NYG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OD1 | CG1 | doub | 1.23Å | 1.23Å | |
| CG1 | CB1 | sing | 1.52Å | 1.54Å | |
| CG1 | ND1 | sing | 1.38Å | 1.33Å | |
| ND1 | HD11 | sing | 1.01Å | 1.00Å | |
| ND1 | HD12 | sing | 1.02Å | 1.00Å | |
| CB1 | CA1 | sing | 1.52Å | 1.55Å | |
| CB1 | HB11 | sing | 1.10Å | 1.10Å | |
| CB1 | HB12 | sing | 1.10Å | 1.10Å | |
| CA1 | C1 | sing | 1.49Å | 1.43Å | |
| CA1 | N1 | sing | 1.44Å | 1.37Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| N1 | H | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | N2 | doub | 1.30Å | 1.28Å | |
| C1 | N3 | sing | 1.35Å | 1.40Å | |
| N3 | C2 | sing | 1.37Å | 1.38Å | |
| N3 | CA3 | sing | 1.45Å | 1.43Å | |
| CA3 | C3 | sing | 1.50Å | 1.49Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| C3 | OXT | sing | 1.36Å | 1.34Å | |
| C3 | O3 | doub | 1.22Å | 1.23Å | |
| N2 | CA2 | sing | 1.37Å | 1.38Å | |
| CA2 | CB2 | doub | 1.33Å | 1.35Å | |
| CA2 | C2 | sing | 1.48Å | 1.46Å | |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| CB2 | CG2 | sing | 1.43Å | 1.46Å | |
| CB2 | HB2 | sing | 1.09Å | 1.08Å | |
| CG2 | CD1 | doub | 1.40Å | 1.40Å | Aromatic |
| CG2 | CD2 | sing | 1.41Å | 1.40Å | Aromatic |
| CD2 | CE2 | doub | 1.39Å | 1.41Å | Aromatic |
| CD2 | HD2 | sing | 1.09Å | 1.08Å | |
| CE2 | CZ | sing | 1.39Å | 1.37Å | Aromatic |
| CE2 | HE2 | sing | 1.09Å | 1.08Å | |
| CZ | OH | sing | 1.36Å | 1.41Å | |
| CZ | CE1 | doub | 1.39Å | 1.41Å | Aromatic |
| OH | HOH | sing | 0.97Å | 0.95Å | |
| CE1 | CD1 | sing | 1.39Å | 1.38Å | Aromatic |
| CE1 | HE1 | sing | 1.09Å | 1.08Å | |
| CD1 | HD1 | sing | 1.09Å | 1.08Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OD1 | CG1 | CB1 | 120.7° | 124.1° |
| OD1 | CG1 | ND1 | 122.0° | 123.7° |
| CB1 | CG1 | ND1 | 117.3° | 112.3° |
| CG1 | CB1 | CA1 | 113.4° | 113.1° |
| CG1 | CB1 | HB11 | 108.2° | 107.3° |
| CG1 | CB1 | HB12 | 107.3° | 108.5° |
| CG1 | ND1 | HD11 | 109.6° | 122.3° |
| CG1 | ND1 | HD12 | 125.2° | 120.9° |
| HD11 | ND1 | HD12 | 125.2° | 116.7° |
| CA1 | CB1 | HB11 | 108.2° | 109.8° |
| CA1 | CB1 | HB12 | 107.3° | 110.8° |
| CB1 | CA1 | C1 | 109.3° | 110.9° |
| CB1 | CA1 | N1 | 108.8° | 112.2° |
| CB1 | CA1 | HA1 | 113.4° | 112.2° |
| HB11 | CB1 | HB12 | 112.6° | 107.3° |
| C1 | CA1 | N1 | 117.8° | 105.0° |
| C1 | CA1 | HA1 | 103.5° | 108.3° |
