HV8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA1 | sing | 1.47Å | 1.47Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| N | HN2A | sing | 1.01Å | 1.00Å | |
| CA1 | CB1 | sing | 1.53Å | 1.54Å | |
| CA1 | CM | sing | 1.53Å | 1.54Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CB1 | CG1 | sing | 1.51Å | 1.52Å | |
| CB1 | HB11 | sing | 1.09Å | 1.10Å | |
| CB1 | HB12 | sing | 1.09Å | 1.10Å | |
| CG1 | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CG1 | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | doub | 1.38Å | 1.40Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ1 | doub | 1.38Å | 1.39Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ1 | sing | 1.38Å | 1.40Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ1 | HZ1 | sing | 1.08Å | 1.08Å | |
| CM | OH | sing | 1.43Å | 1.42Å | |
| CM | CA2 | sing | 1.53Å | 1.52Å | |
| CM | HM | sing | 1.09Å | 1.10Å | |
| OH | HOH | sing | 0.97Å | 0.95Å | |
| N2 | CA2 | sing | 1.47Å | 1.47Å | |
| N2 | CB2 | sing | 1.47Å | 1.46Å | |
| N2 | HN2 | sing | 1.01Å | 1.00Å | |
| CA2 | C | sing | 1.51Å | 1.56Å | |
| CA2 | HA2 | sing | 1.09Å | 1.10Å | |
| CB2 | CG2 | sing | 1.51Å | 1.51Å | |
| CB2 | HB21 | sing | 1.09Å | 1.10Å | |
| CB2 | HB22 | sing | 1.09Å | 1.10Å | |
| CG2 | CD4 | doub | 1.38Å | 1.38Å | Aromatic |
| CG2 | CD3 | sing | 1.38Å | 1.39Å | Aromatic |
| CD4 | CE3 | sing | 1.38Å | 1.39Å | Aromatic |
| CD4 | HD4 | sing | 1.08Å | 1.08Å | |
| CE3 | CZ2 | doub | 1.39Å | 1.38Å | Aromatic |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| CD3 | CE4 | doub | 1.38Å | 1.40Å | Aromatic |
| CD3 | HD3 | sing | 1.08Å | 1.08Å | |
| CE4 | CZ2 | sing | 1.39Å | 1.40Å | Aromatic |
| CE4 | HE4 | sing | 1.08Å | 1.08Å | |
| CZ2 | OE2 | sing | 1.36Å | 1.39Å | |
| OE2 | CM2 | sing | 1.43Å | 1.45Å | |
| CM2 | HM21 | sing | 1.09Å | 1.10Å | |
| CM2 | HM22 | sing | 1.09Å | 1.10Å | |
| CM2 | HM23 | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA1 | N | HN1 | 109.5° | 111.0° |
| CA1 | N | HN2A | 109.5° | 111.0° |
| N | CA1 | CB1 | 110.0° | 109.4° |
| N | CA1 | CM | 115.0° | 109.5° |
| N | CA1 | HA1 | 105.0° | 109.5° |
| HN1 | N | HN2A | 109.4° | 111.0° |
| CB1 | CA1 | CM | 108.7° | 109.5° |
| CB1 | CA1 | HA1 | 111.7° | 109.4° |
| CA1 | CB1 | CG1 | 109.0° | 109.5° |
| CA1 | CB1 | HB11 | 109.6° | 109.4° |
| CA1 | CB1 | HB12 | 109.6° | 109.5° |
| CM | CA1 | HA1 | 106.4° | 109.5° |
