7R6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CE2 | CD2 | doub | 1.37Å | 1.39Å | Aromatic |
| CE2 | CZ | sing | 1.39Å | 1.39Å | Aromatic |
| CD2 | CG2 | sing | 1.40Å | 1.39Å | Aromatic |
| OH | CZ | sing | 1.36Å | 1.25Å | |
| CZ | CE1 | doub | 1.39Å | 1.39Å | Aromatic |
| CG2 | CB2 | sing | 1.46Å | 1.48Å | |
| CG2 | CD1 | doub | 1.40Å | 1.39Å | Aromatic |
| CB2 | CA2 | doub | 1.38Å | 1.49Å | |
| CE1 | CD1 | sing | 1.37Å | 1.39Å | Aromatic |
| O2 | C2 | doub | 1.22Å | 1.29Å | |
| CA2 | C2 | sing | 1.47Å | 1.40Å | |
| CA2 | N2 | sing | 1.36Å | 1.34Å | |
| C2 | N3 | sing | 1.35Å | 1.35Å | |
| C3 | O3 | doub | 1.21Å | 1.26Å | |
| C3 | CA3 | sing | 1.51Å | 1.51Å | |
| N2 | C1 | doub | 1.31Å | 1.34Å | |
| N3 | CA3 | sing | 1.46Å | 1.47Å | |
| N3 | C1 | sing | 1.38Å | 1.34Å | |
| C1 | CA1 | sing | 1.46Å | 1.48Å | |
| CA1 | CB1 | doub | 1.35Å | 1.33Å | |
| CB1 | CG1 | sing | 1.47Å | 1.48Å | |
| CG1 | CD3 | doub | 1.37Å | 1.39Å | Aromatic |
| CG1 | ND1 | sing | 1.36Å | 1.35Å | Aromatic |
| CD3 | NE1 | sing | 1.36Å | 1.35Å | Aromatic |
| ND1 | CE3 | doub | 1.30Å | 1.35Å | Aromatic |
| NE1 | CE3 | sing | 1.36Å | 1.35Å | Aromatic |
| C3 | OXT | sing | 1.34Å | 1.34Å | |
| CA1 | HA1 | sing | 1.08Å | 1.08Å | |
| CB1 | HB11 | sing | 1.08Å | 1.08Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| CB2 | HB21 | sing | 1.08Å | 1.08Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CD3 | HD3 | sing | 1.08Å | 1.08Å | |
| NE1 | HNE1 | sing | 0.97Å | 1.00Å | |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| OH | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD2 | CE2 | CZ | 120.1° | 120.1° |
| CE2 | CD2 | CG2 | 119.9° | 119.9° |
| CE2 | CD2 | HD2 | 120.1° | 120.0° |
| CD2 | CE2 | HE2 | 119.9° | 120.0° |
| CE2 | CZ | OH | 120.6° | 119.9° |
| CE2 | CZ | CE1 | 120.0° | 120.3° |
| CZ | CE2 | HE2 | 120.0° | 119.9° |
| CD2 | CG2 | CB2 | 121.2° | 120.1° |
| CD2 | CG2 | CD1 | 119.6° | 119.7° |
| CG2 | CD2 | HD2 | 120.1° | 120.1° |
| OH | CZ | CE1 | 119.3° | 119.9° |
| CZ | OH | H1 | 109.5° | 114.0° |
| CZ | CE1 | CD1 | 119.6° | 120.2° |
| CZ | CE1 | HE1 | 120.2° | 119.9° |
| CB2 | CG2 | CD1 | 119.1° | 120.1° |
| CG2 | CB2 | CA2 | 123.4° | 120.0° |
