 E175 | M167-K171 WeakPolarHBondContact O-CB 3.28Å; M167-K171 PolarHBondContact O-N 3.39Å; D168-K171 PolarHBondContact O-N 3.45Å; K171-N173 VanDerWaalsContact C-N 3.32Å; K171-N173 PolarHBondContact O-N 3.13Å; K171-E174 PolarHBondContact O-N 3.46Å; K171-E175 PolarHBondContact O-N 3.08Å |
| 172 | F | 98.4 | Very high | 98.3 | Very high | 131 Ų | 131 | 102.8 Ų | 102.8 | 58% | 0.575 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.3 | -41.7 | 174.9 | 173.6 | -98.8 | 0 | 0 | 0 | 112.1 | D168 V169 Q170 E175 K176 | D168-F172 WeakPolarHBondContact O-CB 3.32Å; D168-F172 PolarHBondContact O-N 3.26Å; V169-F172 PolarHBondContact O-N 3.06Å; Q170-F172 VanDerWaalsContact C-N 3.32Å; Q170-F172 PolarHBondContact O-N 3.38Å; F172-E175 PolarHBondContact O-N 3.46Å; F172-K176 HydrophobicContact CE1-CD 4.38Å; F172-K176 VanDerWaalsContact O-CB 3.28Å; F172-K176 WeakPolarHBondContact O-CB 3.48Å; F172-K176 PolarHBondContact O-N 3.35Å |
| 173 | N | 98.4 | Very high | 98.3 | Very high | 77 Ų | 77 | 102 Ų | 102 | 41% | 0.412 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66 | -40 | 178.4 | -74.4 | -38.2 | 0 | 0 | 0 | 112.2 | V169 Q170 K171 K176 E177 | V169-N173 PolarHBondContact O-N 3.07Å; V169-N173 PolarHBondContact O-ND2 2.89Å; V169-N173 VanDerWaalsContact O-ND2 3.13Å; Q170-N173 WeakPolarHBondContact O-CB 3.46Å; Q170-N173 PolarHBondContact O-N 3.06Å; Q170-N173 VanDerWaalsContact O-N 3.08Å; K171-N173 VanDerWaalsContact C-N 3.32Å; K171-N173 PolarHBondContact O-N 3.13Å; N173-K176 PolarHBondContact O-N 2.9Å; N173-E177 PolarHBondContact O-N 3.31Å |
| 174 | E | 98.4 | Very high | 98.3 | Very high | 107 Ų | 107 | 101.3 Ų | 101.3 | 50% | 0.5 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 174.3 | -68.1 | 178.5 | -172.5 | 0 | 0 | 112.2 | Q170 K171 E177 K178 | Q170-E174 PolarHBondContact O-N 3.4Å; K171-E174 PolarHBondContact O-N 3.46Å; E174-E177 PolarHBondContact O-N 3.39Å; E174-K178 WeakPolarHBondContact O-CG 3.42Å; E174-K178 PolarHBondContact O-N 3.03Å |
| 175 | E | 98.2 | Very high | 98.3 | Very high | 129 Ų | 129 | 102.4 Ų | 102.4 | 60% | 0.603 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.1 | -41.5 | 177.8 | -173.7 | 174.1 | -177.8 | 0 | 0 | 111.6 | K171 F172 E177 K178 S179 | K171-E175 PolarHBondContact O-N 3.08Å; F172-E175 PolarHBondContact O-N 3.46Å; E175-E177 VanDerWaalsContact C-N 3.34Å; E175-E177 PolarHBondContact O-N 3.3Å; E175-K178 PolarHBondContact O-N 3.4Å; E175-S179 WeakPolarHBondContact O-CB 3.36Å; E175-S179 PolarHBondContact O-N 3.3Å |
| 176 | K | 98.2 | Very high | 98.3 | Very high | 117 Ų | 117 | 106.3 Ų | 106.3 | 51% | 0.509 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.2 | -45.6 | 173.8 | 178.5 | -173.2 | 172.9 | -173.1 | 0 | 111.3 | F172 N173 S179 V180 | F172-K176 HydrophobicContact CE1-CD 4.38Å; F172-K176 VanDerWaalsContact O-CB 3.28Å; F172-K176 WeakPolarHBondContact O-CB 3.48Å; F172-K176 PolarHBondContact O-N 3.35Å; N173-K176 PolarHBondContact O-N 2.9Å; K176-S179 PolarHBondContact O-N 2.92Å; K176-V180 VanDerWaalsContact O-CG2 3.31Å; K176-V180 WeakPolarHBondContact O-CG2 3.44Å; K176-V180 PolarHBondContact O-N 3Å |
| 177 | E | 98.2 | Very high | 98.3 | Very high | 126 Ų | 126 | 107.7 Ų | 107.7 | 59% | 0.589 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63 | -44.9 | 178 | -173.3 | 177.5 | 175.9 | 0 | 0 | 111.7 | N173 E174 E175 S179 V180 N181 | N173-E177 PolarHBondContact O-N 3.31Å; E174-E177 PolarHBondContact O-N 3.39Å; E175-E177 VanDerWaalsContact C-N 3.34Å; E175-E177 PolarHBondContact O-N 3.3Å; E177-S179 VanDerWaalsContact C-N 3.31Å; E177-S179 PolarHBondContact O-N 3.23Å; E177-V180 PolarHBondContact O-N 3.43Å; E177-N181 WeakPolarHBondContact O-CB 3.31Å; E177-N181 VanDerWaalsContact O-CG 3.32Å; E177-N181 PolarHBondContact O-N 3.42Å; E177-N181 PolarHBondContact O-ND2 3.32Å |
| 178 | K | 98.3 | Very high | 98.3 | Very high | 144 Ų | 144 | 107.5 Ų | 107.5 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -56.9 | -44.5 | 173.8 | -72.4 | 171.2 | -174.8 | 167.5 | 0 | 111.8 | E174 E175 N181 S182 | E174-K178 WeakPolarHBondContact O-CG 3.42Å; E174-K178 PolarHBondContact O-N 3.03Å; E175-K178 PolarHBondContact O-N 3.4Å; K178-N181 PolarHBondContact O-N 3.45Å; K178-S182 PolarHBondContact O-N 3.37Å |
| 179 | S | 97.9 | Very high | 98.3 | Very high | 78 Ų | 78 | 106 Ų | 106 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 178.5 | -176.3 | 0 | 0 | 0 | 0 | 112.3 | E175 K176 E177 N181 S182 C183 | E175-S179 WeakPolarHBondContact O-CB 3.36Å; E175-S179 PolarHBondContact O-N 3.3Å; K176-S179 PolarHBondContact O-N 2.92Å; E177-S179 VanDerWaalsContact C-N 3.31Å; E177-S179 PolarHBondContact O-N 3.23Å; S179-N181 PolarHBondContact O-N 3.45Å; S179-S182 WeakPolarHBondContact O-CB 3.32Å; S179-S182 PolarHBondContact O-N 2.92Å; S179-C183 WeakPolarHBondContact O-CB 3.45Å; S179-C183 PolarHBondContact O-N 2.95Å |
