1W9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.25Å | |
| OXT | C | sing | 1.34Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.51Å | |
| O3 | C3 | sing | 1.36Å | 1.35Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| CA | CB | sing | 1.53Å | 1.51Å | |
| C2A | C2 | sing | 1.51Å | 1.52Å | |
| N | C4A | doub | 1.29Å | 1.28Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| CB | OG | sing | 1.43Å | 1.42Å | |
| C2 | N1 | sing | 1.32Å | 1.27Å | Aromatic |
| C4A | C4 | sing | 1.48Å | 1.50Å | |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| N1 | C6 | doub | 1.32Å | 1.27Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C5A | sing | 1.51Å | 1.52Å | |
| C5A | O4P | sing | 1.43Å | 1.42Å | |
| O4P | P | sing | 1.61Å | 1.60Å | |
| O3P | P | doub | 1.48Å | 1.52Å | |
| P | O2P | sing | 1.61Å | 1.52Å | |
| P | O1P | sing | 1.61Å | 1.51Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| CA | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| OG | H6 | sing | 0.97Å | 0.95Å | |
| O1P | H7 | sing | 0.97Å | 0.95Å | |
| C2A | H8 | sing | 1.09Å | 1.10Å | |
| C2A | H9 | sing | 1.09Å | 1.10Å | |
| C2A | H10 | sing | 1.09Å | 1.10Å | |
| O2P | H11 | sing | 0.97Å | 0.95Å | |
| C4A | H12 | sing | 1.08Å | 1.08Å | |
| C5A | H13 | sing | 1.09Å | 1.10Å | |
| C5A | H14 | sing | 1.09Å | 1.10Å | |
| OXT | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 119.8° | 120.0° |
| O | C | CA | 119.4° | 120.0° |
| OXT | C | CA | 117.2° | 120.0° |
| C | OXT | H15 | 109.5° | 117.0° |
| C | CA | N | 117.6° | 109.5° |
| C | CA | CB | 108.5° | 109.5° |
| C | CA | H3 | 107.2° | 109.5° |
| O3 | C3 | C2 | 118.5° | 120.6° |
| O3 | C3 | C4 | 120.5° | 120.6° |
| C3 | O3 | H1 | 109.5° | 113.9° |
| N | CA | CB | 108.3° | 109.5° |
| CA | N | C4A | 132.5° | 120.0° |
| N | CA | H3 | 107.6° | 109.5° |
| CA | CB | OG | 110.5° | 109.4° |
| CB | CA | H3 | 107.3° | 109.4° |
| CA | CB | H4 | 109.2° | 109.5° |
| CA | CB | H5 | 109.2° | 109.5° |
| C2A | C2 | C3 | 118.7° | 119.6° |
| C2A | C2 | N1 | 120.5° | 119.6° |
| C2 | C2A | H8 | 109.5° | 109.5° |
| C2 | C2A | H9 | 109.5° | 109.5° |
| C2 | C2A | H10 | 109.5° | 109.4° |
| N | C4A | C4 | 117.5° | 120.0° |
| N | C4A | H12 | 121.2° | 120.0° |
| C2 | C3 | C4 | 121.1° | 118.8° |
| C3 | C2 | N1 | 120.8° | 120.8° |
| C3 | C4 | C4A | 119.8° | 121.0° |
| C3 | C4 | C5 | 115.3° | 118.1° |
| OG | CB | H4 | 109.2° | 109.5° |
| OG | CB | H5 | 109.2° | 109.5° |
| CB | OG | H6 | 109.5° | 113.9° |
| C2 | N1 | C6 | 121.7° | 122.2° |
| C4A | C4 | C5 | 125.0° | 121.0° |