| CA1 | CM | OH | 110.7° | 109.5° |
| CA1 | CM | CA2 | 110.6° | 109.5° |
| CA1 | CM | HM | 106.5° | 109.5° |
| CG1 | CB1 | HB11 | 109.6° | 109.4° |
| CG1 | CB1 | HB12 | 109.6° | 109.5° |
| CB1 | CG1 | CD1 | 120.0° | 120.0° |
| CB1 | CG1 | CD2 | 119.8° | 120.0° |
| HB11 | CB1 | HB12 | 109.3° | 109.5° |
| CD1 | CG1 | CD2 | 120.0° | 120.0° |
| CG1 | CD1 | CE1 | 120.5° | 120.0° |
| CG1 | CD1 | HD1 | 119.7° | 120.0° |
| CG1 | CD2 | CE2 | 118.4° | 120.0° |
| CG1 | CD2 | HD2 | 120.8° | 120.0° |
| CE1 | CD1 | HD1 | 119.7° | 120.0° |
| CD1 | CE1 | CZ1 | 120.9° | 120.0° |
| CD1 | CE1 | HE1 | 119.6° | 120.0° |
| CE2 | CD2 | HD2 | 120.8° | 120.0° |
| CD2 | CE2 | CZ1 | 122.2° | 120.0° |
| CD2 | CE2 | HE2 | 118.9° | 119.9° |
| CZ1 | CE1 | HE1 | 119.5° | 120.0° |
| CE1 | CZ1 | CE2 | 117.9° | 120.0° |
| CE1 | CZ1 | HZ1 | 121.1° | 120.0° |
| CZ1 | CE2 | HE2 | 118.9° | 120.0° |
| CE2 | CZ1 | HZ1 | 121.0° | 120.0° |
| OH | CM | CA2 | 105.0° | 109.5° |
| OH | CM | HM | 111.9° | 109.5° |
| CM | OH | HOH | 109.5° | 114.0° |
| CA2 | CM | HM | 112.1° | 109.5° |
| CM | CA2 | N2 | 112.1° | 109.5° |
| CM | CA2 | C | 114.9° | 109.5° |
| CM | CA2 | HA2 | 115.4° | 109.5° |
| CA2 | N2 | CB2 | 123.1° | 111.0° |
| CA2 | N2 | HN2 | 105.1° | 111.0° |
| N2 | CA2 | C | 126.2° | 109.4° |
| N2 | CA2 | HA2 | 94.0° | 109.5° |
| CB2 | N2 | HN2 | 105.2° | 111.0° |
| N2 | CB2 | CG2 | 116.8° | 109.5° |
| N2 | CB2 | HB21 | 107.1° | 109.4° |
| N2 | CB2 | HB22 | 107.1° | 109.5° |
| C | CA2 | HA2 | 88.7° | 109.5° |
| CA2 | C | O | 120.5° | 120.0° |
| CA2 | C | OXT | 122.5° | 120.0° |
| CG2 | CB2 | HB21 | 107.1° | 109.5° |
| CG2 | CB2 | HB22 | 107.1° | 109.5° |
| CB2 | CG2 | CD4 | 118.1° | 120.0° |
| CB2 | CG2 | CD3 | 121.3° | 119.9° |
| HB21 | CB2 | HB22 | 111.8° | 109.5° |
| CD4 | CG2 | CD3 | 120.6° | 120.1° |
| CG2 | CD4 | CE3 | 120.3° | 120.1° |
| CG2 | CD4 | HD4 | 119.8° | 120.0° |
| CG2 | CD3 | CE4 | 119.4° | 120.1° |
| CG2 | CD3 | HD3 | 120.3° | 120.0° |
| CE3 | CD4 | HD4 | 119.9° | 119.9° |
| CD4 | CE3 | CZ2 | 120.0° | 119.9° |
| CD4 | CE3 | HE3 | 120.0° | 120.1° |
| CZ2 | CE3 | HE3 | 119.9° | 120.0° |
| CE3 | CZ2 | CE4 | 119.9° | 119.9° |
| CE3 | CZ2 | OE2 | 116.2° | 120.1° |
| CE4 | CD3 | HD3 | 120.3° | 119.9° |
| CD3 | CE4 | CZ2 | 119.7° | 119.9° |
| CD3 | CE4 | HE4 | 120.1° | 120.0° |
| CZ2 | CE4 | HE4 | 120.2° | 120.1° |
| CE4 | CZ2 | OE2 | 123.8° | 120.0° |