| 180 | V | 98.4 | Very high | 98.3 | Very high | 81 Ų | 81 | 108.2 Ų | 108.2 | 49% | 0.491 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.3 | -46 | 175.6 | 168.9 | 0 | 0 | 0 | 0 | 111.1 | K176 E177 S182 C183 Q184 | K176-V180 VanDerWaalsContact O-CG2 3.31Å; K176-V180 WeakPolarHBondContact O-CG2 3.44Å; K176-V180 PolarHBondContact O-N 3Å; E177-V180 PolarHBondContact O-N 3.43Å; V180-S182 VanDerWaalsContact C-N 3.33Å; V180-S182 PolarHBondContact O-N 3.47Å; V180-C183 PolarHBondContact O-N 2.87Å; V180-Q184 PolarHBondContact O-N 3.1Å |
| 181 | N | 98.4 | Very high | 98.3 | Very high | 71 Ų | 71 | 108.7 Ų | 108.7 | 38% | 0.38 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 177.6 | -72.7 | -27 | 0 | 0 | 0 | 112.2 | E177 K178 S179 Q184 K185 | E177-N181 WeakPolarHBondContact O-CB 3.31Å; E177-N181 VanDerWaalsContact O-CG 3.32Å; E177-N181 PolarHBondContact O-N 3.42Å; E177-N181 PolarHBondContact O-ND2 3.32Å; K178-N181 PolarHBondContact O-N 3.45Å; S179-N181 PolarHBondContact O-N 3.45Å; N181-Q184 PolarHBondContact O-N 3.43Å; N181-K185 WeakPolarHBondContact O-CG 3.49Å; N181-K185 PolarHBondContact O-N 2.95Å |
| 182 | S | 98.2 | Very high | 98.3 | Very high | 72 Ų | 72 | 108.1 Ų | 108.1 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.4 | -48.2 | 175.3 | -166.6 | 0 | 0 | 0 | 0 | 111.7 | K178 S179 V180 Q184 K185 E186 | K178-S182 PolarHBondContact O-N 3.37Å; S179-S182 WeakPolarHBondContact O-CB 3.32Å; S179-S182 PolarHBondContact O-N 2.92Å; V180-S182 VanDerWaalsContact C-N 3.33Å; V180-S182 PolarHBondContact O-N 3.47Å; S182-Q184 VanDerWaalsContact C-N 3.28Å; S182-Q184 PolarHBondContact O-N 3.17Å; S182-K185 WeakPolarHBondContact O-CB 3.46Å; S182-K185 PolarHBondContact O-N 2.96Å; S182-K185 VanDerWaalsContact O-N 3.1Å; S182-E186 PolarHBondContact O-N 3.4Å |
| 183 | C | 98.1 | Very high | 98.3 | Very high | 80 Ų | 80 | 105.4 Ų | 105.4 | 54% | 0.541 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.2 | -39.3 | 178 | -178.1 | 0 | 0 | 0 | 0 | 111.9 | S179 V180 E186 Q187 | S179-C183 WeakPolarHBondContact O-CB 3.45Å; S179-C183 PolarHBondContact O-N 2.95Å; V180-C183 PolarHBondContact O-N 2.87Å; C183-E186 PolarHBondContact O-N 2.91Å; C183-Q187 WeakPolarHBondContact O-CB 3.48Å; C183-Q187 PolarHBondContact O-N 3.31Å |
| 184 | Q | 98.5 | Very high | 98.3 | Very high | 102 Ų | 102 | 108.2 Ų | 108.2 | 48% | 0.477 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.5 | -43 | 175.3 | -176.3 | 178.5 | -7.4 | 0 | 0 | 112.3 | V180 N181 S182 Q187 Q188 | V180-Q184 PolarHBondContact O-N 3.1Å; N181-Q184 PolarHBondContact O-N 3.43Å; S182-Q184 VanDerWaalsContact C-N 3.28Å; S182-Q184 PolarHBondContact O-N 3.17Å; Q184-Q187 PolarHBondContact O-N 3.25Å; Q184-Q188 WeakPolarHBondContact O-CG 3.48Å; Q184-Q188 PolarHBondContact O-N 2.97Å |
| 185 | K | 98.5 | Very high | 98.3 | Very high | 153 Ų | 153 | 106.1 Ų | 106.1 | 67% | 0.665 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.3 | -45.7 | 175.8 | -71.8 | 176.8 | -179 | 179.8 | 0 | 111.4 | N181 S182 Q187 Q188 A189 | N181-K185 WeakPolarHBondContact O-CG 3.49Å; N181-K185 PolarHBondContact O-N 2.95Å; S182-K185 WeakPolarHBondContact O-CB 3.46Å; S182-K185 PolarHBondContact O-N 2.96Å; S182-K185 VanDerWaalsContact O-N 3.1Å; K185-Q187 VanDerWaalsContact C-N 3.34Å; K185-Q187 PolarHBondContact O-N 2.97Å; K185-Q188 PolarHBondContact O-N 3.3Å; K185-A189 PolarHBondContact O-N 3.38Å |
| 186 | E | 98 | Very high | 98.3 | Very high | 140 Ų | 140 | 103 Ų | 103 | 65% | 0.654 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.9 | -41.3 | 177.4 | -170.3 | 177.2 | 179.5 | 0 | 0 | 111.7 | S182 C183 Q188 A189 L190 | S182-E186 PolarHBondContact O-N 3.4Å; C183-E186 PolarHBondContact O-N 2.91Å; E186-Q188 VanDerWaalsContact C-N 3.31Å; E186-Q188 PolarHBondContact O-N 3.32Å; E186-A189 PolarHBondContact O-N 3.23Å; E186-L190 WeakPolarHBondContact O-CB 3.43Å; E186-L190 PolarHBondContact O-N 3.5Å |
| 187 | Q | 98.3 | Very high | 98.3 | Very high | 110 Ų | 110 | 103.9 Ų | 103.9 | 51% | 0.514 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.2 | -39.3 | 175.5 | -169.2 | -173.8 | 39.1 | 0 | 0 | 112.2 | C183 Q184 K185 K191 | C183-Q187 WeakPolarHBondContact O-CB 3.48Å; C183-Q187 PolarHBondContact O-N 3.31Å; Q184-Q187 PolarHBondContact O-N 3.25Å; K185-Q187 VanDerWaalsContact C-N 3.34Å; K185-Q187 PolarHBondContact O-N 2.97Å; Q187-K191 WeakPolarHBondContact O-CG 3.42Å; Q187-K191 PolarHBondContact O-N 3.22Å; Q187-K191 VanDerWaalsContact O-N 3.16Å |