| CA1 | C1 | N2 | 123.6° | 123.1° |
| CA1 | C1 | N3 | 126.4° | 121.2° |
| N1 | CA1 | HA1 | 104.1° | 107.8° |
| CA1 | N1 | H | 109.5° | 119.2° |
| CA1 | N1 | H2 | 109.4° | 119.2° |
| H | N1 | H2 | 109.5° | 120.3° |
| N2 | C1 | N3 | 110.0° | 115.7° |
| C1 | N2 | CA2 | 108.9° | 104.1° |
| C1 | N3 | C2 | 110.1° | 107.9° |
| C1 | N3 | CA3 | 124.8° | 127.3° |
| C2 | N3 | CA3 | 124.6° | 124.8° |
| N3 | C2 | CA2 | 101.9° | 102.3° |
| N3 | C2 | O2 | 130.0° | 130.9° |
| N3 | CA3 | C3 | 123.2° | 108.6° |
| N3 | CA3 | HA31 | 105.2° | 109.0° |
| N3 | CA3 | HA32 | 102.0° | 109.1° |
| C3 | CA3 | HA31 | 105.1° | 109.6° |
| C3 | CA3 | HA32 | 101.9° | 109.9° |
| CA3 | C3 | OXT | 116.0° | 109.9° |
| CA3 | C3 | O3 | 117.7° | 126.5° |
| HA31 | CA3 | HA32 | 121.0° | 110.6° |
| OXT | C3 | O3 | 126.1° | 123.6° |
| C3 | OXT | HXT | 109.5° | 111.9° |
| N2 | CA2 | CB2 | 130.5° | 126.8° |
| N2 | CA2 | C2 | 109.0° | 110.1° |
| CB2 | CA2 | C2 | 120.5° | 123.2° |
| CA2 | CB2 | CG2 | 133.6° | 124.7° |
| CA2 | CB2 | HB2 | 113.2° | 117.6° |
| CA2 | C2 | O2 | 128.1° | 126.8° |
| CG2 | CB2 | HB2 | 113.2° | 117.7° |
| CB2 | CG2 | CD1 | 122.4° | 120.8° |
| CB2 | CG2 | CD2 | 119.5° | 120.7° |
| CD1 | CG2 | CD2 | 117.8° | 118.6° |
| CG2 | CD1 | CE1 | 121.3° | 120.7° |
| CG2 | CD1 | HD1 | 119.3° | 120.2° |
| CG2 | CD2 | CE2 | 121.1° | 120.7° |
| CG2 | CD2 | HD2 | 119.4° | 120.1° |
| CE2 | CD2 | HD2 | 119.5° | 119.2° |
| CD2 | CE2 | CZ | 119.5° | 120.0° |
| CD2 | CE2 | HE2 | 120.2° | 119.7° |
| CZ | CE2 | HE2 | 120.2° | 120.4° |
| CE2 | CZ | OH | 120.7° | 120.0° |
| CE2 | CZ | CE1 | 119.9° | 120.0° |
| OH | CZ | CE1 | 119.4° | 120.0° |
| CZ | OH | HOH | 109.5° | 110.3° |
| CZ | CE1 | CD1 | 120.1° | 120.0° |
| CZ | CE1 | HE1 | 119.9° | 120.4° |
| CD1 | CE1 | HE1 | 120.0° | 119.6° |
| CE1 | CD1 | HD1 | 119.4° | 119.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OD1 | CG1 | CB1 | ND1 | 179.2° | 179.9° |
| OD1 | CG1 | ND1 | HD11 | 179.6° | 180.0° |
| OD1 | CG1 | ND1 | HD12 | 0.4° | 0.1° |
| OD1 | CG1 | CB1 | CA1 | 143.2° | 31.3° |
| OD1 | CG1 | CB1 | HB11 | 23.3° | 89.9° |
| OD1 | CG1 | CB1 | HB12 | 98.5° | 154.6° |
| CB1 | CG1 | ND1 | HD11 | 0.4° | 0.1° |
| CB1 | CG1 | ND1 | HD12 | 179.7° | 180.0° |
| CG1 | CB1 | CA1 | HB11 | 120.0° | 119.7° |
| CG1 | CB1 | CA1 | HB12 | 118.3° | 122.0° |
| CG1 | CB1 | HB11 | HB12 | 118.4° | 116.3° |