| CG2 | CB2 | HB21 | 118.3° | 120.0° |
| CG2 | CD1 | CE1 | 120.8° | 119.9° |
| CG2 | CD1 | HD1 | 119.6° | 120.1° |
| CB2 | CA2 | C2 | 130.6° | 126.9° |
| CB2 | CA2 | N2 | 123.5° | 127.0° |
| CA2 | CB2 | HB21 | 118.3° | 120.0° |
| CE1 | CD1 | HD1 | 119.6° | 120.1° |
| CD1 | CE1 | HE1 | 120.2° | 119.9° |
| O2 | C2 | CA2 | 126.3° | 127.3° |
| O2 | C2 | N3 | 125.3° | 127.2° |
| C2 | CA2 | N2 | 105.9° | 106.1° |
| CA2 | C2 | N3 | 108.4° | 105.6° |
| CA2 | N2 | C1 | 108.9° | 109.3° |
| C2 | N3 | CA3 | 128.6° | 125.9° |
| C2 | N3 | C1 | 107.2° | 108.2° |
| O3 | C3 | CA3 | 118.5° | 120.0° |
| O3 | C3 | OXT | 123.4° | 120.0° |
| C3 | CA3 | N3 | 118.5° | 109.5° |
| CA3 | C3 | OXT | 118.0° | 120.0° |
| C3 | CA3 | HA31 | 107.2° | 109.5° |
| C3 | CA3 | HA32 | 107.2° | 109.5° |
| N2 | C1 | N3 | 109.6° | 110.8° |
| N2 | C1 | CA1 | 125.1° | 124.6° |
| CA3 | N3 | C1 | 124.0° | 125.9° |
| N3 | CA3 | HA31 | 107.2° | 109.5° |
| N3 | CA3 | HA32 | 107.2° | 109.4° |
| N3 | C1 | CA1 | 125.3° | 124.6° |
| C1 | CA1 | CB1 | 118.2° | 120.0° |
| C1 | CA1 | HA1 | 120.9° | 120.0° |
| CA1 | CB1 | CG1 | 121.4° | 120.0° |
| CB1 | CA1 | HA1 | 120.9° | 120.0° |
| CA1 | CB1 | HB11 | 119.3° | 120.0° |
| CB1 | CG1 | CD3 | 124.6° | 126.2° |
| CB1 | CG1 | ND1 | 127.9° | 126.2° |
| CG1 | CB1 | HB11 | 119.3° | 120.0° |
| CD3 | CG1 | ND1 | 107.5° | 107.6° |
| CG1 | CD3 | NE1 | 107.7° | 106.7° |
| CG1 | CD3 | HD3 | 126.1° | 126.6° |
| CG1 | ND1 | CE3 | 107.7° | 109.0° |
| CD3 | NE1 | CE3 | 107.6° | 107.6° |
| NE1 | CD3 | HD3 | 126.2° | 126.7° |
| CD3 | NE1 | HNE1 | 126.2° | 126.2° |
| ND1 | CE3 | NE1 | 109.4° | 109.1° |
| ND1 | CE3 | HE3 | 125.3° | 125.5° |
| CE3 | NE1 | HNE1 | 126.1° | 126.2° |
| NE1 | CE3 | HE3 | 125.3° | 125.4° |
| C3 | OXT | HXT | 109.5° | 117.0° |
| HA31 | CA3 | HA32 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.9° |
| CE2 | CD2 | CG2 | HD2 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | OH | 179.7° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 0.0° | 0.4° |
| CE2 | CD2 | CG2 | CB2 | 179.8° | 180.0° |
| CE2 | CD2 | CG2 | CD1 | 0.3° | 0.3° |
| CZ | CE2 | CD2 | CG2 | 0.1° | 0.0° |
| CE2 | CZ | OH | CE1 | 179.7° | 179.6° |
| CE2 | CZ | CE1 | CD1 | 0.1° | 0.4° |
