0DY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | OH | sing | 1.42Å | 1.38Å | |
| N | C1 | sing | 1.35Å | 1.34Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| OH | HOH | sing | 0.97Å | 0.95Å | |
| C1 | O1 | doub | 1.21Å | 1.26Å | |
| C1 | CA | sing | 1.51Å | 1.54Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.52Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | sing | 1.53Å | 1.51Å | |
| CG | CD2 | sing | 1.53Å | 1.51Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CD1 | HD13 | sing | 1.09Å | 1.10Å | |
| CD2 | HD21 | sing | 1.09Å | 1.10Å | |
| CD2 | HD22 | sing | 1.09Å | 1.10Å | |
| CD2 | HD23 | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| N1 | CA1 | sing | 1.46Å | 1.45Å | |
| N1 | H | sing | 0.97Å | 1.00Å | |
| CA1 | C2 | sing | 1.51Å | 1.54Å | |
| CA1 | CB1 | sing | 1.53Å | 1.52Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| C2 | O2 | doub | 1.21Å | 1.24Å | |
| CB1 | CG1 | sing | 1.51Å | 1.53Å | |
| CB1 | HB21 | sing | 1.09Å | 1.10Å | |
| CB1 | HB3 | sing | 1.09Å | 1.10Å | |
| CG1 | OD1 | doub | 1.21Å | 1.22Å | |
| CG1 | ND2 | sing | 1.35Å | 1.35Å | |
| ND2 | HD24 | sing | 0.97Å | 1.00Å | |
| ND2 | HD25 | sing | 0.97Å | 1.00Å | |
| N2 | CB2 | sing | 1.47Å | 1.46Å | |
| N2 | HN1 | sing | 0.97Å | 1.00Å | |
| CB2 | CG2 | sing | 1.51Å | 1.49Å | |
| CB2 | HB11 | sing | 1.09Å | 1.10Å | |
| CB2 | HB22 | sing | 1.09Å | 1.10Å | |
| CG2 | CD11 | doub | 1.38Å | 1.42Å | Aromatic |
| CG2 | CD21 | sing | 1.38Å | 1.40Å | Aromatic |
| CD11 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CD11 | HD14 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | doub | 1.38Å | 1.40Å | Aromatic |
| CE1 | HC11 | sing | 1.08Å | 1.08Å | |
| CD21 | CE2 | doub | 1.39Å | 1.39Å | Aromatic |
| CD21 | HC21 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | sing | 1.39Å | 1.41Å | Aromatic |
| CE2 | NE2 | sing | 1.40Å | 1.32Å | |
| CZ | HCZ1 | sing | 1.08Å | 1.08Å | |
| NE2 | HE21 | sing | 0.97Å | 1.00Å | |
| NE2 | HE22 | sing | 0.97Å | 1.00Å | |
| C | N1 | sing | 1.35Å | 1.32Å | |
| C2 | N2 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OH | N | C1 | 120.1° | 120.0° |
| OH | N | HN | 120.0° | 120.0° |
| N | OH | HOH | 109.5° | 114.0° |
| C1 | N | HN | 119.9° | 120.0° |
| N | C1 | O1 | 123.1° | 120.0° |
| N | C1 | CA | 114.4° | 120.0° |
| O1 | C1 | CA | 120.6° | 120.1° |
| C1 | CA | CB | 113.2° | 109.5° |
| C1 | CA | C | 107.6° | 109.4° |
| C1 | CA | HA | 108.8° | 109.5° |
| CB | CA | C | 111.2° | 109.4° |
| CB | CA | HA | 105.1° | 109.5° |
| CA | CB | CG | 117.8° | 109.5° |
| CA | CB | HB1 | 106.8° | 109.5° |
| CA | CB | HB2 | 104.9° | 109.5° |
