LCS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | C2A | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.39Å | 1.42Å | Aromatic |
| C3 | O3 | sing | 1.36Å | 1.37Å | |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C4A | sing | 1.51Å | 1.43Å | |
| C4 | C5 | sing | 1.39Å | 1.42Å | Aromatic |
| C4A | N | sing | 1.46Å | 1.27Å | |
| C5 | C6 | doub | 1.38Å | 1.36Å | Aromatic |
| C5 | C5A | sing | 1.51Å | 1.55Å | |
| C5A | O4P | sing | 1.43Å | 1.41Å | |
| O4P | P | sing | 1.61Å | 1.63Å | |
| P | O1P | doub | 1.48Å | 1.48Å | |
| P | O2P | sing | 1.61Å | 1.56Å | |
| P | O3P | sing | 1.61Å | 1.48Å | |
| N | CA | doub | 1.28Å | 1.32Å | |
| CA | C | sing | 1.49Å | 1.38Å | |
| CA | CB | sing | 1.51Å | 1.39Å | |
| C | O | doub | 1.21Å | 1.30Å | |
| C | ND | sing | 1.34Å | 1.30Å | |
| ND | OG | sing | 1.41Å | 1.43Å | |
| OG | CB | sing | 1.43Å | 1.37Å | |
| C2A | H2A1 | sing | 1.09Å | 1.10Å | |
| C2A | H2A2 | sing | 1.09Å | 1.10Å | |
| C2A | H2A3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4A | H4A1 | sing | 1.09Å | 1.10Å | |
| C4A | H4A2 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5A | H5A1 | sing | 1.09Å | 1.10Å | |
| C5A | H5A2 | sing | 1.09Å | 1.10Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| ND | HND | sing | 0.97Å | 1.00Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 124.5° | 121.8° |
| N1 | C2 | C2A | 117.9° | 119.7° |
| N1 | C2 | C3 | 118.6° | 120.7° |
| N1 | C6 | C5 | 117.6° | 120.9° |
| N1 | C6 | H6 | 121.2° | 119.6° |
| C2A | C2 | C3 | 123.5° | 119.7° |
| C2 | C2A | H2A1 | 109.5° | 109.5° |
| C2 | C2A | H2A2 | 109.4° | 109.5° |
| C2 | C2A | H2A3 | 109.5° | 109.5° |
| C2 | C3 | O3 | 116.5° | 120.5° |
| C2 | C3 | C4 | 119.0° | 119.1° |
| O3 | C3 | C4 | 124.5° | 120.4° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | C4A | 122.4° | 120.8° |
| C3 | C4 | C5 | 117.9° | 118.4° |
| C4A | C4 | C5 | 119.1° | 120.8° |
| C4 | C4A | N | 117.6° | 109.4° |
| C4 | C4A | H4A1 | 106.8° | 109.4° |
| C4 | C4A | H4A2 | 106.9° | 109.4° |
| C4 | C5 | C6 | 122.1° | 119.2° |
| C4 | C5 | C5A | 119.4° | 120.4° |
| C4A | N | CA | 122.1° | 120.0° |
| N | C4A | H4A1 | 106.9° | 109.5° |
| N | C4A | H4A2 | 106.8° | 109.5° |
| C6 | C5 | C5A | 118.1° | 120.4° |
| C5 | C6 | H6 | 121.2° | 119.6° |
| C5 | C5A | O4P | 115.3° | 109.5° |
| C5 | C5A | H5A1 | 107.5° | 109.5° |
| C5 | C5A | H5A2 | 107.6° | 109.5° |
| C5A | O4P | P | 118.9° | 123.0° |
| O4P | C5A | H5A1 | 107.6° | 109.4° |
| O4P | C5A | H5A2 | 107.6° | 109.5° |
| O4P | P | O1P | 107.4° | 109.5° |
| O4P | P | O2P | 107.7° | 109.4° |
| O4P | P | O3P | 106.1° | 109.4° |