| CZ | CE2 | CD2 | HD2 | 179.9° | 179.9° |
| CE2 | CZ | CE1 | HE1 | 179.9° | 179.7° |
| CE2 | CZ | OH | H1 | 180.0° | 90.0° |
| CD2 | CG2 | CB2 | CD1 | 179.5° | 179.6° |
| CD2 | CG2 | CB2 | CA2 | 83.2° | 38.4° |
| CD2 | CG2 | CD1 | CE1 | 0.4° | 0.3° |
| CD2 | CG2 | CB2 | HB21 | 96.8° | 141.6° |
| CD2 | CG2 | CD1 | HD1 | 179.6° | 179.7° |
| CG2 | CD2 | CE2 | HE2 | 179.9° | 179.9° |
| OH | CZ | CE1 | CD1 | 179.8° | 180.0° |
| OH | CZ | CE1 | HE1 | 0.2° | 0.1° |
| OH | CZ | CE2 | HE2 | 0.3° | 0.1° |
| CZ | CE1 | CD1 | CG2 | 0.3° | 0.1° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 179.9° |
| CZ | CE1 | CD1 | HD1 | 179.7° | 180.0° |
| CE1 | CZ | CE2 | HE2 | 180.0° | 179.7° |
| CE1 | CZ | OH | H1 | 0.3° | 90.4° |
| CG2 | CB2 | CA2 | HB21 | 180.0° | 180.0° |
| CB2 | CG2 | CD1 | CE1 | 179.9° | 179.9° |
| CG2 | CB2 | CA2 | C2 | 28.5° | 8.4° |
| CG2 | CB2 | CA2 | N2 | 152.5° | 171.7° |
| CB2 | CG2 | CD1 | HD1 | 0.1° | 0.0° |
| CB2 | CG2 | CD2 | HD2 | 0.2° | 0.1° |
| CD1 | CG2 | CB2 | CA2 | 97.3° | 142.0° |
| CG2 | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG2 | CB2 | HB21 | 82.7° | 38.0° |
| CD1 | CG2 | CD2 | HD2 | 179.7° | 179.8° |
| CG2 | CD1 | CE1 | HE1 | 179.7° | 180.0° |
| CB2 | CA2 | C2 | O2 | 0.8° | 0.2° |
| CB2 | CA2 | C2 | N2 | 179.1° | 180.0° |
| CB2 | CA2 | C2 | N3 | 178.4° | 180.0° |
| CB2 | CA2 | N2 | C1 | 179.5° | 179.8° |
| O2 | C2 | CA2 | N3 | 179.2° | 179.8° |
| O2 | C2 | CA2 | N2 | 179.9° | 179.8° |
| O2 | C2 | N3 | CA3 | 4.2° | 0.1° |
| O2 | C2 | N3 | C1 | 179.3° | 180.0° |
| C2 | CA2 | N2 | C1 | 0.3° | 0.1° |
| CA2 | C2 | N3 | CA3 | 176.7° | 179.8° |
| CA2 | C2 | N3 | C1 | 1.5° | 0.2° |
| C2 | CA2 | CB2 | HB21 | 151.5° | 171.6° |
| N2 | CA2 | C2 | N3 | 0.8° | 0.1° |
| CA2 | N2 | C1 | N3 | 1.2° | 0.3° |
| CA2 | N2 | C1 | CA1 | 179.6° | 179.9° |
| N2 | CA2 | CB2 | HB21 | 27.5° | 8.4° |
| C2 | N3 | CA3 | C3 | 80.0° | 90.0° |
| C2 | N3 | C1 | N2 | 1.7° | 0.3° |
| C2 | N3 | CA3 | C1 | 174.4° | 179.9° |
| C2 | N3 | C1 | CA1 | 179.9° | 180.0° |
| C2 | N3 | CA3 | HA31 | 158.7° | 30.0° |
| C2 | N3 | CA3 | HA32 | 41.3° | 150.0° |
| O3 | C3 | CA3 | OXT | 179.4° | 180.0° |
| O3 | C3 | CA3 | N3 | 156.4° | 0.0° |
| O3 | C3 | CA3 | HA31 | 82.3° | 120.1° |
