C6P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.44Å | 1.46Å | |
| N | C4A | sing | 1.46Å | 1.45Å | |
| N | HN | sing | 1.03Å | 1.00Å | |
| C | O | doub | 1.23Å | 1.24Å | |
| C | CA | sing | 1.52Å | 1.51Å | |
| C | OXT | sing | 1.35Å | 1.19Å | |
| P | OP2 | doub | 1.50Å | 1.48Å | |
| P | OP1 | sing | 1.62Å | 1.48Å | |
| P | OP3 | sing | 1.62Å | 1.49Å | |
| P | OP4 | sing | 1.62Å | 1.59Å | |
| OP3 | HOP3 | sing | 0.98Å | 0.95Å | |
| OP1 | HOP1 | sing | 0.98Å | 0.95Å | |
| OP4 | C5M | sing | 1.42Å | 1.42Å | |
| C5M | C5 | sing | 1.49Å | 1.52Å | |
| C5M | H5M1 | sing | 1.10Å | 1.10Å | |
| C5M | H5M2 | sing | 1.10Å | 1.10Å | |
| C5 | C4 | sing | 1.39Å | 1.52Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.52Å | Aromatic |
| C6 | N1 | sing | 1.35Å | 1.45Å | Aromatic |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| N1 | C2 | doub | 1.35Å | 1.44Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.51Å | Aromatic |
| C2 | C2A | sing | 1.49Å | 1.52Å | |
| C2A | H2A1 | sing | 1.10Å | 1.10Å | |
| C2A | H2A2 | sing | 1.10Å | 1.10Å | |
| C2A | H2A3 | sing | 1.10Å | 1.10Å | |
| C3 | C4 | doub | 1.39Å | 1.52Å | Aromatic |
| C3 | O3 | sing | 1.36Å | 1.42Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C4A | sing | 1.50Å | 1.52Å | |
| C4A | H4A1 | sing | 1.10Å | 1.10Å | |
| C4A | H4A2 | sing | 1.10Å | 1.10Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.10Å | 1.10Å | |
| OXT | HOXT | sing | 0.98Å | 0.95Å | |
| CB | SG | sing | 1.82Å | 1.81Å | |
| CB | HB1 | sing | 1.10Å | 1.10Å | |
| CB | HB2 | sing | 1.10Å | 1.10Å | |
| SG | HSG | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | C4A | 125.0° | 111.5° |
| CA | N | HN | 104.6° | 110.0° |
| N | CA | C | 106.5° | 111.9° |
| N | CA | CB | 110.9° | 112.0° |
| N | CA | HA | 110.1° | 105.3° |
| C4A | N | HN | 104.6° | 108.5° |
| N | C4A | C4 | 110.4° | 112.0° |
| N | C4A | H4A1 | 109.2° | 107.9° |
| N | C4A | H4A2 | 108.9° | 107.8° |
| O | C | CA | 119.5° | 123.8° |
| O | C | OXT | 110.4° | 122.9° |
| CA | C | OXT | 130.1° | 113.3° |
| C | CA | CB | 108.5° | 112.3° |
| C | CA | HA | 112.5° | 106.1° |
| C | OXT | HOXT | 109.5° | 112.0° |
| OP2 | P | OP1 | 113.2° | 115.0° |
| OP2 | P | OP3 | 114.6° | 115.3° |
| OP2 | P | OP4 | 103.6° | 115.1° |
| OP1 | P | OP3 | 113.1° | 103.3° |
| OP1 | P | OP4 | 105.7° | 102.7° |
| P | OP1 | HOP1 | 109.5° | 118.9° |
| OP3 | P | OP4 | 105.3° | 103.8° |
| P | OP3 | HOP3 | 109.5° | 118.9° |
| P | OP4 | C5M | 121.3° | 118.3° |
| OP4 | C5M | C5 | 111.7° | 109.5° |
| OP4 | C5M | H5M1 | 108.8° | 108.6° |
| OP4 | C5M | H5M2 | 108.2° | 108.6° |
| C5 | C5M | H5M1 | 108.7° | 111.5° |
| C5 | C5M | H5M2 | 108.3° | 111.2° |
| C5M | C5 | C4 | 120.8° | 122.3° |
| C5M | C5 | C6 | 117.7° | 120.1° |
| H5M1 | C5M | H5M2 | 111.2° | 107.3° |
| C4 | C5 | C6 | 121.5° | 117.6° |
| C5 | C4 | C3 | 117.8° | 120.3° |
| C5 | C4 | C4A | 120.5° | 120.0° |