| C4 | C4A | H12 | 121.3° | 120.0° |
| C4 | C5 | C6 | 118.3° | 119.1° |
| C4 | C5 | C5A | 123.7° | 120.5° |
| N1 | C6 | C5 | 122.9° | 121.0° |
| N1 | C6 | H2 | 118.5° | 119.5° |
| C6 | C5 | C5A | 117.9° | 120.5° |
| C5 | C6 | H2 | 118.6° | 119.4° |
| C5 | C5A | O4P | 115.5° | 109.4° |
| C5 | C5A | H13 | 108.0° | 109.5° |
| C5 | C5A | H14 | 108.0° | 109.5° |
| C5A | O4P | P | 119.5° | 123.0° |
| O4P | C5A | H13 | 107.9° | 109.4° |
| O4P | C5A | H14 | 107.9° | 109.5° |
| O4P | P | O3P | 102.8° | 109.5° |
| O4P | P | O2P | 101.7° | 109.5° |
| O4P | P | O1P | 107.7° | 109.5° |
| O3P | P | O2P | 115.5° | 109.5° |
| O3P | P | O1P | 114.2° | 109.5° |
| O2P | P | O1P | 113.2° | 109.5° |
| P | O2P | H11 | 109.5° | 114.0° |
| P | O1P | H7 | 109.5° | 114.0° |
| H4 | CB | H5 | 109.5° | 109.5° |
| H8 | C2A | H9 | 109.5° | 109.5° |
| H8 | C2A | H10 | 109.5° | 109.4° |
| H9 | C2A | H10 | 109.4° | 109.5° |
| H13 | C5A | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 158.5° | 179.7° |
| O | C | CA | N | 33.1° | 0.0° |
| O | C | CA | CB | 156.4° | 120.0° |
| O | C | CA | H3 | 88.1° | 120.0° |
| O | C | OXT | H15 | 0.0° | 0.3° |
| OXT | C | CA | N | 168.3° | 179.7° |
| OXT | C | CA | CB | 45.1° | 60.3° |
| OXT | C | CA | H3 | 70.5° | 59.7° |
| C | CA | N | CB | 123.4° | 120.0° |
| C | CA | N | H3 | 121.0° | 120.0° |
| C | CA | CB | H3 | 115.5° | 120.0° |
| C | CA | N | C4A | 78.2° | 120.0° |
| C | CA | CB | OG | 171.9° | 55.0° |
| C | CA | CB | H4 | 67.9° | 174.9° |
| C | CA | CB | H5 | 51.8° | 65.0° |
| CA | C | OXT | H15 | 158.5° | 180.0° |
| O3 | C3 | C2 | C2A | 0.4° | 0.0° |
| O3 | C3 | C2 | C4 | 179.4° | 180.0° |
| O3 | C3 | C2 | N1 | 179.9° | 180.0° |
| O3 | C3 | C4 | C4A | 0.0° | 0.0° |
| O3 | C3 | C4 | C5 | 179.9° | 180.0° |
| N | CA | CB | H3 | 115.8° | 120.0° |
| N | CA | CB | OG | 43.2° | 65.0° |
| CA | N | C4A | C4 | 179.9° | 180.0° |
| N | CA | CB | H4 | 163.4° | 54.9° |
| N | CA | CB | H5 | 76.9° | 175.0° |
| CA | N | C4A | H12 | 0.2° | 0.0° |
| CB | CA | N | C4A | 45.2° | 119.9° |
| CA | CB | OG | H4 | 120.1° | 120.0° |
| CA | CB | OG | H5 | 120.1° | 120.0° |
| CA | CB | H4 | H5 | 119.5° | 120.0° |
| CA | CB | OG | H6 | 180.0° | 180.0° |
| C2A | C2 | C3 | N1 | 179.6° | 180.0° |
| C2A | C2 | C3 | C4 | 179.9° | 180.0° |
| C2A | C2 | N1 | C6 | 179.7° | 180.0° |
| C2 | C2A | H8 | H9 | 120.0° | 120.1° |
| C2 | C2A | H8 | H10 | 120.1° | 119.9° |
| C2 | C2A | H9 | H10 | 120.0° | 120.0° |
| N | C4A | C4 | C3 | 58.6° | 0.0° |
| N | C4A | C4 | H12 | 180.0° | 180.0° |