| 188 | Q | 98.5 | Very high | 98.3 | Very high | 109 Ų | 109 | 102.2 Ų | 102.2 | 51% | 0.509 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.8 | -45.5 | 174.9 | -72.4 | 179.2 | 0.5 | 0 | 0 | 111.7 | Q184 K185 E186 L190 K191 L192 | Q184-Q188 WeakPolarHBondContact O-CG 3.48Å; Q184-Q188 PolarHBondContact O-N 2.97Å; K185-Q188 PolarHBondContact O-N 3.3Å; E186-Q188 VanDerWaalsContact C-N 3.31Å; E186-Q188 PolarHBondContact O-N 3.32Å; Q188-L190 VanDerWaalsContact C-N 3.31Å; Q188-L190 PolarHBondContact O-N 3.47Å; Q188-K191 PolarHBondContact O-N 3.16Å; Q188-L192 PolarHBondContact O-N 2.88Å |
| 189 | A | 98.5 | Very high | 98.3 | Very high | 58 Ų | 58 | 101.4 Ų | 101.4 | 48% | 0.479 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.7 | -42.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K185 E186 K191 L192 S193 | K185-A189 PolarHBondContact O-N 3.38Å; E186-A189 PolarHBondContact O-N 3.23Å; A189-K191 PolarHBondContact O-N 3.48Å; A189-L192 PolarHBondContact O-N 3.02Å; A189-S193 WeakPolarHBondContact O-CB 3.42Å; A189-S193 PolarHBondContact O-N 3.41Å |
| 190 | L | 98.4 | Very high | 98.4 | Very high | 123 Ų | 123 | 101.5 Ų | 101.5 | 64% | 0.644 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.2 | -42.2 | 177 | -176 | 65.4 | 0 | 0 | 0 | 112.3 | E186 Q188 S193 K194 | E186-L190 WeakPolarHBondContact O-CB 3.43Å; E186-L190 PolarHBondContact O-N 3.5Å; Q188-L190 VanDerWaalsContact C-N 3.31Å; Q188-L190 PolarHBondContact O-N 3.47Å; L190-S193 PolarHBondContact O-N 3.47Å; L190-K194 WeakPolarHBondContact O-CB 3.41Å; L190-K194 PolarHBondContact O-N 3.06Å |
| 191 | K | 98.4 | Very high | 98.4 | Very high | 135 Ų | 135 | 102.1 Ų | 102.1 | 59% | 0.587 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.6 | -44.2 | 175.8 | -75.1 | 176.6 | -177.5 | 176.8 | 0 | 111.6 | Q187 Q188 A189 K194 C195 | Q187-K191 WeakPolarHBondContact O-CG 3.42Å; Q187-K191 PolarHBondContact O-N 3.22Å; Q187-K191 VanDerWaalsContact O-N 3.16Å; Q188-K191 PolarHBondContact O-N 3.16Å; A189-K191 PolarHBondContact O-N 3.48Å; K191-K194 PolarHBondContact O-N 3.05Å; K191-C195 PolarHBondContact O-N 3.46Å; K191-C195 VanDerWaalsContact O-N 3.07Å |
| 192 | L | 98.5 | Very high | 98.4 | Very high | 127 Ų | 127 | 105.3 Ų | 105.3 | 67% | 0.665 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.4 | -45.9 | 178 | -71.1 | 173.6 | 0 | 0 | 0 | 111.7 | Q188 A189 K194 C195 S196 | Q188-L192 PolarHBondContact O-N 2.88Å; A189-L192 PolarHBondContact O-N 3.02Å; L192-K194 VanDerWaalsContact C-N 3.34Å; L192-K194 PolarHBondContact O-N 2.91Å; L192-C195 WeakPolarHBondContact O-CB 3.41Å; L192-C195 PolarHBondContact O-N 3.48Å; L192-C195 VanDerWaalsContact O-N 3.17Å; L192-S196 PolarHBondContact O-N 3.4Å |
| 193 | S | 98.3 | Very high | 98.4 | Very high | 74 Ų | 74 | 104.6 Ų | 104.6 | 52% | 0.517 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -57.2 | -45.9 | 176.4 | 178.4 | 0 | 0 | 0 | 0 | 111.8 | A189 L190 C195 S196 Q197 | A189-S193 WeakPolarHBondContact O-CB 3.42Å; A189-S193 PolarHBondContact O-N 3.41Å; L190-S193 PolarHBondContact O-N 3.47Å; S193-C195 PolarHBondContact O-N 3.39Å; S193-S196 PolarHBondContact O-N 2.91Å; S193-Q197 PolarHBondContact O-N 2.9Å |
| 194 | K | 98.5 | Very high | 98.4 | Very high | 136 Ų | 136 | 104.8 Ų | 104.8 | 59% | 0.591 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.9 | -40.4 | 176.4 | -173.5 | 175.8 | -178.8 | 176.9 | 0 | 112.7 | L190 K191 L192 N198 | L190-K194 WeakPolarHBondContact O-CB 3.41Å; L190-K194 PolarHBondContact O-N 3.06Å; K191-K194 PolarHBondContact O-N 3.05Å; L192-K194 VanDerWaalsContact C-N 3.34Å; L192-K194 PolarHBondContact O-N 2.91Å; K194-N198 PolarHBondContact O-N 3.42Å; K194-N198 VanDerWaalsContact O-N 3.12Å; K194-N198 PolarHBondContact O-ND2 3.07Å |
| 195 | C | 98.4 | Very high | 98.4 | Very high | 64 Ų | 64 | 106.2 Ų | 106.2 | 43% | 0.432 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.6 | -47.9 | 175.9 | -172 | 0 | 0 | 0 | 0 | 111.3 | K191 L192 S193 Q197 N198 Q199 | K191-C195 PolarHBondContact O-N 3.46Å; K191-C195 VanDerWaalsContact O-N 3.07Å; L192-C195 WeakPolarHBondContact O-CB 3.41Å; L192-C195 PolarHBondContact O-N 3.48Å; L192-C195 VanDerWaalsContact O-N 3.17Å; S193-C195 PolarHBondContact O-N 3.39Å; C195-Q197 PolarHBondContact O-N 3.29Å; C195-N198 PolarHBondContact O-N 3.17Å; C195-Q199 WeakPolarHBondContact O-CG 3.46Å; C195-Q199 PolarHBondContact O-N 3.46Å |
| 196 | S | 98.3 | Very high | 98.4 | Very high | 64 Ų | 64 | 102.1 Ų | 102.1 | 45% | 0.448 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.4 | -46.8 | 177.3 | 176.6 | 0 | 0 | 0 | 0 | 111.9 | L192 S193 N198 Q199 T200 | L192-S196 PolarHBondContact O-N 3.4Å; S193-S196 PolarHBondContact O-N 2.91Å; S196-N198 VanDerWaalsContact C-N 3.33Å; S196-N198 PolarHBondContact O-N 3.49Å; S196-Q199 WeakPolarHBondContact O-CB 3.44Å; S196-Q199 PolarHBondContact O-N 3.13Å; S196-Q199 VanDerWaalsContact O-N 3.13Å; S196-T200 PolarHBondContact O-N 3.36Å; S196-T200 PolarHBondContact O-OG1 3.15Å |