| C5 | C6 | N1 | 116.8° | 124.0° |
| C5 | C6 | H6 | 121.6° | 121.3° |
| N1 | C6 | H6 | 121.6° | 114.7° |
| C6 | N1 | C2 | 124.8° | 116.3° |
| N1 | C2 | C3 | 120.0° | 124.1° |
| N1 | C2 | C2A | 119.8° | 115.8° |
| C3 | C2 | C2A | 120.2° | 120.1° |
| C2 | C3 | C4 | 119.1° | 117.6° |
| C2 | C3 | O3 | 119.2° | 121.1° |
| C2 | C2A | H2A1 | 109.5° | 110.3° |
| C2 | C2A | H2A2 | 109.4° | 111.2° |
| C2 | C2A | H2A3 | 109.5° | 111.1° |
| H2A1 | C2A | H2A2 | 109.5° | 108.6° |
| H2A1 | C2A | H2A3 | 109.4° | 108.6° |
| H2A2 | C2A | H2A3 | 109.5° | 106.9° |
| C4 | C3 | O3 | 121.8° | 121.3° |
| C3 | C4 | C4A | 121.7° | 119.7° |
| C3 | O3 | HO3 | 109.5° | 110.4° |
| C4 | C4A | H4A1 | 109.1° | 110.6° |
| C4 | C4A | H4A2 | 108.9° | 111.0° |
| H4A1 | C4A | H4A2 | 110.2° | 107.3° |
| CB | CA | HA | 108.3° | 108.8° |
| CA | CB | SG | 117.0° | 113.8° |
| CA | CB | HB1 | 107.0° | 109.9° |
| CA | CB | HB2 | 105.3° | 110.4° |
| SG | CB | HB1 | 107.1° | 107.3° |
| SG | CB | HB2 | 105.3° | 107.6° |
| CB | SG | HSG | 109.5° | 95.7° |
| HB1 | CB | HB2 | 115.6° | 107.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | C4A | HN | 120.0° | 121.3° |
| N | CA | C | O | 132.5° | 65.7° |
| N | CA | C | CB | 119.4° | 126.9° |
| N | CA | C | HA | 120.8° | 114.3° |
| N | CA | C | OXT | 49.1° | 115.0° |
| CA | N | C4A | C4 | 150.6° | 178.7° |
| CA | N | C4A | H4A1 | 30.6° | 56.7° |
| CA | N | C4A | H4A2 | 89.8° | 58.9° |
| N | CA | CB | HA | 121.0° | 116.0° |
| N | CA | CB | SG | 109.7° | 172.8° |
| N | CA | CB | HB1 | 130.3° | 66.9° |
| N | CA | CB | HB2 | 6.8° | 51.7° |
| C4A | N | CA | C | 167.1° | 59.6° |
| N | C4A | C4 | C5 | 148.1° | 90.0° |
| N | C4A | C4 | C3 | 32.1° | 90.0° |
| N | C4A | C4 | H4A1 | 120.0° | 120.5° |
| N | C4A | C4 | H4A2 | 119.6° | 120.5° |
| N | C4A | H4A1 | H4A2 | 119.6° | 115.9° |
| C4A | N | CA | CB | 75.1° | 173.3° |
| C4A | N | CA | HA | 44.7° | 55.2° |
| HN | N | CA | C | 47.1° | 180.0° |
| HN | N | C4A | C4 | 89.4° | 60.0° |
| HN | N | C4A | H4A1 | 150.6° | 178.0° |
| HN | N | C4A | H4A2 | 30.2° | 62.4° |
| HN | N | CA | CB | 164.9° | 52.9° |
| HN | N | CA | HA | 75.3° | 65.2° |
| O | C | CA | OXT | 178.4° | 179.3° |
| O | C | CA | CB | 108.1° | 61.2° |
| O | C | CA | HA | 11.7° | 180.0° |
| O | C | OXT | HOXT | 0.0° | 0.1° |
| C | CA | CB | HA | 122.4° | 117.1° |
| CA | C | OXT | HOXT | 178.5° | 179.3° |
| C | CA | CB | SG | 133.6° | 60.3° |
| C | CA | CB | HB1 | 13.6° | 60.0° |
| C | CA | CB | HB2 | 109.9° | 178.6° |
| OXT | C | CA | CB | 70.3° | 118.1° |
| OXT | C | CA | HA | 169.9° | 0.7° |
| OP2 | P | OP1 | OP3 | 132.6° | 126.5° |
| OP2 | P | OP1 | OP4 | 112.8° | 125.8° |
| OP2 | P | OP3 | OP4 | 113.2° | 126.8° |
| OP2 | P | OP3 | HOP3 | 55.8° | 48.7° |
| OP2 | P | OP1 | HOP1 | 12.9° | 48.0° |
| OP2 | P | OP4 | C5M | 74.5° | 179.9° |
| OP1 | P | OP3 | OP4 | 115.0° | 106.9° |
| OP1 | P | OP3 | HOP3 | 76.0° | 77.6° |