| C | CA | HA | 110.9° | 109.5° |
| CA | C | O | 120.4° | 120.0° |
| CA | C | N1 | 117.4° | 120.0° |
| CG | CB | HB1 | 106.8° | 109.4° |
| CG | CB | HB2 | 104.9° | 109.5° |
| CB | CG | CD1 | 107.9° | 109.5° |
| CB | CG | CD2 | 109.0° | 109.4° |
| CB | CG | HG | 111.4° | 109.5° |
| HB1 | CB | HB2 | 116.2° | 109.5° |
| CD1 | CG | CD2 | 111.2° | 109.5° |
| CD1 | CG | HG | 109.2° | 109.5° |
| CG | CD1 | HD11 | 109.5° | 109.5° |
| CG | CD1 | HD12 | 109.5° | 109.5° |
| CG | CD1 | HD13 | 109.5° | 109.5° |
| CD2 | CG | HG | 108.1° | 109.5° |
| CG | CD2 | HD21 | 109.5° | 109.5° |
| CG | CD2 | HD22 | 109.4° | 109.5° |
| CG | CD2 | HD23 | 109.5° | 109.5° |
| HD11 | CD1 | HD12 | 109.4° | 109.5° |
| HD11 | CD1 | HD13 | 109.4° | 109.5° |
| HD12 | CD1 | HD13 | 109.5° | 109.4° |
| HD21 | CD2 | HD22 | 109.5° | 109.5° |
| HD21 | CD2 | HD23 | 109.5° | 109.4° |
| HD22 | CD2 | HD23 | 109.5° | 109.4° |
| O | C | N1 | 122.1° | 120.0° |
| CA1 | N1 | H | 120.9° | 120.0° |
| N1 | CA1 | C2 | 110.9° | 109.5° |
| N1 | CA1 | CB1 | 111.9° | 109.5° |
| N1 | CA1 | HA1 | 107.3° | 109.5° |
| CA1 | N1 | C | 118.3° | 120.0° |
| H | N1 | C | 120.8° | 120.0° |
| C2 | CA1 | CB1 | 111.0° | 109.4° |
| C2 | CA1 | HA1 | 108.2° | 109.5° |
| CA1 | C2 | O2 | 120.7° | 120.0° |
| CA1 | C2 | N2 | 116.2° | 120.0° |
| CB1 | CA1 | HA1 | 107.2° | 109.5° |
| CA1 | CB1 | CG1 | 112.2° | 109.4° |
| CA1 | CB1 | HB21 | 108.6° | 109.5° |
| CA1 | CB1 | HB3 | 108.0° | 109.5° |
| O2 | C2 | N2 | 123.0° | 120.1° |
| CG1 | CB1 | HB21 | 108.6° | 109.5° |
| CG1 | CB1 | HB3 | 108.0° | 109.5° |
| CB1 | CG1 | OD1 | 119.7° | 120.0° |
| CB1 | CG1 | ND2 | 117.9° | 120.0° |
| HB21 | CB1 | HB3 | 111.6° | 109.5° |
| OD1 | CG1 | ND2 | 122.4° | 120.0° |
| CG1 | ND2 | HD24 | 109.6° | 119.9° |
| CG1 | ND2 | HD25 | 125.2° | 120.0° |
| HD24 | ND2 | HD25 | 125.2° | 120.1° |
| CB2 | N2 | HN1 | 118.4° | 120.0° |
| N2 | CB2 | CG2 | 129.1° | 109.5° |
| N2 | CB2 | HB11 | 103.4° | 109.5° |
| N2 | CB2 | HB22 | 98.8° | 109.5° |
| CB2 | N2 | C2 | 123.3° | 120.0° |
| HN1 | N2 | C2 | 118.3° | 120.0° |
| CG2 | CB2 | HB11 | 103.4° | 109.5° |
| CG2 | CB2 | HB22 | 98.8° | 109.5° |
| CB2 | CG2 | CD11 | 120.7° | 120.0° |
| CB2 | CG2 | CD21 | 120.1° | 120.0° |
| HB11 | CB2 | HB22 | 126.6° | 109.4° |
| CD11 | CG2 | CD21 | 119.0° | 120.1° |
| CG2 | CD11 | CE1 | 121.8° | 120.2° |
| CG2 | CD11 | HD14 | 119.1° | 119.9° |
| CG2 | CD21 | CE2 | 119.2° | 119.9° |
| CG2 | CD21 | HC21 | 120.4° | 120.1° |
| CE1 | CD11 | HD14 | 119.1° | 120.0° |
| CD11 | CE1 | CZ | 118.8° | 120.1° |
| CD11 | CE1 | HC11 | 120.6° | 120.0° |
| CZ | CE1 | HC11 | 120.6° | 119.9° |
| CE1 | CZ | CE2 | 119.7° | 119.9° |