| CZ2 | OE2 | CM2 | 119.4° | 117.1° |
| OE2 | CM2 | HM21 | 109.5° | 109.4° |
| OE2 | CM2 | HM22 | 109.5° | 109.5° |
| OE2 | CM2 | HM23 | 109.4° | 109.5° |
| HM21 | CM2 | HM22 | 109.4° | 109.5° |
| HM21 | CM2 | HM23 | 109.5° | 109.5° |
| HM22 | CM2 | HM23 | 109.5° | 109.5° |
| O | C | OXT | 117.0° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA1 | N | HN1 | HN2A | 120.0° | 124.0° |
| N | CA1 | CB1 | CM | 126.7° | 120.0° |
| N | CA1 | CB1 | HA1 | 116.2° | 120.0° |
| N | CA1 | CM | HA1 | 115.7° | 120.1° |
| N | CA1 | CB1 | CG1 | 52.5° | 65.0° |
| N | CA1 | CB1 | HB11 | 67.5° | 55.0° |
| N | CA1 | CB1 | HB12 | 172.5° | 175.0° |
| N | CA1 | CM | OH | 27.9° | 62.7° |
| N | CA1 | CM | CA2 | 88.1° | 57.3° |
| N | CA1 | CM | HM | 149.8° | 177.2° |
| HN1 | N | CA1 | CB1 | 180.0° | 60.0° |
| HN1 | N | CA1 | CM | 56.9° | 60.0° |
| HN1 | N | CA1 | HA1 | 59.7° | 179.9° |
| HN2A | N | CA1 | CB1 | 60.0° | 64.0° |
| HN2A | N | CA1 | CM | 63.1° | 176.0° |
| HN2A | N | CA1 | HA1 | 179.7° | 55.9° |
| CB1 | CA1 | CM | HA1 | 120.4° | 120.0° |
| CA1 | CB1 | CG1 | HB11 | 120.0° | 119.9° |
| CA1 | CB1 | CG1 | HB12 | 120.0° | 120.0° |
| CA1 | CB1 | HB11 | HB12 | 120.2° | 120.0° |
| CA1 | CB1 | CG1 | CD1 | 70.1° | 90.0° |
| CA1 | CB1 | CG1 | CD2 | 104.8° | 90.2° |
| CB1 | CA1 | CM | OH | 95.9° | 57.2° |
| CB1 | CA1 | CM | CA2 | 148.1° | 177.2° |
| CB1 | CA1 | CM | HM | 26.0° | 62.8° |
| CM | CA1 | CB1 | CG1 | 179.2° | 175.0° |
| CM | CA1 | CB1 | HB11 | 59.2° | 65.0° |
| CM | CA1 | CB1 | HB12 | 60.8° | 55.0° |
| CA1 | CM | OH | CA2 | 119.4° | 120.0° |
| CA1 | CM | OH | HM | 118.7° | 120.0° |
| CA1 | CM | CA2 | HM | 118.7° | 120.0° |
| CA1 | CM | OH | HOH | 180.0° | 60.0° |
| CA1 | CM | CA2 | N2 | 64.6° | 64.9° |
| CA1 | CM | CA2 | C | 88.4° | 175.1° |
| CA1 | CM | CA2 | HA2 | 170.6° | 55.1° |
| HA1 | CA1 | CB1 | CG1 | 63.7° | 55.0° |
| HA1 | CA1 | CB1 | HB11 | 176.3° | 174.9° |
| HA1 | CA1 | CB1 | HB12 | 56.3° | 65.0° |
| HA1 | CA1 | CM | OH | 143.6° | 177.2° |
| HA1 | CA1 | CM | CA2 | 27.7° | 62.8° |
| HA1 | CA1 | CM | HM | 94.4° | 57.2° |
| CG1 | CB1 | HB11 | HB12 | 120.2° | 120.0° |
| CB1 | CG1 | CD1 | CD2 | 174.9° | 179.8° |
| CB1 | CG1 | CD1 | CE1 | 174.9° | 180.0° |
| CB1 | CG1 | CD1 | HD1 | 5.1° | 0.0° |
| CB1 | CG1 | CD2 | CE2 | 174.6° | 180.0° |
| CB1 | CG1 | CD2 | HD2 | 5.4° | 0.1° |
| HB11 | CB1 | CG1 | CD1 | 169.9° | 30.0° |
| HB11 | CB1 | CG1 | CD2 | 15.2° | 149.8° |