| 197 | Q | 98.4 | Very high | 98.4 | Very high | 134 Ų | 134 | 101.9 Ų | 101.9 | 63% | 0.626 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.7 | -42.9 | 177.3 | -172 | -177.6 | 27.6 | 0 | 0 | 112.2 | S193 C195 T200 L201 | S193-Q197 PolarHBondContact O-N 2.9Å; C195-Q197 PolarHBondContact O-N 3.29Å; Q197-T200 PolarHBondContact O-N 2.94Å; Q197-L201 WeakPolarHBondContact O-CB 3.42Å; Q197-L201 PolarHBondContact O-N 3.27Å |
| 198 | N | 98.5 | Very high | 98.4 | Very high | 91 Ų | 91 | 102.4 Ų | 102.4 | 49% | 0.487 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 176.9 | -75.2 | -24.6 | 0 | 0 | 0 | 112.2 | K194 C195 S196 L201 K202 | K194-N198 PolarHBondContact O-N 3.42Å; K194-N198 VanDerWaalsContact O-N 3.12Å; K194-N198 PolarHBondContact O-ND2 3.07Å; C195-N198 PolarHBondContact O-N 3.17Å; S196-N198 VanDerWaalsContact C-N 3.33Å; S196-N198 PolarHBondContact O-N 3.49Å; N198-L201 PolarHBondContact O-N 3.12Å; N198-K202 PolarHBondContact O-N 3.07Å |
| 199 | Q | 98.3 | Very high | 98.4 | Very high | 127 Ų | 127 | 103.7 Ų | 103.7 | 59% | 0.593 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.8 | -45.8 | 175.2 | -71.6 | 174.9 | -7.2 | 0 | 0 | 111.4 | C195 S196 L201 K202 A203 | C195-Q199 WeakPolarHBondContact O-CG 3.46Å; C195-Q199 PolarHBondContact O-N 3.46Å; S196-Q199 WeakPolarHBondContact O-CB 3.44Å; S196-Q199 PolarHBondContact O-N 3.13Å; S196-Q199 VanDerWaalsContact O-N 3.13Å; Q199-L201 VanDerWaalsContact C-N 3.34Å; Q199-L201 PolarHBondContact O-N 3.21Å; Q199-K202 WeakPolarHBondContact O-CB 3.41Å; Q199-K202 PolarHBondContact O-N 2.96Å; Q199-A203 PolarHBondContact O-N 3.2Å |
| 200 | T | 98.5 | Very high | 98.4 | Very high | 81 Ų | 81 | 107.4 Ų | 107.4 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.7 | -44.8 | 175.4 | -57.2 | 0 | 0 | 0 | 0 | 111.2 | S196 Q197 K202 A203 V204 | S196-T200 PolarHBondContact O-N 3.36Å; S196-T200 PolarHBondContact O-OG1 3.15Å; Q197-T200 PolarHBondContact O-N 2.94Å; T200-K202 VanDerWaalsContact C-N 3.3Å; T200-K202 PolarHBondContact O-N 3.02Å; T200-A203 PolarHBondContact O-N 3.02Å; T200-V204 WeakPolarHBondContact O-CG2 3.36Å; T200-V204 PolarHBondContact O-N 3.33Å |
| 201 | L | 98.5 | Very high | 98.4 | Very high | 93 Ų | 93 | 104.5 Ų | 104.5 | 49% | 0.487 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.7 | -40.7 | 176.5 | -179.7 | 62.7 | 0 | 0 | 0 | 111.9 | Q197 N198 Q199 V204 K205 | Q197-L201 WeakPolarHBondContact O-CB 3.42Å; Q197-L201 PolarHBondContact O-N 3.27Å; N198-L201 PolarHBondContact O-N 3.12Å; Q199-L201 VanDerWaalsContact C-N 3.34Å; Q199-L201 PolarHBondContact O-N 3.21Å; L201-V204 PolarHBondContact O-N 3.38Å; L201-K205 WeakPolarHBondContact O-CG 3.42Å; L201-K205 PolarHBondContact O-N 2.95Å |
| 202 | K | 98.5 | Very high | 98.4 | Very high | 139 Ų | 139 | 103 Ų | 103 | 60% | 0.604 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63 | -47.2 | 175.1 | -172.6 | 178.9 | 178.3 | -177.4 | 0 | 111.4 | N198 Q199 T200 V204 K205 D206 | N198-K202 PolarHBondContact O-N 3.07Å; Q199-K202 WeakPolarHBondContact O-CB 3.41Å; Q199-K202 PolarHBondContact O-N 2.96Å; T200-K202 VanDerWaalsContact C-N 3.3Å; T200-K202 PolarHBondContact O-N 3.02Å; K202-V204 VanDerWaalsContact C-N 3.3Å; K202-V204 PolarHBondContact O-N 3.15Å; K202-K205 WeakPolarHBondContact O-CB 3.45Å; K202-K205 PolarHBondContact O-N 3.36Å; K202-K205 VanDerWaalsContact O-N 3.11Å; K202-D206 PolarHBondContact O-N 2.94Å |
| 203 | A | 98.5 | Very high | 98.3 | Very high | 56 Ų | 56 | 102 Ų | 102 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.2 | -38.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q199 T200 M207 | Q199-A203 PolarHBondContact O-N 3.2Å; T200-A203 PolarHBondContact O-N 3.02Å; A203-M207 WeakPolarHBondContact O-CB 3.49Å; A203-M207 PolarHBondContact O-N 2.94Å |
| 204 | V | 98.5 | Very high | 98.3 | Very high | 85 Ų | 85 | 103 Ų | 103 | 52% | 0.515 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 174.9 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | T200 L201 K202 M207 H208 | T200-V204 WeakPolarHBondContact O-CG2 3.36Å; T200-V204 PolarHBondContact O-N 3.33Å; L201-V204 PolarHBondContact O-N 3.38Å; K202-V204 VanDerWaalsContact C-N 3.3Å; K202-V204 PolarHBondContact O-N 3.15Å; V204-M207 PolarHBondContact O-N 2.99Å; V204-H208 PolarHBondContact O-N 3.11Å |
