GMO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | doub | 1.21Å | 1.41Å | |
| C3 | CA3 | sing | 1.51Å | 1.54Å | |
| CA3 | N3 | sing | 1.47Å | 1.45Å | |
| N3 | C2 | sing | 1.35Å | 1.31Å | |
| N3 | C1 | sing | 1.37Å | 1.33Å | |
| O2 | C2 | doub | 1.22Å | 1.19Å | |
| CA1 | N1 | sing | 1.47Å | 1.45Å | |
| CA1 | C1 | sing | 1.51Å | 1.52Å | |
| CA1 | CB1 | sing | 1.53Å | 1.54Å | |
| CG1 | CB1 | sing | 1.53Å | 1.53Å | |
| C2 | CA2 | sing | 1.47Å | 1.37Å | |
| C1 | N2 | doub | 1.30Å | 1.35Å | |
| CB1 | OG1 | sing | 1.43Å | 1.40Å | |
| CA2 | N2 | sing | 1.37Å | 1.32Å | |
| CA2 | CB2 | doub | 1.38Å | 1.33Å | |
| CB2 | CG2 | sing | 1.47Å | 1.54Å | |
| CG2 | CD1 | doub | 1.40Å | 1.39Å | Aromatic |
| CG2 | CD2 | sing | 1.40Å | 1.39Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CD2 | CE2 | doub | 1.38Å | 1.39Å | Aromatic |
| CE1 | CZ | doub | 1.38Å | 1.39Å | Aromatic |
| CE2 | CZ | sing | 1.38Å | 1.38Å | Aromatic |
| CZ | NO | sing | 1.48Å | 1.45Å | |
| NO | ON1 | sing | 1.22Å | 1.40Å | |
| NO | O40 | doub | 1.22Å | 1.18Å | |
| N1 | H | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CB1 | H8 | sing | 1.09Å | 1.10Å | |
| CB2 | H9 | sing | 1.08Å | 1.08Å | |
| CG1 | H11 | sing | 1.09Å | 1.10Å | |
| CG1 | H12 | sing | 1.09Å | 1.10Å | |
| CG1 | H13 | sing | 1.09Å | 1.10Å | |
| OG1 | H14 | sing | 0.97Å | 0.95Å | |
| CD1 | H15 | sing | 1.08Å | 1.08Å | |
| CD2 | H16 | sing | 1.08Å | 1.08Å | |
| CE1 | H17 | sing | 1.08Å | 1.08Å | |
| CE2 | H18 | sing | 1.08Å | 1.08Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| C3 | OXT | sing | 1.34Å | 1.31Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | CA3 | 95.2° | 120.0° |
| O3 | C3 | OXT | 117.7° | 120.0° |
| C3 | CA3 | N3 | 115.4° | 109.5° |
| C3 | CA3 | HA31 | 108.0° | 109.5° |
| C3 | CA3 | HA32 | 108.0° | 109.4° |
| CA3 | C3 | OXT | 137.0° | 120.0° |
| CA3 | N3 | C2 | 127.4° | 125.8° |
| CA3 | N3 | C1 | 124.5° | 125.8° |
| N3 | CA3 | HA31 | 108.0° | 109.5° |
| N3 | CA3 | HA32 | 108.0° | 109.5° |
| C2 | N3 | C1 | 108.1° | 108.4° |
| N3 | C2 | O2 | 124.8° | 127.4° |
| N3 | C2 | CA2 | 108.1° | 105.2° |
| N3 | C1 | CA1 | 121.2° | 124.3° |
| N3 | C1 | N2 | 108.9° | 111.3° |
| O2 | C2 | CA2 | 127.1° | 127.4° |
| N1 | CA1 | C1 | 107.5° | 109.5° |
| N1 | CA1 | CB1 | 112.5° | 109.5° |
| CA1 | N1 | H | 109.5° | 111.0° |
| CA1 | N1 | H2 | 109.4° | 111.0° |
| N1 | CA1 | HA1 | 108.7° | 109.5° |