| O1P | P | O2P | 111.0° | 109.5° |
| O1P | P | O3P | 116.5° | 109.5° |
| O2P | P | O3P | 107.7° | 109.5° |
| P | O2P | HOP2 | 109.5° | 114.0° |
| P | O3P | HOP3 | 109.5° | 114.0° |
| N | CA | C | 126.6° | 127.4° |
| N | CA | CB | 121.6° | 127.5° |
| C | CA | CB | 111.8° | 105.1° |
| CA | C | O | 137.5° | 125.7° |
| CA | C | ND | 107.0° | 108.6° |
| CA | CB | OG | 103.4° | 105.3° |
| CA | CB | HB1 | 111.6° | 110.3° |
| CA | CB | HB2 | 111.5° | 110.3° |
| O | C | ND | 115.5° | 125.7° |
| C | ND | OG | 108.9° | 111.8° |
| C | ND | HND | 125.5° | 124.1° |
| ND | OG | CB | 108.9° | 109.2° |
| OG | ND | HND | 125.6° | 124.1° |
| OG | CB | HB1 | 111.5° | 110.4° |
| OG | CB | HB2 | 111.5° | 110.2° |
| H2A1 | C2A | H2A2 | 109.5° | 109.4° |
| H2A1 | C2A | H2A3 | 109.4° | 109.5° |
| H2A2 | C2A | H2A3 | 109.5° | 109.5° |
| H4A1 | C4A | H4A2 | 112.0° | 109.5° |
| H5A1 | C5A | H5A2 | 111.3° | 109.5° |
| HB1 | CB | HB2 | 107.3° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C2A | C3 | 179.7° | 179.9° |
| N1 | C2 | C3 | O3 | 179.0° | 179.9° |
| N1 | C2 | C3 | C4 | 2.2° | 0.1° |
| C2 | N1 | C6 | C5 | 0.2° | 0.1° |
| N1 | C2 | C2A | H2A1 | 0.0° | 90.0° |
| N1 | C2 | C2A | H2A2 | 120.0° | 150.1° |
| N1 | C2 | C2A | H2A3 | 120.0° | 30.0° |
| C2 | N1 | C6 | H6 | 179.8° | 180.0° |
| C6 | N1 | C2 | C2A | 180.0° | 179.9° |
| C6 | N1 | C2 | C3 | 0.3° | 0.1° |
| N1 | C6 | C5 | C4 | 3.2° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| N1 | C6 | C5 | C5A | 175.9° | 180.0° |
| C2A | C2 | C3 | O3 | 1.2° | 0.0° |
| C2A | C2 | C3 | C4 | 177.6° | 180.0° |
| C2 | C2A | H2A1 | H2A2 | 120.0° | 120.0° |
| C2 | C2A | H2A1 | H2A3 | 120.0° | 120.0° |
| C2 | C2A | H2A2 | H2A3 | 120.0° | 120.0° |
| C2 | C3 | O3 | C4 | 178.7° | 180.0° |
| C2 | C3 | C4 | C4A | 176.1° | 180.0° |
| C2 | C3 | C4 | C5 | 4.8° | 0.0° |
| C3 | C2 | C2A | H2A1 | 179.7° | 89.9° |
| C3 | C2 | C2A | H2A2 | 60.3° | 30.0° |
| C3 | C2 | C2A | H2A3 | 59.8° | 150.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 90.0° |
| O3 | C3 | C4 | C4A | 5.2° | 0.0° |
| O3 | C3 | C4 | C5 | 176.5° | 180.0° |
| C3 | C4 | C4A | C5 | 171.2° | 180.0° |
| C3 | C4 | C4A | N | 8.8° | 95.8° |
| C3 | C4 | C5 | C6 | 5.5° | 0.0° |
| C3 | C4 | C5 | C5A | 178.1° | 180.0° |
| C4 | C3 | O3 | HO3 | 1.3° | 90.0° |
| C3 | C4 | C4A | H4A1 | 111.2° | 24.2° |
| C3 | C4 | C4A | H4A2 | 128.8° | 144.2° |
| C4 | C4A | N | H4A1 | 120.0° | 120.0° |
| C4 | C4A | N | H4A2 | 120.0° | 119.9° |
| C4A | C4 | C5 | C6 | 177.1° | 180.0° |
| C4A | C4 | C5 | C5A | 10.3° | 0.0° |
| C4 | C4A | N | CA | 157.1° | 116.8° |
| C4 | C4A | H4A1 | H4A2 | 116.7° | 119.9° |