| 205 | K | 98.4 | Very high | 98.3 | Very high | 132 Ų | 132 | 101.4 Ų | 101.4 | 57% | 0.574 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63 | -47.6 | 175.5 | -74.3 | 179.5 | 176.4 | -172.8 | 0 | 112.1 | L201 K202 M207 H208 E209 | L201-K205 WeakPolarHBondContact O-CG 3.42Å; L201-K205 PolarHBondContact O-N 2.95Å; K202-K205 WeakPolarHBondContact O-CB 3.45Å; K202-K205 PolarHBondContact O-N 3.36Å; K202-K205 VanDerWaalsContact O-N 3.11Å; K205-M207 VanDerWaalsContact C-N 3.27Å; K205-M207 PolarHBondContact O-N 3.42Å; K205-H208 WeakPolarHBondContact O-CB 3.46Å; K205-H208 PolarHBondContact O-N 3.35Å; K205-H208 VanDerWaalsContact O-N 3.15Å; K205-E209 PolarHBondContact O-N 3.19Å |
| 206 | D | 98.4 | Very high | 98.2 | Very high | 67 Ų | 67 | 104.3 Ų | 104.3 | 36% | 0.358 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.7 | -37.4 | 178.7 | -63.3 | -5.7 | 0 | 0 | 0 | 111.2 | K202 K210 | K202-D206 PolarHBondContact O-N 2.94Å; D206-K210 VanDerWaalsContact O-CG 3.32Å; D206-K210 WeakPolarHBondContact O-CG 3.45Å; D206-K210 PolarHBondContact O-N 3.46Å; D206-K210 VanDerWaalsContact O-N 3.1Å |
| 207 | M | 98.2 | Very high | 98.1 | Very high | 135 Ų | 135 | 105.3 Ų | 105.3 | 67% | 0.665 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.1 | -43 | 174.9 | -173.9 | -170.1 | -59.5 | 0 | 0 | 111.9 | A203 V204 K205 K210 S211 | A203-M207 WeakPolarHBondContact O-CB 3.49Å; A203-M207 PolarHBondContact O-N 2.94Å; V204-M207 PolarHBondContact O-N 2.99Å; K205-M207 VanDerWaalsContact C-N 3.27Å; K205-M207 PolarHBondContact O-N 3.42Å; M207-K210 PolarHBondContact O-N 3.33Å; M207-S211 WeakPolarHBondContact O-CB 3.34Å; M207-S211 PolarHBondContact O-N 3.48Å |
| 208 | H | 98.4 | Very high | 98 | Very high | 121 Ų | 121 | 103.1 Ų | 103.1 | 56% | 0.56 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.5 | -45.1 | 177.1 | 177 | 60.8 | 0 | 0 | 0 | 111.5 | V204 K205 S211 M212 | V204-H208 PolarHBondContact O-N 3.11Å; K205-H208 WeakPolarHBondContact O-CB 3.46Å; K205-H208 PolarHBondContact O-N 3.35Å; K205-H208 VanDerWaalsContact O-N 3.15Å; H208-S211 WeakPolarHBondContact O-CB 3.47Å; H208-S211 PolarHBondContact O-N 3Å; H208-M212 WeakPolarHBondContact O-CG 3.39Å; H208-M212 PolarHBondContact O-N 2.95Å |
| 209 | E | 98.3 | Very high | 97.9 | Very high | 135 Ų | 135 | 100.6 Ų | 100.6 | 63% | 0.631 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.9 | -48.6 | 176.9 | -174.4 | 171.3 | -161.8 | 0 | 0 | 111.6 | K205 S211 M212 E213 | K205-E209 PolarHBondContact O-N 3.19Å; E209-S211 VanDerWaalsContact C-N 3.32Å; E209-S211 PolarHBondContact O-N 3.38Å; E209-M212 PolarHBondContact O-N 2.99Å; E209-E213 PolarHBondContact O-N 3.39Å |
| 210 | K | 98.2 | Very high | 97.8 | Very high | 136 Ų | 136 | 98 Ų | 98 | 59% | 0.591 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.6 | -39.2 | 174.8 | -71.2 | 175.6 | -174.4 | 178.8 | 0 | 112.9 | D206 M207 M212 E213 V214 | D206-K210 VanDerWaalsContact O-CG 3.32Å; D206-K210 WeakPolarHBondContact O-CG 3.45Å; D206-K210 PolarHBondContact O-N 3.46Å; D206-K210 VanDerWaalsContact O-N 3.1Å; M207-K210 PolarHBondContact O-N 3.33Å; K210-M212 VanDerWaalsContact C-N 3.34Å; K210-E213 PolarHBondContact O-N 3.06Å; K210-V214 WeakPolarHBondContact O-CG2 3.33Å; K210-V214 PolarHBondContact O-N 3.18Å |
| 211 | S | 98 | Very high | 97.6 | Very high | 63 Ų | 63 | 100.5 Ų | 100.5 | 44% | 0.441 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 176.7 | -174.1 | 0 | 0 | 0 | 0 | 111.5 | M207 H208 E209 V214 L215 | M207-S211 WeakPolarHBondContact O-CB 3.34Å; M207-S211 PolarHBondContact O-N 3.48Å; H208-S211 WeakPolarHBondContact O-CB 3.47Å; H208-S211 PolarHBondContact O-N 3Å; E209-S211 VanDerWaalsContact C-N 3.32Å; E209-S211 PolarHBondContact O-N 3.38Å; S211-V214 PolarHBondContact O-N 2.93Å; S211-L215 WeakPolarHBondContact O-CG 3.32Å; S211-L215 PolarHBondContact O-N 3.28Å |
| 212 | M | 97.9 | Very high | 97.5 | Very high | 102 Ų | 102 | 99.8 Ų | 99.8 | 50% | 0.502 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66 | -40.9 | 177 | -71.3 | -59.1 | -60 | 0 | 0 | 111.7 | H208 E209 K210 L215 M216 | H208-M212 WeakPolarHBondContact O-CG 3.39Å; H208-M212 PolarHBondContact O-N 2.95Å; E209-M212 PolarHBondContact O-N 2.99Å; K210-M212 VanDerWaalsContact C-N 3.34Å; M212-L215 PolarHBondContact O-N 3.47Å; M212-L215 HydrophobicContact SD-CD1 4.5Å; M212-M216 WeakPolarHBondContact O-CB 3.42Å; M212-M216 PolarHBondContact O-N 3.4Å |
| 213 | E | 98 | Very high | 97.3 | Very high | 108 Ų | 108 | 99.7 Ų | 99.7 | 51% | 0.505 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.4 | -46.3 | 174.9 | -174.6 | -177.2 | -176.6 | 0 | 0 | 111.9 | E209 K210 L215 M216 N217 | E209-E213 PolarHBondContact O-N 3.39Å; K210-E213 PolarHBondContact O-N 3.06Å; E213-L215 PolarHBondContact O-N 2.92Å; E213-M216 PolarHBondContact O-N 2.96Å; E213-N217 WeakPolarHBondContact O-CB 3.4Å; E213-N217 VanDerWaalsContact O-CG 3.29Å; E213-N217 PolarHBondContact O-N 3.36Å; E213-N217 PolarHBondContact O-ND2 3.47Å |