| C1 | CA1 | CB1 | 112.7° | 109.5° |
| CA1 | C1 | N2 | 129.8° | 124.3° |
| C1 | CA1 | HA1 | 107.8° | 109.4° |
| CA1 | CB1 | CG1 | 109.9° | 109.5° |
| CA1 | CB1 | OG1 | 111.2° | 109.5° |
| CB1 | CA1 | HA1 | 107.6° | 109.5° |
| CA1 | CB1 | H8 | 108.3° | 109.5° |
| CG1 | CB1 | OG1 | 108.9° | 109.5° |
| CG1 | CB1 | H8 | 108.4° | 109.5° |
| CB1 | CG1 | H11 | 109.5° | 109.5° |
| CB1 | CG1 | H12 | 109.5° | 109.5° |
| CB1 | CG1 | H13 | 109.5° | 109.5° |
| C2 | CA2 | N2 | 107.7° | 105.7° |
| C2 | CA2 | CB2 | 124.4° | 127.2° |
| C1 | N2 | CA2 | 107.2° | 109.4° |
| OG1 | CB1 | H8 | 110.1° | 109.5° |
| CB1 | OG1 | H14 | 109.5° | 114.0° |
| N2 | CA2 | CB2 | 127.9° | 127.2° |
| CA2 | CB2 | CG2 | 126.1° | 120.0° |
| CA2 | CB2 | H9 | 116.9° | 120.0° |
| CB2 | CG2 | CD1 | 122.7° | 120.2° |
| CB2 | CG2 | CD2 | 118.0° | 120.2° |
| CG2 | CB2 | H9 | 117.0° | 120.0° |
| CD1 | CG2 | CD2 | 119.3° | 119.6° |
| CG2 | CD1 | CE1 | 119.7° | 119.8° |
| CG2 | CD1 | H15 | 120.1° | 120.1° |
| CG2 | CD2 | CE2 | 121.2° | 119.8° |
| CG2 | CD2 | H16 | 119.4° | 120.1° |
| CD1 | CE1 | CZ | 120.4° | 120.2° |
| CE1 | CD1 | H15 | 120.2° | 120.2° |
| CD1 | CE1 | H17 | 119.8° | 119.9° |
| CD2 | CE2 | CZ | 119.1° | 120.2° |
| CE2 | CD2 | H16 | 119.4° | 120.1° |
| CD2 | CE2 | H18 | 120.4° | 119.9° |
| CE1 | CZ | CE2 | 120.3° | 120.4° |
| CE1 | CZ | NO | 119.9° | 119.8° |
| CZ | CE1 | H17 | 119.8° | 119.9° |
| CE2 | CZ | NO | 119.8° | 119.8° |
| CZ | CE2 | H18 | 120.4° | 119.9° |
| CZ | NO | ON1 | 118.1° | 120.0° |
| CZ | NO | O40 | 121.1° | 120.0° |
| ON1 | NO | O40 | 120.9° | 120.0° |
| H | N1 | H2 | 109.5° | 111.0° |
| H11 | CG1 | H12 | 109.4° | 109.5° |
| H11 | CG1 | H13 | 109.5° | 109.4° |
| H12 | CG1 | H13 | 109.4° | 109.5° |
| HA31 | CA3 | HA32 | 109.4° | 109.5° |
| C3 | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | CA3 | OXT | 141.5° | 179.9° |
| O3 | C3 | CA3 | N3 | 144.3° | 0.1° |
| O3 | C3 | CA3 | HA31 | 94.9° | 120.0° |
| O3 | C3 | CA3 | HA32 | 23.4° | 120.1° |
| O3 | C3 | OXT | HXT | 0.0° | 0.1° |
| C3 | CA3 | N3 | HA31 | 120.9° | 120.0° |
| C3 | CA3 | N3 | HA32 | 120.9° | 119.9° |
| C3 | CA3 | N3 | C2 | 96.7° | 90.0° |
| C3 | CA3 | N3 | C1 | 86.0° | 90.0° |
| C3 | CA3 | HA31 | HA32 | 117.3° | 119.9° |
| CA3 | C3 | OXT | HXT | 135.5° | 180.0° |
| CA3 | N3 | C2 | C1 | 177.7° | 179.9° |
| CA3 | N3 | C2 | O2 | 1.8° | 0.1° |
| CA3 | N3 | C1 | CA1 | 0.2° | 0.1° |
| CA3 | N3 | C2 | CA2 | 178.4° | 179.9° |