| O3 | C3 | CA3 | HA32 | 35.1° | 120.0° |
| O3 | C3 | OXT | HXT | 0.0° | 0.0° |
| C3 | CA3 | N3 | HA31 | 121.3° | 120.0° |
| C3 | CA3 | N3 | HA32 | 121.3° | 120.0° |
| C3 | CA3 | N3 | C1 | 105.6° | 89.9° |
| C3 | CA3 | HA31 | HA32 | 115.9° | 120.0° |
| CA3 | C3 | OXT | HXT | 179.4° | 180.0° |
| N2 | C1 | N3 | CA3 | 177.1° | 179.8° |
| N2 | C1 | N3 | CA1 | 178.4° | 179.7° |
| N2 | C1 | CA1 | CB1 | 0.3° | 0.1° |
| N2 | C1 | CA1 | HA1 | 179.7° | 179.7° |
| CA3 | N3 | C1 | CA1 | 4.5° | 0.1° |
| N3 | CA3 | C3 | OXT | 24.2° | 180.0° |
| N3 | CA3 | HA31 | HA32 | 115.9° | 120.0° |
| N3 | C1 | CA1 | CB1 | 178.5° | 179.7° |
| N3 | C1 | CA1 | HA1 | 1.5° | 0.1° |
| C1 | N3 | CA3 | HA31 | 15.7° | 150.0° |
| C1 | N3 | CA3 | HA32 | 133.1° | 30.0° |
| C1 | CA1 | CB1 | HA1 | 180.0° | 179.8° |
| C1 | CA1 | CB1 | CG1 | 179.9° | 179.7° |
| C1 | CA1 | CB1 | HB11 | 0.1° | 0.2° |
| CA1 | CB1 | CG1 | HB11 | 180.0° | 180.0° |
| CA1 | CB1 | CG1 | CD3 | 180.0° | 180.0° |
| CA1 | CB1 | CG1 | ND1 | 0.6° | 0.3° |
| CB1 | CG1 | CD3 | ND1 | 179.5° | 179.7° |
| CB1 | CG1 | CD3 | NE1 | 179.9° | 179.9° |
| CB1 | CG1 | ND1 | CE3 | 180.0° | 179.8° |
| CG1 | CB1 | CA1 | HA1 | 0.1° | 0.0° |
| CB1 | CG1 | CD3 | HD3 | 0.1° | 0.0° |
| CG1 | CD3 | NE1 | HD3 | 180.0° | 180.0° |
| CD3 | CG1 | ND1 | CE3 | 0.5° | 0.4° |
| CG1 | CD3 | NE1 | CE3 | 0.4° | 0.0° |
| CD3 | CG1 | CB1 | HB11 | 0.1° | 0.0° |
| CG1 | CD3 | NE1 | HNE1 | 179.6° | 179.9° |
| ND1 | CG1 | CD3 | NE1 | 0.6° | 0.2° |
| CG1 | ND1 | CE3 | NE1 | 0.2° | 0.5° |
| ND1 | CG1 | CB1 | HB11 | 179.4° | 179.7° |
| ND1 | CG1 | CD3 | HD3 | 179.4° | 179.7° |
| CG1 | ND1 | CE3 | HE3 | 179.8° | 179.8° |
| CD3 | NE1 | CE3 | ND1 | 0.2° | 0.3° |
| CD3 | NE1 | CE3 | HNE1 | 180.0° | 179.9° |
| CD3 | NE1 | CE3 | HE3 | 179.8° | 180.0° |
| ND1 | CE3 | NE1 | HE3 | 180.0° | 179.7° |
| ND1 | CE3 | NE1 | HNE1 | 179.8° | 179.8° |
| CE3 | NE1 | CD3 | HD3 | 179.6° | 180.0° |
| OXT | C3 | CA3 | HA31 | 97.1° | 59.9° |
| OXT | C3 | CA3 | HA32 | 145.5° | 60.0° |
| HA1 | CA1 | CB1 | HB11 | 179.9° | NaN° |
| HD1 | CD1 | CE1 | HE1 | 0.3° | 0.0° |
| HD2 | CD2 | CE2 | HE2 | 0.1° | 0.0° |
| HD3 | CD3 | NE1 | HNE1 | 0.4° | 0.1° |
| HNE1 | NE1 | CE3 | HE3 | 0.2° | 0.1° |