| CE1 | CZ | HCZ1 | 120.2° | 120.0° |
| CE2 | CD21 | HC21 | 120.4° | 120.0° |
| CD21 | CE2 | CZ | 121.5° | 119.8° |
| CD21 | CE2 | NE2 | 116.7° | 120.1° |
| CZ | CE2 | NE2 | 121.6° | 120.1° |
| CE2 | CZ | HCZ1 | 120.2° | 120.1° |
| CE2 | NE2 | HE21 | 109.5° | 120.0° |
| CE2 | NE2 | HE22 | 109.5° | 120.0° |
| HE21 | NE2 | HE22 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OH | N | C1 | HN | 180.0° | 179.7° |
| OH | N | C1 | O1 | 1.3° | 5.0° |
| OH | N | C1 | CA | 165.4° | 175.0° |
| C1 | N | OH | HOH | 87.5° | 180.0° |
| N | C1 | O1 | CA | 163.1° | 180.0° |
| N | C1 | CA | CB | 136.9° | 94.9° |
| N | C1 | CA | C | 99.9° | 145.2° |
| N | C1 | CA | HA | 20.4° | 25.2° |
| HN | N | OH | HOH | 92.5° | 0.3° |
| HN | N | C1 | O1 | 178.7° | 175.2° |
| HN | N | C1 | CA | 14.6° | 4.7° |
| O1 | C1 | CA | CB | 58.6° | 85.1° |
| O1 | C1 | CA | C | 64.6° | 34.8° |
| O1 | C1 | CA | HA | 175.1° | 154.9° |
| C1 | CA | CB | C | 121.3° | 120.0° |
| C1 | CA | CB | HA | 118.6° | 120.0° |
| C1 | CA | C | HA | 119.0° | 120.0° |
| C1 | CA | CB | CG | 168.1° | 172.4° |
| C1 | CA | CB | HB1 | 48.2° | 52.5° |
| C1 | CA | CB | HB2 | 75.7° | 67.6° |
| C1 | CA | C | O | 107.5° | 107.8° |
| C1 | CA | C | N1 | 72.0° | 72.2° |
| CB | CA | C | HA | 116.6° | 120.0° |
| CA | CB | CG | HB1 | 120.0° | 120.0° |
| CA | CB | CG | HB2 | 116.1° | 120.0° |
| CA | CB | HB1 | HB2 | 116.6° | 120.1° |
| CA | CB | CG | CD1 | 99.5° | 60.9° |
| CA | CB | CG | CD2 | 139.7° | 179.2° |
| CA | CB | CG | HG | 20.4° | 59.2° |
| CB | CA | C | O | 128.1° | 12.1° |
| CB | CA | C | N1 | 52.4° | 167.9° |
| C | CA | CB | CG | 70.6° | 67.6° |
| C | CA | CB | HB1 | 169.4° | 172.4° |
| C | CA | CB | HB2 | 45.6° | 52.4° |
| CA | C | O | N1 | 179.5° | 180.0° |
| CA | C | N1 | CA1 | 179.2° | 176.9° |
| CA | C | N1 | H | 0.8° | 3.2° |
| HA | CA | CB | CG | 49.5° | 52.4° |
| HA | CA | CB | HB1 | 70.5° | 67.5° |
| HA | CA | CB | HB2 | 165.6° | 172.4° |
| HA | CA | C | O | 11.5° | 132.2° |
| HA | CA | C | N1 | 169.0° | 47.8° |
| CG | CB | HB1 | HB2 | 116.6° | 120.0° |
| CB | CG | CD1 | CD2 | 119.5° | 120.0° |
| CB | CG | CD1 | HG | 121.3° | 120.0° |
| CB | CG | CD2 | HG | 121.3° | 120.0° |
| CB | CG | CD1 | HD11 | 43.3° | 62.2° |
| CB | CG | CD1 | HD12 | 163.3° | 177.8° |
| CB | CG | CD1 | HD13 | 76.6° | 57.8° |
| CB | CG | CD2 | HD21 | 98.3° | 60.0° |
| CB | CG | CD2 | HD22 | 141.7° | 180.0° |
| CB | CG | CD2 | HD23 | 21.7° | 60.0° |
| HB1 | CB | CG | CD1 | 20.5° | 59.1° |
| HB1 | CB | CG | CD2 | 100.3° | 60.9° |
| HB1 | CB | CG | HG | 140.4° | 179.2° |
| HB2 | CB | CG | CD1 | 144.4° | 179.1° |
| HB2 | CB | CG | CD2 | 23.5° | 59.1° |
| HB2 | CB | CG | HG | 95.7° | 60.8° |