| 214 | V | 98.1 | Very high | 97 | Very high | 94 Ų | 94 | 102.3 Ų | 102.3 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.8 | -43.8 | 176.4 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | K210 S211 N217 L218 | K210-V214 WeakPolarHBondContact O-CG2 3.33Å; K210-V214 PolarHBondContact O-N 3.18Å; S211-V214 PolarHBondContact O-N 2.93Å; V214-N217 PolarHBondContact O-N 3.1Å; V214-L218 WeakPolarHBondContact O-CB 3.32Å; V214-L218 PolarHBondContact O-N 2.9Å |
| 215 | L | 97.5 | Very high | 96.8 | Very high | 102 Ų | 102 | 103.5 Ų | 103.5 | 53% | 0.534 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 177.3 | -73.1 | 172.5 | 0 | 0 | 0 | 112.1 | S211 M212 E213 L218 G219 | S211-L215 WeakPolarHBondContact O-CG 3.32Å; S211-L215 PolarHBondContact O-N 3.28Å; M212-L215 PolarHBondContact O-N 3.47Å; M212-L215 HydrophobicContact SD-CD1 4.5Å; E213-L215 PolarHBondContact O-N 2.92Å; L215-L218 PolarHBondContact O-N 2.96Å; L215-G219 PolarHBondContact O-N 2.94Å |
| 216 | M | 96.7 | Very high | 96.6 | Very high | 125 Ų | 125 | 103 Ų | 103 | 62% | 0.616 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.3 | -48.4 | 176.7 | -172.7 | 178.2 | 72 | 0 | 0 | 111.3 | M212 E213 L218 G219 T220 | M212-M216 WeakPolarHBondContact O-CB 3.42Å; M212-M216 PolarHBondContact O-N 3.4Å; E213-M216 PolarHBondContact O-N 2.96Å; M216-L218 VanDerWaalsContact C-N 3.31Å; M216-L218 PolarHBondContact O-N 2.93Å; M216-G219 WeakPolarHBondContact O-CA 3.47Å; M216-G219 PolarHBondContact O-N 3Å; M216-G219 VanDerWaalsContact O-N 3.09Å; M216-T220 PolarHBondContact O-N 3.34Å; M216-T220 PolarHBondContact O-OG1 3.49Å |
| 217 | N | 96.8 | Very high | 96.3 | Very high | 86 Ų | 86 | 107.6 Ų | 107.6 | 46% | 0.46 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.6 | -38.9 | 177.7 | -71.1 | -24.2 | 0 | 0 | 0 | 112.2 | E213 V214 K221 | E213-N217 WeakPolarHBondContact O-CB 3.4Å; E213-N217 VanDerWaalsContact O-CG 3.29Å; E213-N217 PolarHBondContact O-N 3.36Å; E213-N217 PolarHBondContact O-ND2 3.47Å; V214-N217 PolarHBondContact O-N 3.1Å; N217-K221 WeakPolarHBondContact O-CB 3.34Å; N217-K221 PolarHBondContact O-N 3.36Å |
| 218 | L | 96.8 | Very high | 96 | Very high | 87 Ų | 87 | 103 Ų | 103 | 46% | 0.455 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 173.4 | -178 | 64.7 | 0 | 0 | 0 | 111.5 | V214 L215 M216 K221 N222 | V214-L218 WeakPolarHBondContact O-CB 3.32Å; V214-L218 PolarHBondContact O-N 2.9Å; L215-L218 PolarHBondContact O-N 2.96Å; M216-L218 VanDerWaalsContact C-N 3.31Å; M216-L218 PolarHBondContact O-N 2.93Å; L218-K221 PolarHBondContact O-N 3.24Å; L218-N222 WeakPolarHBondContact O-CB 3.47Å; L218-N222 VanDerWaalsContact O-CG 3.25Å; L218-N222 PolarHBondContact O-N 3.2Å |
| 219 | G | 95.2 | Very high | 95.7 | Very high | 38 Ų | 38 | 100.6 Ų | 100.6 | 39% | 0.392 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -56.8 | -51.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L215 M216 K221 N222 E223 | L215-G219 PolarHBondContact O-N 2.94Å; M216-G219 WeakPolarHBondContact O-CA 3.47Å; M216-G219 PolarHBondContact O-N 3Å; M216-G219 VanDerWaalsContact O-N 3.09Å; G219-K221 PolarHBondContact O-N 3.27Å; G219-N222 PolarHBondContact O-N 3.48Å; G219-E223 PolarHBondContact O-N 3.09Å |
| 220 | T | 95.9 | Very high | 95.3 | Very high | 72 Ų | 72 | 97.6 Ų | 97.6 | 44% | 0.442 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 176.8 | -52.8 | 0 | 0 | 0 | 0 | 111.9 | M216 N222 E223 D224 | M216-T220 PolarHBondContact O-N 3.34Å; M216-T220 PolarHBondContact O-OG1 3.49Å; T220-N222 VanDerWaalsContact C-N 3.31Å; T220-N222 PolarHBondContact O-N 3.02Å; T220-E223 WeakPolarHBondContact O-CB 3.45Å; T220-E223 PolarHBondContact O-N 3.4Å; T220-D224 PolarHBondContact O-N 2.9Å |
| 221 | K | 95.8 | Very high | 94.9 | Very high | 135 Ų | 135 | 92.3 Ų | 92.3 | 59% | 0.587 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.2 | -37.9 | 178.4 | -177.1 | 178.9 | 177.5 | 179.5 | 0 | 112.8 | N217 L218 G219 M225 | N217-K221 WeakPolarHBondContact O-CB 3.34Å; N217-K221 PolarHBondContact O-N 3.36Å; L218-K221 PolarHBondContact O-N 3.24Å; G219-K221 PolarHBondContact O-N 3.27Å; K221-M225 PolarHBondContact O-N 2.64Å; K221-M225 VanDerWaalsContact O-N 3.14Å |
| 222 | N | 94.8 | Very high | 94.4 | Very high | 77 Ų | 77 | 94.7 Ų | 94.7 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69 | -38.9 | 177.1 | -75.1 | -11 | 0 | 0 | 0 | 111.4 | L218 G219 T220 M225 L226 | L218-N222 WeakPolarHBondContact O-CB 3.47Å; L218-N222 VanDerWaalsContact O-CG 3.25Å; L218-N222 PolarHBondContact O-N 3.2Å; G219-N222 PolarHBondContact O-N 3.48Å; T220-N222 VanDerWaalsContact C-N 3.31Å; T220-N222 PolarHBondContact O-N 3.02Å; N222-M225 PolarHBondContact O-N 3.02Å; N222-L226 WeakPolarHBondContact O-CB 3.42Å; N222-L226 WeakPolarHBondContact O-CG 3.46Å; N222-L226 PolarHBondContact O-N 2.96Å |