| CG1 | CB1 | CA1 | C1 | 172.5° | 60.3° |
| CG1 | CB1 | CA1 | N1 | 57.7° | 177.4° |
| CG1 | CB1 | CA1 | HA1 | 57.6° | 61.1° |
| CG1 | ND1 | HD11 | HD12 | 180.0° | 180.0° |
| ND1 | CG1 | CB1 | CA1 | 36.0° | 148.8° |
| ND1 | CG1 | CB1 | HB11 | 156.0° | 90.0° |
| ND1 | CG1 | CB1 | HB12 | 82.3° | 25.5° |
| CA1 | CB1 | HB11 | HB12 | 118.4° | 120.4° |
| CB1 | CA1 | C1 | N1 | 124.7° | 121.4° |
| CB1 | CA1 | C1 | HA1 | 121.2° | 123.5° |
| CB1 | CA1 | N1 | HA1 | 121.2° | 124.0° |
| CB1 | CA1 | N1 | H | 73.9° | 131.1° |
| CB1 | CA1 | N1 | H2 | 46.1° | 35.4° |
| CB1 | CA1 | C1 | N2 | 11.2° | 26.4° |
| CB1 | CA1 | C1 | N3 | 167.9° | 153.3° |
| HB11 | CB1 | CA1 | C1 | 67.5° | 180.0° |
| HB11 | CB1 | CA1 | N1 | 62.3° | 62.9° |
| HB11 | CB1 | CA1 | HA1 | 177.6° | 58.7° |
| HB12 | CB1 | CA1 | C1 | 54.2° | 61.8° |
| HB12 | CB1 | CA1 | N1 | 176.0° | 55.4° |
| HB12 | CB1 | CA1 | HA1 | 60.7° | 176.9° |
| C1 | CA1 | N1 | HA1 | 113.8° | 115.4° |
| C1 | CA1 | N1 | H | 51.1° | 108.2° |
| C1 | CA1 | N1 | H2 | 171.1° | 85.2° |
| CA1 | C1 | N2 | N3 | 179.3° | 179.8° |
| CA1 | C1 | N3 | C2 | 178.2° | 180.0° |
| CA1 | C1 | N3 | CA3 | 6.2° | 0.1° |
| CA1 | C1 | N2 | CA2 | 178.4° | 179.9° |
| CA1 | N1 | H | H2 | 120.0° | 166.4° |
| N1 | CA1 | C1 | N2 | 113.5° | 95.0° |
| N1 | CA1 | C1 | N3 | 67.3° | 85.2° |
| HA1 | CA1 | N1 | H | 164.9° | 7.1° |
| HA1 | CA1 | N1 | H2 | 75.1° | 159.4° |
| HA1 | CA1 | C1 | N2 | 132.4° | 150.0° |
| HA1 | CA1 | C1 | N3 | 46.8° | 29.8° |
| N2 | C1 | N3 | C2 | 2.5° | 0.2° |
| N2 | C1 | N3 | CA3 | 174.6° | 179.9° |
| C1 | N2 | CA2 | CB2 | 178.7° | 179.9° |
| C1 | N2 | CA2 | C2 | 1.3° | 0.0° |
| C1 | N3 | C2 | CA3 | 172.1° | 179.9° |
| C1 | N3 | CA3 | C3 | 105.1° | 89.5° |
| C1 | N3 | CA3 | HA31 | 134.9° | 29.9° |
| C1 | N3 | CA3 | HA32 | 7.9° | 150.7° |
| N3 | C1 | N2 | CA2 | 2.3° | 0.1° |
| C1 | N3 | C2 | CA2 | 1.5° | 0.2° |
| C1 | N3 | C2 | O2 | 177.4° | 179.9° |
| C2 | N3 | CA3 | C3 | 84.0° | 90.7° |
| C2 | N3 | CA3 | HA31 | 36.0° | 150.0° |
| C2 | N3 | CA3 | HA32 | 163.1° | 29.1° |
| N3 | C2 | CA2 | N2 | 0.2° | 0.1° |
| N3 | C2 | CA2 | CB2 | 179.8° | 180.0° |
| N3 | C2 | CA2 | O2 | 179.0° | 180.0° |
| N3 | CA3 | C3 | HA31 | 120.0° | 119.0° |
| N3 | CA3 | C3 | HA32 | 113.0° | 119.3° |
| N3 | CA3 | HA31 | HA32 | 114.4° | 120.0° |
| N3 | CA3 | C3 | OXT | 22.2° | 179.0° |
| N3 | CA3 | C3 | O3 | 161.2° | 1.0° |