| C5 | C4 | C4A | N | 180.0° | 84.2° |
| C4 | C5 | C6 | C5A | 172.7° | 180.0° |
| C4 | C5 | C5A | O4P | 79.5° | 174.8° |
| C5 | C4 | C4A | H4A1 | 60.0° | 155.8° |
| C5 | C4 | C4A | H4A2 | 60.0° | 35.8° |
| C4 | C5 | C6 | H6 | 176.8° | 179.9° |
| C4 | C5 | C5A | H5A1 | 160.5° | 54.8° |
| C4 | C5 | C5A | H5A2 | 40.5° | 65.2° |
| C4A | N | CA | C | 175.8° | 175.3° |
| C4A | N | CA | CB | 4.7° | 5.2° |
| N | C4A | H4A1 | H4A2 | 116.6° | 120.1° |
| C6 | C5 | C5A | O4P | 107.6° | 5.2° |
| C6 | C5 | C5A | H5A1 | 12.4° | 125.2° |
| C6 | C5 | C5A | H5A2 | 132.4° | 114.8° |
| C5 | C5A | O4P | H5A1 | 120.0° | 120.0° |
| C5 | C5A | O4P | H5A2 | 120.0° | 120.0° |
| C5 | C5A | O4P | P | 160.8° | 180.0° |
| C5A | C5 | C6 | H6 | 4.1° | 0.1° |
| C5 | C5A | H5A1 | H5A2 | 117.6° | 120.0° |
| C5A | O4P | P | O1P | 57.5° | 55.0° |
| C5A | O4P | P | O2P | 177.1° | 65.0° |
| C5A | O4P | P | O3P | 67.7° | 175.0° |
| O4P | C5A | H5A1 | H5A2 | 117.6° | 120.0° |
| O4P | P | O1P | O2P | 117.5° | 120.0° |
| O4P | P | O1P | O3P | 118.7° | 120.0° |
| O4P | P | O2P | O3P | 114.0° | 119.9° |
| P | O4P | C5A | H5A1 | 79.2° | 60.0° |
| P | O4P | C5A | H5A2 | 40.8° | 60.0° |
| O4P | P | O2P | HOP2 | 117.3° | 60.0° |
| O4P | P | O3P | HOP3 | 119.4° | 180.0° |
| O1P | P | O2P | O3P | 128.7° | 120.1° |
| O1P | P | O2P | HOP2 | 0.0° | 180.0° |
| O1P | P | O3P | HOP3 | 0.0° | 60.0° |
| O2P | P | O3P | HOP3 | 125.5° | 60.1° |
| O3P | P | O2P | HOP2 | 128.7° | 59.9° |
| N | CA | C | CB | 179.5° | 179.6° |
| N | CA | C | O | 1.1° | 0.1° |
| N | CA | C | ND | 179.6° | 179.9° |
| N | CA | CB | OG | 178.8° | 180.0° |
| CA | N | C4A | H4A1 | 83.0° | 3.1° |
| CA | N | C4A | H4A2 | 37.0° | 123.3° |
| N | CA | CB | HB1 | 58.8° | 60.9° |
| N | CA | CB | HB2 | 61.2° | 61.1° |
| CA | C | O | ND | 179.3° | 180.0° |
| CA | C | ND | OG | 2.1° | 0.0° |
| C | CA | CB | OG | 0.7° | 0.4° |
| CA | C | ND | HND | 177.9° | 180.0° |
| C | CA | CB | HB1 | 120.7° | 118.7° |
| C | CA | CB | HB2 | 119.3° | 119.2° |
| CB | CA | C | O | 178.4° | 179.8° |
| CB | CA | C | ND | 0.9° | 0.3° |
| CA | CB | OG | ND | 1.9° | 0.4° |
| CA | CB | OG | HB1 | 120.0° | 119.1° |
| CA | CB | OG | HB2 | 120.0° | 118.9° |
| CA | CB | HB1 | HB2 | 122.5° | 122.1° |
| O | C | ND | OG | 177.4° | 180.0° |
| O | C | ND | HND | 2.6° | 0.0° |
| C | ND | OG | HND | 180.0° | 180.0° |
| C | ND | OG | CB | 2.6° | 0.3° |
| ND | OG | CB | HB1 | 121.9° | 118.6° |
| ND | OG | CB | HB2 | 118.1° | 119.3° |
| CB | OG | ND | HND | 177.4° | 179.8° |
| OG | CB | HB1 | HB2 | 122.5° | 122.0° |
| H2A1 | C2A | H2A2 | H2A3 | 120.0° | 120.0° |