| 223 | E | 94.1 | Very high | 93.9 | Very high | 138 Ų | 138 | 93.9 Ų | 93.9 | 65% | 0.645 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.9 | -46.8 | 174.8 | -171.7 | 173.4 | -171.2 | 0 | 0 | 111.5 | G219 T220 M225 L226 F227 | G219-E223 PolarHBondContact O-N 3.09Å; T220-E223 WeakPolarHBondContact O-CB 3.45Å; T220-E223 PolarHBondContact O-N 3.4Å; E223-M225 VanDerWaalsContact C-N 3.31Å; E223-M225 PolarHBondContact O-N 2.93Å; E223-L226 PolarHBondContact O-N 3.22Å; E223-F227 PolarHBondContact O-N 3.33Å |
| 224 | D | 93.9 | Very high | 93.4 | Very high | 110 Ų | 110 | 96.2 Ų | 96.2 | 59% | 0.588 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57.9 | -43.1 | 175.4 | -70 | -26 | 0 | 0 | 0 | 112 | T220 F227 G228 | T220-D224 PolarHBondContact O-N 2.9Å; D224-F227 PolarHBondContact O-N 3.48Å; D224-G228 PolarHBondContact O-N 2.9Å |
| 225 | M | 94.2 | Very high | 92.9 | Very high | 111 Ų | 111 | 99.1 Ų | 99.1 | 55% | 0.547 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.6 | -43.6 | 178.3 | -171.4 | -175.6 | -55.1 | 0 | 0 | 111.9 | K221 N222 E223 F227 G228 V229 | K221-M225 PolarHBondContact O-N 2.64Å; K221-M225 VanDerWaalsContact O-N 3.14Å; N222-M225 PolarHBondContact O-N 3.02Å; E223-M225 VanDerWaalsContact C-N 3.31Å; E223-M225 PolarHBondContact O-N 2.93Å; M225-F227 VanDerWaalsContact C-N 3.32Å; M225-F227 PolarHBondContact O-N 3.47Å; M225-G228 PolarHBondContact O-N 3.21Å; M225-V229 WeakPolarHBondContact O-CG2 3.45Å; M225-V229 PolarHBondContact O-N 3.42Å |
| 226 | L | 94 | Very high | 92.1 | Very high | 122 Ų | 122 | 100.8 Ų | 100.8 | 64% | 0.639 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.1 | -40.5 | 176.7 | -75.5 | 174.2 | 0 | 0 | 0 | 111.3 | N222 E223 G228 V229 D230 | N222-L226 WeakPolarHBondContact O-CB 3.42Å; N222-L226 WeakPolarHBondContact O-CG 3.46Å; N222-L226 PolarHBondContact O-N 2.96Å; E223-L226 PolarHBondContact O-N 3.22Å; L226-G228 VanDerWaalsContact C-N 3.31Å; L226-G228 PolarHBondContact O-N 3.47Å; L226-V229 PolarHBondContact O-N 3.3Å; L226-D230 VanDerWaalsContact O-CB 3.29Å; L226-D230 WeakPolarHBondContact O-CB 3.36Å; L226-D230 PolarHBondContact O-N 2.9Å |
| 227 | F | 92.3 | Very high | 91.1 | Very high | 162 Ų | 162 | 100.3 Ų | 100.3 | 71% | 0.711 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.8 | -40.3 | 174.2 | -170.3 | -97.1 | 0 | 0 | 0 | 111.9 | E223 D224 M225 G231 | E223-F227 PolarHBondContact O-N 3.33Å; D224-F227 PolarHBondContact O-N 3.48Å; M225-F227 VanDerWaalsContact C-N 3.32Å; M225-F227 PolarHBondContact O-N 3.47Å; F227-G231 PolarHBondContact O-N 3.46Å |
| 228 | G | 91.9 | Very high | 89.6 | Confident | 38 Ų | 38 | 101.6 Ų | 101.6 | 39% | 0.392 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60 | -50.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D224 M225 L226 G231 E232 | D224-G228 PolarHBondContact O-N 2.9Å; M225-G228 PolarHBondContact O-N 3.21Å; L226-G228 VanDerWaalsContact C-N 3.31Å; L226-G228 PolarHBondContact O-N 3.47Å; G228-G231 PolarHBondContact O-N 2.94Å; G228-E232 PolarHBondContact O-N 3.18Å |
| 229 | V | 91.7 | Very high | 87.6 | Confident | 72 Ų | 72 | 107.4 Ų | 107.4 | 44% | 0.436 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 178.7 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | M225 L226 G231 E232 L233 | M225-V229 WeakPolarHBondContact O-CG2 3.45Å; M225-V229 PolarHBondContact O-N 3.42Å; L226-V229 PolarHBondContact O-N 3.3Å; V229-G231 VanDerWaalsContact C-N 3.33Å; V229-G231 PolarHBondContact O-N 2.83Å; V229-E232 WeakPolarHBondContact O-CB 3.41Å; V229-E232 PolarHBondContact O-N 3.16Å; V229-E232 VanDerWaalsContact O-N 3.16Å; V229-L233 HydrophobicContact CG1-CD1 4.2Å; V229-L233 HydrophobicContact CG1-CG 4.48Å; V229-L233 WeakPolarHBondContact O-CG 3.47Å; V229-L233 PolarHBondContact O-N 3.48Å |
| 230 | D | 89.3 | Confident | 85.3 | Confident | 71 Ų | 71 | 114.4 Ų | 114.4 | 38% | 0.38 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.8 | -39.7 | 177.4 | -174.6 | 65.1 | 0 | 0 | 0 | 111.5 | L226 E232 L233 R234 | L226-D230 VanDerWaalsContact O-CB 3.29Å; L226-D230 WeakPolarHBondContact O-CB 3.36Å; L226-D230 PolarHBondContact O-N 2.9Å; D230-E232 VanDerWaalsContact C-N 3.32Å; D230-E232 PolarHBondContact O-N 3.32Å; D230-L233 PolarHBondContact O-N 2.92Å; D230-R234 WeakPolarHBondContact O-CB 3.29Å; D230-R234 PolarHBondContact O-N 2.92Å; D230-R234 IonicContact OD2-CZ 3.6Å; D230-R234 IonicContact OD2-NE 3.79Å; D230-R234 IonicContact OD2-NH2 2.7Å; D230-R234 PolarHBondContact OD2-NH2 3.38Å |