| HB12 | CB1 | CG1 | CD1 | 49.9° | 150.1° |
| HB12 | CB1 | CG1 | CD2 | 135.2° | 29.7° |
| CG1 | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG1 | CD2 | CE2 | 0.3° | 0.2° |
| CD1 | CG1 | CD2 | HD2 | 179.6° | 179.7° |
| CG1 | CD1 | CE1 | CZ1 | 0.5° | 0.0° |
| CG1 | CD1 | CE1 | HE1 | 179.5° | 180.0° |
| CD2 | CG1 | CD1 | CE1 | 0.1° | 0.2° |
| CD2 | CG1 | CD1 | HD1 | 180.0° | 179.8° |
| CG1 | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CG1 | CD2 | CE2 | CZ1 | 0.1° | 0.0° |
| CG1 | CD2 | CE2 | HE2 | 179.9° | 179.9° |
| CD1 | CE1 | CZ1 | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ1 | CE2 | 0.7° | 0.2° |
| CD1 | CE1 | CZ1 | HZ1 | 179.3° | 179.9° |
| HD1 | CD1 | CE1 | CZ1 | 179.5° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.5° | 0.1° |
| CD2 | CE2 | CZ1 | CE1 | 0.5° | 0.3° |
| CD2 | CE2 | CZ1 | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ1 | HZ1 | 179.5° | 179.9° |
| HD2 | CD2 | CE2 | CZ1 | 179.9° | 179.9° |
| HD2 | CD2 | CE2 | HE2 | 0.1° | 0.0° |
| CE1 | CZ1 | CE2 | HZ1 | 180.0° | 179.8° |
| CE1 | CZ1 | CE2 | HE2 | 179.5° | 179.7° |
| HE1 | CE1 | CZ1 | CE2 | 179.3° | 179.8° |
| HE1 | CE1 | CZ1 | HZ1 | 0.7° | 0.0° |
| HE2 | CE2 | CZ1 | HZ1 | 0.5° | 0.1° |
| OH | CM | CA2 | HM | 121.8° | 120.0° |
| OH | CM | CA2 | N2 | 54.9° | 175.1° |
| OH | CM | CA2 | C | 152.1° | 55.1° |
| OH | CM | CA2 | HA2 | 51.1° | 64.9° |
| CA2 | CM | OH | HOH | 60.6° | 60.0° |
| CM | CA2 | N2 | C | 149.2° | 120.0° |
| CM | CA2 | N2 | HA2 | 119.5° | 120.0° |
| CM | CA2 | N2 | CB2 | 142.5° | 155.0° |
| CM | CA2 | N2 | HN2 | 22.5° | 31.0° |
| CM | CA2 | C | HA2 | 117.5° | 120.0° |
| CM | CA2 | C | O | 95.7° | 92.6° |
| CM | CA2 | C | OXT | 88.0° | 87.4° |
| HM | CM | OH | HOH | 61.3° | 180.0° |
| HM | CM | CA2 | N2 | 176.7° | 55.1° |
| HM | CM | CA2 | C | 30.4° | 64.9° |
| HM | CM | CA2 | HA2 | 70.7° | 175.1° |
| CA2 | N2 | CB2 | HN2 | 120.0° | 123.9° |
| N2 | CA2 | C | HA2 | 94.0° | 120.0° |
| CA2 | N2 | CB2 | CG2 | 50.0° | 180.0° |
| CA2 | N2 | CB2 | HB21 | 70.0° | 60.0° |
| CA2 | N2 | CB2 | HB22 | 170.0° | 60.0° |
| N2 | CA2 | C | O | 52.8° | 27.4° |
| N2 | CA2 | C | OXT | 123.5° | 152.6° |
| CB2 | N2 | CA2 | C | 68.3° | 85.0° |
| CB2 | N2 | CA2 | HA2 | 23.0° | 34.9° |
| N2 | CB2 | CG2 | HB21 | 120.0° | 119.9° |
| N2 | CB2 | CG2 | HB22 | 120.0° | 120.0° |
| N2 | CB2 | HB21 | HB22 | 117.0° | 120.0° |