| CA3 | N3 | C2 | CA2 | 173.6° | 180.0° |
| CA3 | N3 | C2 | O2 | 5.3° | 0.0° |
| C3 | CA3 | HA31 | HA32 | 114.3° | 121.3° |
| CA3 | C3 | OXT | O3 | 176.3° | 180.0° |
| CA3 | C3 | OXT | HXT | 176.3° | 180.0° |
| HA31 | CA3 | C3 | OXT | 142.2° | 60.0° |
| HA31 | CA3 | C3 | O3 | 41.2° | 120.0° |
| HA32 | CA3 | C3 | OXT | 90.8° | 61.7° |
| HA32 | CA3 | C3 | O3 | 85.8° | 118.3° |
| O3 | C3 | OXT | HXT | 0.0° | 0.0° |
| N2 | CA2 | CB2 | C2 | 180.0° | 179.9° |
| N2 | CA2 | C2 | O2 | 178.8° | 179.9° |
| N2 | CA2 | CB2 | CG2 | 4.2° | 1.6° |
| N2 | CA2 | CB2 | HB2 | 175.8° | 179.9° |
| CB2 | CA2 | C2 | O2 | 1.2° | 0.0° |
| CA2 | CB2 | CG2 | HB2 | 180.0° | 178.4° |
| CA2 | CB2 | CG2 | CD1 | 169.9° | 91.7° |
| CA2 | CB2 | CG2 | CD2 | 2.7° | 88.3° |
| C2 | CA2 | CB2 | CG2 | 175.8° | 178.5° |
| C2 | CA2 | CB2 | HB2 | 4.2° | 0.2° |
| CB2 | CG2 | CD1 | CD2 | 172.7° | 180.0° |
| CB2 | CG2 | CD2 | CE2 | 178.4° | 180.0° |
| CB2 | CG2 | CD2 | HD2 | 1.6° | 0.0° |
| CB2 | CG2 | CD1 | CE1 | 178.4° | 180.0° |
| CB2 | CG2 | CD1 | HD1 | 1.6° | 0.0° |
| HB2 | CB2 | CG2 | CD1 | 10.1° | 89.9° |
| HB2 | CB2 | CG2 | CD2 | 177.3° | 90.1° |
| CD1 | CG2 | CD2 | CE2 | 5.5° | 0.0° |
| CD1 | CG2 | CD2 | HD2 | 174.5° | 180.0° |
| CG2 | CD1 | CE1 | CZ | 4.4° | 0.0° |
| CG2 | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CG2 | CD1 | CE1 | HE1 | 175.6° | 180.0° |
| CG2 | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CG2 | CD2 | CE2 | CZ | 4.0° | 0.1° |
| CG2 | CD2 | CE2 | HE2 | 175.9° | 180.0° |
| CD2 | CG2 | CD1 | CE1 | 5.7° | 0.0° |
| CD2 | CG2 | CD1 | HD1 | 174.3° | 180.0° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | OH | 179.2° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 2.6° | 0.1° |
| HD2 | CD2 | CE2 | CZ | 175.9° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 4.1° | 0.1° |
| CE2 | CZ | OH | CE1 | 176.7° | 179.9° |
| CE2 | CZ | OH | HOH | 177.7° | 25.8° |
| CE2 | CZ | CE1 | CD1 | 2.8° | 0.0° |
| CE2 | CZ | CE1 | HE1 | 177.2° | 180.0° |
| HE2 | CE2 | CZ | OH | 0.8° | 0.1° |
| HE2 | CE2 | CZ | CE1 | 177.4° | 180.0° |
| OH | CZ | CE1 | CD1 | 179.5° | 180.0° |
| OH | CZ | CE1 | HE1 | 0.5° | 0.1° |
| CE1 | CZ | OH | HOH | 1.0° | 154.1° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 180.0° |
| CZ | CE1 | CD1 | HD1 | 175.6° | 180.0° |
| HE1 | CE1 | CD1 | HD1 | 4.4° | 0.0° |