| CD1 | CG | CD2 | HG | 119.9° | 120.0° |
| CG | CD1 | HD11 | HD12 | 120.0° | 120.0° |
| CG | CD1 | HD11 | HD13 | 120.0° | 120.0° |
| CG | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| CD1 | CG | CD2 | HD21 | 142.9° | 180.0° |
| CD1 | CG | CD2 | HD22 | 22.9° | 60.0° |
| CD1 | CG | CD2 | HD23 | 97.1° | 60.0° |
| CD2 | CG | CD1 | HD11 | 76.1° | 57.8° |
| CD2 | CG | CD1 | HD12 | 43.9° | 62.2° |
| CD2 | CG | CD1 | HD13 | 163.9° | 177.8° |
| CG | CD2 | HD21 | HD22 | 120.0° | 120.0° |
| CG | CD2 | HD21 | HD23 | 120.0° | 120.0° |
| CG | CD2 | HD22 | HD23 | 120.0° | 120.0° |
| HG | CG | CD1 | HD11 | 164.6° | 177.8° |
| HG | CG | CD1 | HD12 | 75.4° | 57.8° |
| HG | CG | CD1 | HD13 | 44.7° | 62.2° |
| HG | CG | CD2 | HD21 | 23.0° | 60.0° |
| HG | CG | CD2 | HD22 | 97.0° | 60.0° |
| HG | CG | CD2 | HD23 | 143.0° | 180.0° |
| HD11 | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| HD21 | CD2 | HD22 | HD23 | 120.0° | 119.9° |
| O | C | N1 | CA1 | 1.3° | 3.1° |
| O | C | N1 | H | 178.7° | 176.8° |
| CA1 | N1 | H | C | 180.0° | 180.0° |
| N1 | CA1 | C2 | CB1 | 125.0° | 120.0° |
| N1 | CA1 | C2 | HA1 | 117.5° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 117.4° | 120.1° |
| N1 | CA1 | C2 | O2 | 176.1° | 0.0° |
| N1 | CA1 | CB1 | CG1 | 176.3° | 66.2° |
| N1 | CA1 | CB1 | HB21 | 56.3° | 53.8° |
| N1 | CA1 | CB1 | HB3 | 64.9° | 173.8° |
| N1 | CA1 | C2 | N2 | 0.0° | 180.0° |
| H | N1 | CA1 | C2 | 97.2° | 42.9° |
| H | N1 | CA1 | CB1 | 27.4° | 77.1° |
| H | N1 | CA1 | HA1 | 144.7° | 162.9° |
| C2 | CA1 | CB1 | HA1 | 118.1° | 120.0° |
| CA1 | C2 | O2 | N2 | 175.8° | 180.0° |
| C2 | CA1 | CB1 | CG1 | 59.2° | 173.9° |
| C2 | CA1 | CB1 | HB21 | 179.2° | 66.2° |
| C2 | CA1 | CB1 | HB3 | 59.6° | 53.9° |
| CA1 | C2 | N2 | CB2 | 177.2° | 180.0° |
| CA1 | C2 | N2 | HN1 | 2.8° | 0.0° |
| C2 | CA1 | N1 | C | 82.8° | 137.1° |
| CB1 | CA1 | C2 | O2 | 51.1° | 120.0° |
| CA1 | CB1 | CG1 | HB21 | 120.0° | 120.0° |
| CA1 | CB1 | CG1 | HB3 | 118.9° | 120.0° |
| CA1 | CB1 | HB21 | HB3 | 118.9° | 120.0° |
| CA1 | CB1 | CG1 | OD1 | 127.8° | 6.2° |
| CA1 | CB1 | CG1 | ND2 | 54.2° | 173.7° |
| CB1 | CA1 | N1 | C | 152.6° | 103.0° |
| CB1 | CA1 | C2 | N2 | 125.0° | 60.0° |
| HA1 | CA1 | C2 | O2 | 66.3° | 120.0° |
| HA1 | CA1 | CB1 | CG1 | 58.9° | 53.9° |
| HA1 | CA1 | CB1 | HB21 | 61.1° | 173.9° |
| HA1 | CA1 | CB1 | HB3 | 177.7° | 66.1° |
| HA1 | CA1 | N1 | C | 35.3° | 17.1° |
| HA1 | CA1 | C2 | N2 | 117.5° | 60.0° |
| O2 | C2 | N2 | CB2 | 6.8° | 0.0° |
| O2 | C2 | N2 | HN1 | 173.2° | 180.0° |
| CG1 | CB1 | HB21 | HB3 | 118.9° | 120.0° |
| CB1 | CG1 | OD1 | ND2 | 177.9° | 180.0° |
| CB1 | CG1 | ND2 | HD24 | 0.9° | 0.0° |