| N | C4A | C4 | C5 | 121.5° | 179.9° |
| C4A | N | CA | H3 | 160.9° | 0.0° |
| C2 | C3 | C4 | C4A | 179.5° | 180.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.0° |
| C3 | C2 | N1 | C6 | 0.1° | 0.1° |
| C2 | C3 | O3 | H1 | 180.0° | 90.1° |
| C3 | C2 | C2A | H8 | 179.6° | 90.1° |
| C3 | C2 | C2A | H9 | 59.6° | 30.0° |
| C3 | C2 | C2A | H10 | 60.3° | 150.1° |
| C4 | C3 | C2 | N1 | 0.5° | 0.0° |
| C3 | C4 | C4A | C5 | 179.9° | 179.9° |
| C3 | C4 | C5 | C6 | 0.4° | 0.1° |
| C3 | C4 | C5 | C5A | 178.4° | 180.0° |
| C4 | C3 | O3 | H1 | 0.6° | 89.9° |
| C3 | C4 | C4A | H12 | 121.4° | 180.0° |
| OG | CB | CA | H3 | 72.6° | 175.0° |
| OG | CB | H4 | H5 | 119.5° | 120.1° |
| C2 | N1 | C6 | C5 | 0.2° | 0.0° |
| C2 | N1 | C6 | H2 | 179.8° | 180.0° |
| N1 | C2 | C2A | H8 | 0.0° | 89.9° |
| N1 | C2 | C2A | H9 | 120.0° | 150.0° |
| N1 | C2 | C2A | H10 | 120.0° | 30.0° |
| C4A | C4 | C5 | C6 | 179.7° | 180.0° |
| C4A | C4 | C5 | C5A | 1.7° | 0.1° |
| C4 | C5 | C6 | N1 | 0.0° | 0.0° |
| C4 | C5 | C6 | C5A | 178.2° | 180.0° |
| C4 | C5 | C5A | O4P | 86.1° | 180.0° |
| C4 | C5 | C6 | H2 | 180.0° | 179.9° |
| C5 | C4 | C4A | H12 | 58.5° | 0.1° |
| C4 | C5 | C5A | H13 | 153.0° | 60.1° |
| C4 | C5 | C5A | H14 | 34.7° | 60.0° |
| N1 | C6 | C5 | H2 | 180.0° | 180.0° |
| N1 | C6 | C5 | C5A | 178.2° | 180.0° |
| C6 | C5 | C5A | O4P | 95.8° | 0.0° |
| C6 | C5 | C5A | H13 | 25.0° | 119.9° |
| C6 | C5 | C5A | H14 | 143.3° | 120.0° |
| C5 | C5A | O4P | H13 | 120.9° | 119.9° |
| C5 | C5A | O4P | H14 | 120.9° | 120.0° |
| C5 | C5A | O4P | P | 174.9° | 180.0° |
| C5A | C5 | C6 | H2 | 1.8° | 0.0° |
| C5 | C5A | H13 | H14 | 117.3° | 120.1° |
| C5A | O4P | P | O3P | 72.1° | 55.0° |
| C5A | O4P | P | O2P | 168.1° | 175.0° |
| C5A | O4P | P | O1P | 48.9° | 65.0° |
| O4P | C5A | H13 | H14 | 117.2° | 120.0° |
| O4P | P | O3P | O2P | 109.8° | 120.0° |
| O4P | P | O3P | O1P | 116.4° | 120.0° |
| O4P | P | O2P | O1P | 115.3° | 120.0° |
| O4P | P | O1P | H7 | 113.5° | 60.0° |
| O4P | P | O2P | H11 | 110.4° | 180.0° |
| P | O4P | C5A | H13 | 64.2° | 60.0° |
| P | O4P | C5A | H14 | 54.0° | 60.0° |
| O3P | P | O2P | O1P | 134.3° | 120.0° |
| O3P | P | O1P | H7 | 0.0° | 180.0° |
| O3P | P | O2P | H11 | 0.0° | 60.0° |
| O2P | P | O1P | H7 | 134.8° | 60.0° |
| O1P | P | O2P | H11 | 134.3° | 60.0° |
| H3 | CA | CB | H4 | 47.5° | 65.0° |
| H3 | CA | CB | H5 | 167.2° | 55.0° |
| H4 | CB | OG | H6 | 59.9° | 60.1° |
| H5 | CB | OG | H6 | 59.8° | 60.0° |
| H8 | C2A | H9 | H10 | 119.9° | 120.0° |