| N2 | CB2 | CG2 | CD4 | 73.9° | 90.0° |
| N2 | CB2 | CG2 | CD3 | 102.8° | 90.3° |
| HN2 | N2 | CA2 | C | 171.7° | 151.0° |
| HN2 | N2 | CA2 | HA2 | 97.0° | 89.0° |
| HN2 | N2 | CB2 | CG2 | 170.0° | 56.1° |
| HN2 | N2 | CB2 | HB21 | 50.0° | 176.1° |
| HN2 | N2 | CB2 | HB22 | 70.0° | 63.9° |
| CA2 | C | O | OXT | 176.5° | 180.0° |
| CA2 | C | OXT | HXT | 176.4° | 180.0° |
| HA2 | CA2 | C | O | 146.8° | 147.4° |
| HA2 | CA2 | C | OXT | 29.5° | 32.6° |
| CG2 | CB2 | HB21 | HB22 | 117.0° | 120.0° |
| CB2 | CG2 | CD4 | CD3 | 176.7° | 179.7° |
| CB2 | CG2 | CD4 | CE3 | 176.6° | 180.0° |
| CB2 | CG2 | CD4 | HD4 | 3.4° | 0.1° |
| CB2 | CG2 | CD3 | CE4 | 176.9° | 180.0° |
| CB2 | CG2 | CD3 | HD3 | 3.1° | 0.0° |
| HB21 | CB2 | CG2 | CD4 | 166.1° | 30.0° |
| HB21 | CB2 | CG2 | CD3 | 17.2° | 149.7° |
| HB22 | CB2 | CG2 | CD4 | 46.1° | 150.0° |
| HB22 | CB2 | CG2 | CD3 | 137.2° | 29.7° |
| CG2 | CD4 | CE3 | HD4 | 180.0° | 179.9° |
| CG2 | CD4 | CE3 | CZ2 | 0.3° | 0.0° |
| CG2 | CD4 | CE3 | HE3 | 179.7° | 179.9° |
| CD4 | CG2 | CD3 | CE4 | 0.3° | 0.2° |
| CD4 | CG2 | CD3 | HD3 | 179.7° | 179.7° |
| CD3 | CG2 | CD4 | CE3 | 0.2° | 0.3° |
| CD3 | CG2 | CD4 | HD4 | 179.9° | 179.8° |
| CG2 | CD3 | CE4 | HD3 | 180.0° | 180.0° |
| CG2 | CD3 | CE4 | CZ2 | 1.1° | 0.1° |
| CG2 | CD3 | CE4 | HE4 | 178.9° | 180.0° |
| CD4 | CE3 | CZ2 | HE3 | 180.0° | 179.9° |
| CD4 | CE3 | CZ2 | CE4 | 1.2° | 0.3° |
| CD4 | CE3 | CZ2 | OE2 | 175.1° | 180.0° |
| HD4 | CD4 | CE3 | CZ2 | 179.7° | 180.0° |
| HD4 | CD4 | CE3 | HE3 | 0.3° | 0.0° |
| CE3 | CZ2 | CE4 | CD3 | 1.6° | 0.3° |
| CE3 | CZ2 | CE4 | OE2 | 175.9° | 179.8° |
| CE3 | CZ2 | CE4 | HE4 | 178.4° | 179.7° |
| CE3 | CZ2 | OE2 | CM2 | 154.3° | 180.0° |
| HE3 | CE3 | CZ2 | CE4 | 178.8° | 179.8° |
| HE3 | CE3 | CZ2 | OE2 | 4.9° | 0.0° |
| CD3 | CE4 | CZ2 | HE4 | 180.0° | 180.0° |
| CD3 | CE4 | CZ2 | OE2 | 174.4° | 179.9° |
| HD3 | CD3 | CE4 | CZ2 | 178.9° | 180.0° |
| HD3 | CD3 | CE4 | HE4 | 1.2° | 0.0° |
| CE4 | CZ2 | OE2 | CM2 | 29.6° | 0.2° |
| HE4 | CE4 | CZ2 | OE2 | 5.7° | 0.1° |
| CZ2 | OE2 | CM2 | HM21 | 180.0° | 60.0° |
| CZ2 | OE2 | CM2 | HM22 | 60.0° | 60.0° |
| CZ2 | OE2 | CM2 | HM23 | 60.0° | 180.0° |
| OE2 | CM2 | HM21 | HM22 | 120.0° | 120.0° |
| OE2 | CM2 | HM21 | HM23 | 120.0° | 120.0° |
| OE2 | CM2 | HM22 | HM23 | 120.0° | 120.0° |
| HM21 | CM2 | HM22 | HM23 | 120.0° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