| CA3 | N3 | C1 | N2 | 178.4° | 179.8° |
| N3 | CA3 | HA31 | HA32 | 117.3° | 120.0° |
| N3 | CA3 | C3 | OXT | 2.8° | 180.0° |
| N3 | C2 | O2 | CA2 | 179.8° | 180.0° |
| C2 | N3 | C1 | CA1 | 177.9° | 180.0° |
| C2 | N3 | C1 | N2 | 0.7° | 0.3° |
| N3 | C2 | CA2 | N2 | 0.5° | 0.0° |
| N3 | C2 | CA2 | CB2 | 179.4° | 179.9° |
| C2 | N3 | CA3 | HA31 | 142.5° | 30.0° |
| C2 | N3 | CA3 | HA32 | 24.2° | 150.0° |
| C1 | N3 | C2 | O2 | 179.4° | 179.8° |
| N3 | C1 | CA1 | N1 | 82.4° | 144.7° |
| N3 | C1 | CA1 | N2 | 178.3° | 179.7° |
| N3 | C1 | CA1 | CB1 | 153.1° | 95.3° |
| C1 | N3 | C2 | CA2 | 0.7° | 0.2° |
| N3 | C1 | N2 | CA2 | 0.3° | 0.3° |
| N3 | C1 | CA1 | HA1 | 34.6° | 24.7° |
| C1 | N3 | CA3 | HA31 | 34.9° | 149.9° |
| C1 | N3 | CA3 | HA32 | 153.1° | 29.9° |
| O2 | C2 | CA2 | N2 | 179.7° | 180.0° |
| O2 | C2 | CA2 | CB2 | 0.5° | 0.1° |
| N1 | CA1 | C1 | CB1 | 124.5° | 120.0° |
| N1 | CA1 | C1 | HA1 | 117.0° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 119.7° | 120.0° |
| N1 | CA1 | CB1 | CG1 | 59.2° | 55.0° |
| N1 | CA1 | C1 | N2 | 95.9° | 35.0° |
| N1 | CA1 | CB1 | OG1 | 61.5° | 65.0° |
| CA1 | N1 | H | H2 | 120.0° | 123.9° |
| N1 | CA1 | CB1 | H8 | 177.4° | 175.0° |
| C1 | CA1 | CB1 | HA1 | 118.6° | 119.9° |
| C1 | CA1 | CB1 | CG1 | 179.1° | 175.0° |
| C1 | CA1 | CB1 | OG1 | 60.2° | 55.0° |
| CA1 | C1 | N2 | CA2 | 178.1° | 180.0° |
| C1 | CA1 | N1 | H | 180.0° | 63.9° |
| C1 | CA1 | N1 | H2 | 60.0° | 60.0° |
| C1 | CA1 | CB1 | H8 | 60.9° | 65.0° |
| CA1 | CB1 | CG1 | OG1 | 122.0° | 120.0° |
| CA1 | CB1 | CG1 | H8 | 118.2° | 120.0° |
| CB1 | CA1 | C1 | N2 | 28.6° | 85.0° |
| CA1 | CB1 | OG1 | H8 | 120.0° | 120.0° |
| CB1 | CA1 | N1 | H | 55.4° | 176.1° |
| CB1 | CA1 | N1 | H2 | 175.4° | 60.0° |
| CA1 | CB1 | CG1 | H11 | 180.0° | 60.0° |
| CA1 | CB1 | CG1 | H12 | 60.0° | 180.0° |
| CA1 | CB1 | CG1 | H13 | 60.0° | 60.0° |
| CA1 | CB1 | OG1 | H14 | 180.0° | 60.0° |
| CG1 | CB1 | OG1 | H8 | 118.7° | 120.0° |
| CG1 | CB1 | CA1 | HA1 | 60.5° | 65.1° |
| CB1 | CG1 | H11 | H12 | 120.0° | 120.0° |
| CB1 | CG1 | H11 | H13 | 120.0° | 120.0° |
| CB1 | CG1 | H12 | H13 | 120.0° | 120.0° |
| CG1 | CB1 | OG1 | H14 | 58.7° | 60.0° |
| C2 | CA2 | N2 | C1 | 0.1° | 0.2° |
| C2 | CA2 | N2 | CB2 | 179.9° | 180.0° |
| C2 | CA2 | CB2 | CG2 | 176.9° | 174.8° |
| C2 | CA2 | CB2 | H9 | 3.1° | 5.2° |
| C1 | N2 | CA2 | CB2 | 179.8° | 179.9° |
| N2 | C1 | CA1 | HA1 | 147.1° | 155.0° |
