9JV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.19Å | |
| C | CA | sing | 1.48Å | 1.56Å | |
| CA | N2 | doub | 1.32Å | 1.32Å | Aromatic |
| CA | C77 | sing | 1.40Å | 1.41Å | Aromatic |
| N2 | C81 | sing | 1.33Å | 1.37Å | Aromatic |
| N | C82 | sing | 1.39Å | 1.45Å | |
| C77 | C76 | doub | 1.38Å | 1.41Å | Aromatic |
| C81 | C82 | doub | 1.41Å | 1.43Å | Aromatic |
| C81 | C80 | sing | 1.42Å | 1.37Å | Aromatic |
| C82 | C83 | sing | 1.38Å | 1.39Å | Aromatic |
| C76 | C80 | sing | 1.41Å | 1.43Å | Aromatic |
| C76 | O15 | sing | 1.36Å | 1.41Å | |
| C80 | C79 | doub | 1.40Å | 1.43Å | Aromatic |
| C83 | C84 | doub | 1.39Å | 1.40Å | Aromatic |
| C103 | O15 | sing | 1.43Å | 1.40Å | |
| C79 | C84 | sing | 1.36Å | 1.40Å | Aromatic |
| C | OXT | sing | 1.35Å | 1.49Å | |
| C77 | H1 | sing | 1.08Å | 1.08Å | |
| C79 | H5 | sing | 1.08Å | 1.08Å | |
| C83 | H3 | sing | 1.08Å | 1.08Å | |
| C84 | H4 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| C103 | H7 | sing | 1.09Å | 1.10Å | |
| C103 | H8 | sing | 1.09Å | 1.10Å | |
| C103 | H9 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 120.2° | 120.0° |
| O | C | OXT | 120.0° | 120.0° |
| C | CA | N2 | 118.1° | 119.2° |
| C | CA | C77 | 120.3° | 119.2° |
| CA | C | OXT | 119.8° | 120.0° |
| N2 | CA | C77 | 121.6° | 121.5° |
| CA | N2 | C81 | 121.1° | 121.6° |
| CA | C77 | C76 | 118.8° | 119.6° |
| CA | C77 | H1 | 120.6° | 120.2° |
| N2 | C81 | C82 | 117.8° | 120.9° |
| N2 | C81 | C80 | 121.3° | 120.1° |
| N | C82 | C81 | 117.2° | 120.3° |
| N | C82 | C83 | 122.7° | 120.2° |
| C82 | N | H | 109.5° | 120.0° |
| C82 | N | H2 | 109.5° | 120.0° |
| C77 | C76 | C80 | 117.9° | 118.0° |
| C77 | C76 | O15 | 121.0° | 121.1° |
| C76 | C77 | H1 | 120.6° | 120.2° |
| C82 | C81 | C80 | 120.9° | 119.0° |
| C81 | C82 | C83 | 120.0° | 119.5° |
| C81 | C80 | C76 | 119.3° | 119.1° |
| C81 | C80 | C79 | 119.0° | 119.8° |
| C82 | C83 | C84 | 119.4° | 120.8° |
| C82 | C83 | H3 | 120.3° | 119.6° |
| C80 | C76 | O15 | 121.1° | 121.0° |
| C76 | C80 | C79 | 121.6° | 121.2° |
| C76 | O15 | C103 | 114.6° | 117.0° |
| C80 | C79 | C84 | 120.1° | 120.0° |
| C80 | C79 | H5 | 119.9° | 120.0° |
| C83 | C84 | C79 | 120.5° | 121.0° |
| C84 | C83 | H3 | 120.3° | 119.6° |
| C83 | C84 | H4 | 119.8° | 119.6° |
| O15 | C103 | H7 | 109.5° | 109.5° |
| O15 | C103 | H8 | 109.5° | 109.5° |
| O15 | C103 | H9 | 109.5° | 109.5° |
| C84 | C79 | H5 | 119.9° | 120.0° |
| C79 | C84 | H4 | 119.7° | 119.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 120.0° |
| H7 | C103 | H8 | 109.5° | 109.5° |
| H7 | C103 | H9 | 109.5° | 109.4° |
| H8 | C103 | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 178.7° | 179.7° |
| O | C | CA | N2 | 170.8° | 179.7° |
| O | C | CA | C77 | 9.7° | 0.3° |