| OP1 | P | OP4 | C5M | 166.1° | 54.2° |
| OP3 | P | OP1 | HOP1 | 119.7° | 78.5° |
| OP3 | P | OP4 | C5M | 46.2° | 53.1° |
| OP4 | P | OP3 | HOP3 | 169.0° | 175.5° |
| OP4 | P | OP1 | HOP1 | 125.6° | 173.8° |
| P | OP4 | C5M | C5 | 170.9° | 180.0° |
| P | OP4 | C5M | H5M1 | 51.0° | 58.1° |
| P | OP4 | C5M | H5M2 | 70.0° | 58.4° |
| OP4 | C5M | C5 | H5M1 | 120.0° | 120.1° |
| OP4 | C5M | C5 | H5M2 | 119.1° | 120.1° |
| OP4 | C5M | H5M1 | H5M2 | 119.1° | 117.3° |
| OP4 | C5M | C5 | C4 | 93.3° | 90.0° |
| OP4 | C5M | C5 | C6 | 87.9° | 90.0° |
| C5 | C5M | H5M1 | H5M2 | 119.1° | 122.1° |
| C5M | C5 | C4 | C6 | 178.7° | 180.0° |
| C5M | C5 | C6 | N1 | 179.3° | 180.0° |
| C5M | C5 | C6 | H6 | 0.7° | 0.0° |
| C5M | C5 | C4 | C3 | 179.7° | 180.0° |
| C5M | C5 | C4 | C4A | 0.5° | 0.0° |
| H5M1 | C5M | C5 | C4 | 26.7° | 30.1° |
| H5M1 | C5M | C5 | C6 | 152.1° | 149.9° |
| H5M2 | C5M | C5 | C4 | 147.6° | 149.9° |
| H5M2 | C5M | C5 | C6 | 31.1° | 30.1° |
| C4 | C5 | C6 | N1 | 0.6° | 0.0° |
| C4 | C5 | C6 | H6 | 179.5° | 180.0° |
| C5 | C4 | C3 | C2 | 0.5° | 0.1° |
| C5 | C4 | C3 | C4A | 179.8° | 179.9° |
| C5 | C4 | C3 | O3 | 179.9° | 180.0° |
| C5 | C4 | C4A | H4A1 | 28.1° | 30.5° |
| C5 | C4 | C4A | H4A2 | 92.3° | 149.4° |
| C5 | C6 | N1 | H6 | 180.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.3° | 0.0° |
| C6 | C5 | C4 | C3 | 0.9° | 0.0° |
| C6 | C5 | C4 | C4A | 179.3° | 180.0° |
| C6 | N1 | C2 | C3 | 0.7° | 0.0° |
| C6 | N1 | C2 | C2A | 179.8° | 180.0° |
| H6 | C6 | N1 | C2 | 179.7° | 180.0° |
| N1 | C2 | C3 | C2A | 179.5° | 180.0° |
| N1 | C2 | C2A | H2A1 | 20.2° | 12.4° |
| N1 | C2 | C2A | H2A2 | 99.8° | 108.2° |
| N1 | C2 | C2A | H2A3 | 140.2° | 132.8° |
| N1 | C2 | C3 | C4 | 0.3° | 0.0° |
| N1 | C2 | C3 | O3 | 179.3° | 180.0° |
| C3 | C2 | C2A | H2A1 | 159.3° | 167.6° |
| C3 | C2 | C2A | H2A2 | 80.7° | 71.8° |
| C3 | C2 | C2A | H2A3 | 39.3° | 47.2° |
| C2 | C3 | C4 | O3 | 179.5° | 180.0° |
| C2 | C3 | O3 | HO3 | 15.9° | 54.4° |
| C2 | C3 | C4 | C4A | 179.7° | 180.0° |
| C2 | C2A | H2A1 | H2A2 | 120.0° | 122.1° |
| C2 | C2A | H2A1 | H2A3 | 120.0° | 122.0° |
| C2 | C2A | H2A2 | H2A3 | 120.0° | 121.5° |
| C2A | C2 | C3 | C4 | 179.8° | 180.0° |
| C2A | C2 | C3 | O3 | 0.2° | 0.0° |
| H2A1 | C2A | H2A2 | H2A3 | 120.0° | 117.0° |
| C4 | C3 | O3 | HO3 | 163.7° | 125.5° |
| C3 | C4 | C4A | H4A1 | 152.2° | 149.5° |
| C3 | C4 | C4A | H4A2 | 87.5° | 30.5° |
| O3 | C3 | C4 | C4A | 0.2° | 0.0° |
| C4 | C4A | H4A1 | H4A2 | 119.6° | 121.2° |
| CA | CB | SG | HB1 | 120.0° | 121.8° |
| CA | CB | SG | HB2 | 116.5° | 122.7° |
| CA | CB | HB1 | HB2 | 116.9° | 120.3° |
| CA | CB | SG | HSG | 48.5° | 7.9° |
| HA | CA | CB | SG | 11.2° | 56.8° |
| HA | CA | CB | HB1 | 108.8° | 177.1° |
| HA | CA | CB | HB2 | 127.7° | 64.3° |
| SG | CB | HB1 | HB2 | 116.9° | 115.5° |
| HB1 | CB | SG | HSG | 71.5° | 129.7° |
| HB2 | CB | SG | HSG | 165.0° | 114.8° |