| OG1 | CB1 | CA1 | HA1 | 178.8° | 175.0° |
| OG1 | CB1 | CG1 | H11 | 58.0° | 60.0° |
| OG1 | CB1 | CG1 | H12 | 178.0° | 60.0° |
| OG1 | CB1 | CG1 | H13 | 62.1° | 180.0° |
| N2 | CA2 | CB2 | CG2 | 3.2° | 5.2° |
| N2 | CA2 | CB2 | H9 | 176.8° | 174.9° |
| CA2 | CB2 | CG2 | H9 | 180.0° | 179.9° |
| CA2 | CB2 | CG2 | CD1 | 2.6° | 6.1° |
| CA2 | CB2 | CG2 | CD2 | 177.4° | 173.8° |
| CB2 | CG2 | CD1 | CD2 | 180.0° | 179.8° |
| CB2 | CG2 | CD1 | CE1 | 179.8° | 180.0° |
| CB2 | CG2 | CD2 | CE2 | 179.8° | 179.9° |
| CB2 | CG2 | CD1 | H15 | 0.2° | 0.1° |
| CB2 | CG2 | CD2 | H16 | 0.2° | 0.1° |
| CG2 | CD1 | CE1 | H15 | 180.0° | 180.0° |
| CD1 | CG2 | CD2 | CE2 | 0.2° | 0.2° |
| CG2 | CD1 | CE1 | CZ | 0.3° | 0.1° |
| CD1 | CG2 | CB2 | H9 | 177.4° | 174.0° |
| CD1 | CG2 | CD2 | H16 | 179.8° | 179.7° |
| CG2 | CD1 | CE1 | H17 | 179.7° | 180.0° |
| CD2 | CG2 | CD1 | CE1 | 0.2° | 0.2° |
| CG2 | CD2 | CE2 | H16 | 180.0° | 180.0° |
| CG2 | CD2 | CE2 | CZ | 0.4° | 0.0° |
| CD2 | CG2 | CB2 | H9 | 2.6° | 6.2° |
| CD2 | CG2 | CD1 | H15 | 179.8° | 179.7° |
| CG2 | CD2 | CE2 | H18 | 179.6° | 179.9° |
| CD1 | CE1 | CZ | H17 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.1° | 0.3° |
| CD1 | CE1 | CZ | NO | 179.4° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 0.2° | 0.3° |
| CD2 | CE2 | CZ | H18 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | NO | 179.1° | 180.0° |
| CE1 | CZ | CE2 | NO | 179.3° | 179.7° |
| CE1 | CZ | NO | ON1 | 9.2° | 0.0° |
| CE1 | CZ | NO | O40 | 172.3° | 180.0° |
| CZ | CE1 | CD1 | H15 | 179.7° | 180.0° |
| CE1 | CZ | CE2 | H18 | 179.7° | 179.7° |
| CE2 | CZ | NO | ON1 | 170.1° | 179.7° |
| CE2 | CZ | NO | O40 | 8.4° | 0.3° |
| CZ | CE2 | CD2 | H16 | 179.6° | 180.0° |
| CE2 | CZ | CE1 | H17 | 179.9° | 179.7° |
| CZ | NO | ON1 | O40 | 178.5° | 180.0° |
| NO | CZ | CE1 | H17 | 0.6° | 0.0° |
| NO | CZ | CE2 | H18 | 0.9° | 0.1° |
| H | N1 | CA1 | HA1 | 63.6° | 56.1° |
| H2 | N1 | CA1 | HA1 | 56.4° | 179.9° |
| HA1 | CA1 | CB1 | H8 | 57.7° | 55.0° |
| H8 | CB1 | CG1 | H11 | 61.8° | 180.0° |
| H8 | CB1 | CG1 | H12 | 58.2° | 60.0° |
| H8 | CB1 | CG1 | H13 | 178.1° | 60.0° |
| H8 | CB1 | OG1 | H14 | 60.0° | 180.0° |
| H11 | CG1 | H12 | H13 | 120.0° | 120.0° |
| H15 | CD1 | CE1 | H17 | 0.3° | 0.0° |
| H16 | CD2 | CE2 | H18 | 0.4° | 0.0° |
| HA31 | CA3 | C3 | OXT | 123.6° | 59.9° |
| HA32 | CA3 | C3 | OXT | 118.1° | 60.0° |