| O | C | OXT | HXT | 0.0° | 0.3° |
| C | CA | N2 | C77 | 179.5° | 180.0° |
| C | CA | N2 | C81 | 179.5° | 179.7° |
| C | CA | C77 | C76 | 179.1° | 180.0° |
| C | CA | C77 | H1 | 0.9° | 0.1° |
| CA | C | OXT | HXT | 178.7° | 180.0° |
| N2 | CA | C77 | C76 | 0.4° | 0.1° |
| CA | N2 | C81 | C82 | 179.5° | 180.0° |
| CA | N2 | C81 | C80 | 0.3° | 0.6° |
| N2 | CA | C | OXT | 10.5° | 0.0° |
| N2 | CA | C77 | H1 | 179.6° | 179.9° |
| C77 | CA | N2 | C81 | 0.0° | 0.3° |
| CA | C77 | C76 | H1 | 180.0° | 179.9° |
| CA | C77 | C76 | C80 | 0.5° | 0.0° |
| CA | C77 | C76 | O15 | 179.9° | 179.8° |
| C77 | CA | C | OXT | 169.0° | 180.0° |
| N2 | C81 | C82 | N | 2.1° | 0.6° |
| N2 | C81 | C82 | C80 | 179.2° | 179.5° |
| N2 | C81 | C82 | C83 | 179.4° | 179.5° |
| N2 | C81 | C80 | C76 | 0.1° | 0.5° |
| N2 | C81 | C80 | C79 | 179.9° | 179.5° |
| N | C82 | C81 | C83 | 177.3° | 180.0° |
| N | C82 | C81 | C80 | 178.7° | 179.9° |
| N | C82 | C83 | C84 | 178.4° | 180.0° |
| N | C82 | C83 | H3 | 1.6° | 0.0° |
| C82 | N | H | H2 | 120.0° | 180.0° |
| C77 | C76 | C80 | C81 | 0.3° | 0.3° |
| C77 | C76 | C80 | O15 | 179.6° | 179.7° |
| C77 | C76 | C80 | C79 | 179.7° | 179.7° |
| C77 | C76 | O15 | C103 | 5.4° | 0.3° |
| C82 | C81 | C80 | C76 | 179.3° | 180.0° |
| C82 | C81 | C80 | C79 | 0.7° | 0.0° |
| C81 | C82 | C83 | C84 | 1.3° | 0.0° |
| C81 | C82 | C83 | H3 | 178.7° | 180.0° |
| C81 | C82 | N | H | 180.0° | 0.0° |
| C81 | C82 | N | H2 | 60.0° | 180.0° |
| C80 | C81 | C82 | C83 | 1.4° | 0.0° |
| C81 | C80 | C76 | C79 | 180.0° | 180.0° |
| C81 | C80 | C76 | O15 | 179.9° | 180.0° |
| C81 | C80 | C79 | C84 | 0.0° | 0.0° |
| C81 | C80 | C79 | H5 | 180.0° | 180.0° |
| C82 | C83 | C84 | H3 | 180.0° | 180.0° |
| C82 | C83 | C84 | C79 | 0.5° | 0.0° |
| C82 | C83 | C84 | H4 | 179.5° | 179.9° |
| C83 | C82 | N | H | 2.7° | 180.0° |
| C83 | C82 | N | H2 | 122.8° | 0.0° |
| C80 | C76 | O15 | C103 | 174.2° | 180.0° |
| C76 | C80 | C79 | C84 | 180.0° | 180.0° |
| C80 | C76 | C77 | H1 | 179.5° | 179.9° |
| C76 | C80 | C79 | H5 | 0.0° | 0.0° |
| O15 | C76 | C80 | C79 | 0.1° | 0.0° |
| O15 | C76 | C77 | H1 | 0.1° | 0.4° |
| C76 | O15 | C103 | H7 | 180.0° | 180.0° |
| C76 | O15 | C103 | H8 | 60.0° | 60.0° |
| C76 | O15 | C103 | H9 | 60.0° | 60.0° |
| C80 | C79 | C84 | C83 | 0.1° | 0.0° |
| C80 | C79 | C84 | H5 | 180.0° | 180.0° |
| C80 | C79 | C84 | H4 | 179.9° | 179.9° |
| C83 | C84 | C79 | H4 | 180.0° | 179.9° |
| C83 | C84 | C79 | H5 | 179.9° | 180.0° |
| O15 | C103 | H7 | H8 | 120.0° | 120.0° |
| O15 | C103 | H7 | H9 | 120.0° | 120.1° |
| O15 | C103 | H8 | H9 | 120.0° | 120.0° |
| C79 | C84 | C83 | H3 | 179.4° | 180.0° |
| H5 | C79 | C84 | H4 | 0.1° | 0.0° |
| H3 | C83 | C84 | H4 | 0.5° | 0.0° |
| H7 | C103 | H8 | H9 | 120.0° | 119.9° |