| CB1 | CG1 | ND2 | HD25 | 179.1° | 180.0° |
| HB21 | CB1 | CG1 | OD1 | 112.2° | 126.2° |
| HB21 | CB1 | CG1 | ND2 | 65.8° | 53.8° |
| HB3 | CB1 | CG1 | OD1 | 9.0° | 113.8° |
| HB3 | CB1 | CG1 | ND2 | 173.0° | 66.3° |
| OD1 | CG1 | ND2 | HD24 | 178.9° | 180.0° |
| OD1 | CG1 | ND2 | HD25 | 1.1° | 0.0° |
| CG1 | ND2 | HD24 | HD25 | 179.9° | 180.0° |
| CB2 | N2 | HN1 | C2 | 180.0° | 180.0° |
| N2 | CB2 | CG2 | HB11 | 120.0° | 120.0° |
| N2 | CB2 | CG2 | HB22 | 109.0° | 120.0° |
| N2 | CB2 | HB11 | HB22 | 111.9° | 119.9° |
| N2 | CB2 | CG2 | CD11 | 32.7° | 90.0° |
| N2 | CB2 | CG2 | CD21 | 152.6° | 90.3° |
| HN1 | N2 | CB2 | CG2 | 110.8° | 0.0° |
| HN1 | N2 | CB2 | HB11 | 9.2° | 120.0° |
| HN1 | N2 | CB2 | HB22 | 140.2° | 120.0° |
| CG2 | CB2 | HB11 | HB22 | 111.8° | 120.0° |
| CB2 | CG2 | CD11 | CD21 | 174.7° | 179.7° |
| CB2 | CG2 | CD11 | CE1 | 173.3° | 180.0° |
| CB2 | CG2 | CD11 | HD14 | 6.7° | 0.0° |
| CB2 | CG2 | CD21 | CE2 | 173.2° | 180.0° |
| CB2 | CG2 | CD21 | HC21 | 6.7° | 0.0° |
| CG2 | CB2 | N2 | C2 | 69.1° | 180.0° |
| HB11 | CB2 | CG2 | CD11 | 87.3° | 30.0° |
| HB11 | CB2 | CG2 | CD21 | 87.4° | 149.7° |
| HB11 | CB2 | N2 | C2 | 170.9° | 59.9° |
| HB22 | CB2 | CG2 | CD11 | 141.7° | 150.0° |
| HB22 | CB2 | CG2 | CD21 | 43.7° | 29.7° |
| HB22 | CB2 | N2 | C2 | 39.8° | 60.0° |
| CG2 | CD11 | CE1 | HD14 | 180.0° | 180.0° |
| CG2 | CD11 | CE1 | CZ | 1.0° | 0.0° |
| CG2 | CD11 | CE1 | HC11 | 179.0° | 179.9° |
| CD11 | CG2 | CD21 | CE2 | 1.5° | 0.3° |
| CD11 | CG2 | CD21 | HC21 | 178.5° | 179.7° |
| CD21 | CG2 | CD11 | CE1 | 1.4° | 0.3° |
| CD21 | CG2 | CD11 | HD14 | 178.6° | 179.7° |
| CG2 | CD21 | CE2 | HC21 | 180.0° | 180.0° |
| CG2 | CD21 | CE2 | CZ | 1.2° | 0.0° |
| CG2 | CD21 | CE2 | NE2 | 175.3° | 180.0° |
| CD11 | CE1 | CZ | HC11 | 180.0° | 179.9° |
| CD11 | CE1 | CZ | CE2 | 0.7° | 0.3° |
| CD11 | CE1 | CZ | HCZ1 | 179.3° | 180.0° |
| HD14 | CD11 | CE1 | CZ | 179.0° | 179.9° |
| HD14 | CD11 | CE1 | HC11 | 1.0° | 0.0° |
| CE1 | CZ | CE2 | CD21 | 0.8° | 0.4° |
| CE1 | CZ | CE2 | HCZ1 | 180.0° | 179.7° |
| CE1 | CZ | CE2 | NE2 | 175.6° | 179.7° |
| HC11 | CE1 | CZ | CE2 | 179.3° | 179.7° |
| HC11 | CE1 | CZ | HCZ1 | 0.7° | 0.0° |
| CD21 | CE2 | CZ | NE2 | 176.4° | 179.9° |
| CD21 | CE2 | CZ | HCZ1 | 179.2° | 179.9° |
| CD21 | CE2 | NE2 | HE21 | 84.0° | 0.0° |
| CD21 | CE2 | NE2 | HE22 | 36.0° | 180.0° |
| HC21 | CD21 | CE2 | CZ | 178.8° | 180.0° |
| HC21 | CD21 | CE2 | NE2 | 4.7° | 0.1° |
| CZ | CE2 | NE2 | HE21 | 92.5° | 180.0° |
| CZ | CE2 | NE2 | HE22 | 147.5° | 0.1° |
| NE2 | CE2 | CZ | HCZ1 | 4.4° | 0.0° |
| CE2 | NE2 | HE21 | HE22 | 120.0° | 180.0° |