| 231 | G | 90.6 | Very high | 84.8 | Confident | 26 Ų | 26 | 116.5 Ų | 116.5 | 27% | 0.268 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -58.8 | -40.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F227 G228 V229 K235 | F227-G231 PolarHBondContact O-N 3.46Å; G228-G231 PolarHBondContact O-N 2.94Å; V229-G231 VanDerWaalsContact C-N 3.33Å; V229-G231 PolarHBondContact O-N 2.83Å; G231-K235 WeakPolarHBondContact O-CG 3.45Å; G231-K235 PolarHBondContact O-N 3.44Å |
| 232 | E | 87.9 | Confident | 84.2 | Confident | 112 Ų | 112 | 115.5 Ų | 115.5 | 52% | 0.523 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.7 | -42.7 | 174.3 | -71.6 | -172.8 | -172.7 | 0 | 0 | 113.1 | G228 V229 D230 R234 K235 K236 | G228-E232 PolarHBondContact O-N 3.18Å; V229-E232 WeakPolarHBondContact O-CB 3.41Å; V229-E232 PolarHBondContact O-N 3.16Å; V229-E232 VanDerWaalsContact O-N 3.16Å; D230-E232 VanDerWaalsContact C-N 3.32Å; D230-E232 PolarHBondContact O-N 3.32Å; E232-R234 VanDerWaalsContact C-N 3.31Å; E232-R234 PolarHBondContact O-N 3.48Å; E232-K235 PolarHBondContact O-N 3.07Å; E232-K236 WeakPolarHBondContact O-CG 3.26Å; E232-K236 PolarHBondContact O-N 3.03Å |
| 233 | L | 87.7 | Confident | 83.7 | Confident | 86 Ų | 86 | 117.7 Ų | 117.7 | 45% | 0.45 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.8 | -42.5 | 176.4 | -74.4 | 173.6 | 0 | 0 | 0 | 111.1 | V229 D230 K235 K236 N237 | V229-L233 HydrophobicContact CG1-CD1 4.2Å; V229-L233 HydrophobicContact CG1-CG 4.48Å; V229-L233 WeakPolarHBondContact O-CG 3.47Å; V229-L233 PolarHBondContact O-N 3.48Å; D230-L233 PolarHBondContact O-N 2.92Å; L233-K235 PolarHBondContact O-N 3.48Å; L233-K236 PolarHBondContact O-N 3.46Å; L233-N237 PolarHBondContact O-N 3.14Å |
| 234 | R | 85.8 | Confident | 83 | Confident | 156 Ų | 156 | 116.5 Ų | 116.5 | 59% | 0.589 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.5 | -40.3 | 177.6 | -152.3 | -179.1 | -55.8 | -142.4 | 5.4 | 112 | D230 E232 N237 V238 | D230-R234 WeakPolarHBondContact O-CB 3.29Å; D230-R234 PolarHBondContact O-N 2.92Å; D230-R234 IonicContact OD2-CZ 3.6Å; D230-R234 IonicContact OD2-NE 3.79Å; D230-R234 IonicContact OD2-NH2 2.7Å; D230-R234 PolarHBondContact OD2-NH2 3.38Å; E232-R234 VanDerWaalsContact C-N 3.31Å; E232-R234 PolarHBondContact O-N 3.48Å; R234-N237 PolarHBondContact O-N 3.31Å; R234-V238 VanDerWaalsContact O-CG2 3.26Å; R234-V238 WeakPolarHBondContact O-CG2 3.35Å; R234-V238 PolarHBondContact O-N 3.18Å |
| 235 | K | 87.8 | Confident | 82.4 | Confident | 156 Ų | 156 | 116.9 Ų | 116.9 | 68% | 0.678 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63 | -40.6 | 173.5 | -73.1 | 172.8 | -175.3 | 175.9 | 0 | 112.2 | G231 E232 L233 | G231-K235 WeakPolarHBondContact O-CG 3.45Å; G231-K235 PolarHBondContact O-N 3.44Å; E232-K235 PolarHBondContact O-N 3.07Å; L233-K235 PolarHBondContact O-N 3.48Å |
| 236 | K | 80.4 | Confident | 81.6 | Confident | 136 Ų | 136 | 117.3 Ų | 117.3 | 59% | 0.591 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.5 | -39.2 | 178.6 | -73.4 | 172.3 | -179.5 | 162.5 | 0 | 112.5 | E232 L233 V238 Y239 | E232-K236 WeakPolarHBondContact O-CG 3.26Å; E232-K236 PolarHBondContact O-N 3.03Å; L233-K236 PolarHBondContact O-N 3.46Å; K236-V238 VanDerWaalsContact C-N 3.33Å; K236-V238 PolarHBondContact O-N 3.3Å; K236-Y239 PolarHBondContact O-N 3.03Å |
| 237 | N | 77 | Confident | 80.7 | Confident | 115 Ų | 115 | 116.9 Ų | 116.9 | 62% | 0.615 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -76.6 | -12.7 | -178.7 | -72.6 | -18.6 | 0 | 0 | 0 | 114.5 | L233 R234 Y239 | L233-N237 PolarHBondContact O-N 3.14Å; R234-N237 PolarHBondContact O-N 3.31Å; N237-Y239 PolarHBondContact O-N 3.31Å |
| 238 | V | 65.7 | Low | 79.8 | Confident | 113 Ų | 113 | 113.5 Ų | 113.5 | 69% | 0.685 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -9.4 | 173.7 | 170.6 | 0 | 0 | 0 | 0 | 112.1 | R234 K236 | R234-V238 VanDerWaalsContact O-CG2 3.26Å; R234-V238 WeakPolarHBondContact O-CG2 3.35Å; R234-V238 PolarHBondContact O-N 3.18Å; K236-V238 VanDerWaalsContact C-N 3.33Å; K236-V238 PolarHBondContact O-N 3.3Å |
| 239 | Y | 54.7 | Low | 78.8 | Confident | 209 Ų | 209 | 119.8 Ų | 119.8 | 82% | 0.82 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | 17.9 | 179.2 | -81.9 | -83.3 | 0 | 0 | 0 | 114.4 | K236 N237 | K236-Y239 PolarHBondContact O-N 3.03Å; N237-Y239 PolarHBondContact O-N 3.31Å |
| 240 | V | 46.9 | Very low | 77.6 | Confident | 185 Ų | 185 | 124.1 Ų | 124.1 | 100% | 1.121 | 61% | 0.611 | S | S | * | * | trans | -120.3 | 0 | 171.7 | -176.6 | 0 | 0 | 0 | 0 | 109 |
Retrieved 240 of 240 residues in 451.2 ms
(Link to these results)