DSZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | C | sing | 1.51Å | 1.50Å | |
| C | NAT | sing | 1.35Å | 1.34Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| C2 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | doub | 1.33Å | 1.35Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.46Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.34Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.46Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.35Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| C8 | N7 | doub | 1.30Å | 1.35Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C1' | N9 | sing | 1.46Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.51Å | 1.52Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CG | OD2 | doub | 1.21Å | 1.25Å | |
| CG | OD1 | sing | 1.34Å | 1.26Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C1' | C2' | sing | 1.55Å | 1.52Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| SBE | O5' | sing | 1.52Å | 1.62Å | |
| NAT | SBE | sing | 1.66Å | 1.54Å | |
| NAT | HNAT | sing | 0.97Å | 1.00Å | |
| OAX | SBE | doub | 1.42Å | 1.47Å | |
| SBE | OAY | doub | 1.42Å | 1.47Å | |
| OD1 | HOD1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | NAT | 115.3° | 120.0° |
| CA | C | O | 120.2° | 120.0° |
| C | CA | N | 110.4° | 109.4° |
| C | CA | CB | 111.1° | 109.5° |
| C | CA | HA | 108.9° | 109.5° |
| NAT | C | O | 124.5° | 120.0° |
| C | NAT | SBE | 125.0° | 120.0° |
| C | NAT | HNAT | 117.5° | 120.0° |
| CA | N | HN | 109.5° | 111.1° |
| CA | N | HNA | 109.5° | 111.0° |
| N | CA | CB | 112.8° | 109.5° |
| N | CA | HA | 107.1° | 109.5° |
| HN | N | HNA | 109.4° | 111.0° |
| C2 | N1 | C6 | 121.6° | 121.2° |
| N1 | C2 | N3 | 124.1° | 122.5° |
| N1 | C2 | H2 | 118.0° | 118.8° |
| N1 | C6 | C5 | 118.0° | 118.5° |
| N1 | C6 | N6 | 122.9° | 120.7° |
| N3 | C2 | H2 | 117.9° | 118.7° |
| C2 | N3 | C4 | 118.9° | 120.6° |
| N3 | C4 | N9 | 133.8° | 134.9° |
| N3 | C4 | C5 | 120.7° | 119.1° |
| N9 | C4 | C5 | 105.5° | 106.0° |
| C4 | N9 | C8 | 109.3° | 107.5° |
| C4 | N9 | C1' | 123.9° | 126.3° |
| C4 | C5 | N7 | 107.4° | 107.1° |
| C4 | C5 | C6 | 116.7° | 118.2° |
| N7 | C5 | C6 | 135.9° | 134.7° |
| C5 | N7 | C8 | 107.3° | 109.4° |
| C5 | C6 | N6 | 119.1° | 120.8° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.4° | 120.0° |
| HN6 | N6 | HN6A | 109.5° | 120.0° |
| N7 | C8 | N9 | 110.5° | 110.0° |
| N7 | C8 | H8 | 124.8° | 125.0° |
| N9 | C8 | H8 | 124.7° | 125.0° |
| C8 | N9 | C1' | 126.8° | 126.3° |
| N9 | C1' | O4' | 109.3° | 110.6° |
| N9 | C1' | C2' | 114.3° | 110.6° |
| N9 | C1' | H1' | 104.8° | 110.5° |
| CB | CA | HA | 106.3° | 109.5° |
| CA | CB | CG | 114.5° | 109.4° |
| CA | CB | HB | 107.8° | 109.5° |
| CA | CB | HBA | 107.9° | 109.5° |
| CG | CB | HB | 107.8° | 109.5° |
| CG | CB | HBA | 107.8° | 109.4° |
| CB | CG | OD2 | 120.5° | 120.0° |
| CB | CG | OD1 | 117.7° | 120.0° |
| HB | CB | HBA | 111.0° | 109.5° |
| OD2 | CG | OD1 | 121.8° | 120.0° |
| CG | OD1 | HOD1 | 109.5° | 117.0° |
| O4' | C1' | C2' | 104.4° | 103.5° |
| O4' | C1' | H1' | 114.7° | 110.7° |
| C1' | O4' | C4' | 108.0° | 107.0° |
| C2' | C1' | H1' | 109.7° | 110.6° |
| C1' | C2' | C3' | 101.8° | 102.1° |
| C1' | C2' | O2' | 112.1° | 110.9° |
| C1' | C2' | H2' | 114.4° | 110.9° |
| C3' | C2' | O2' | 113.9° | 111.0° |
| C3' | C2' | H2' | 112.6° | 110.9° |
| C2' | C3' | C4' | 104.2° | 104.2° |
| C2' | C3' | O3' | 112.2° | 110.5° |
| C2' | C3' | H3' | 109.9° | 110.5° |
| O2' | C2' | H2' | 102.5° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C4' | C3' | O3' | 105.2° | 110.6° |
| C4' | C3' | H3' | 116.4° | 110.5° |
| C3' | C4' | C5' | 112.8° | 109.9° |
| C3' | C4' | O4' | 106.9° | 107.3° |
| C3' | C4' | H4' | 109.1° | 109.9° |
| O3' | C3' | H3' | 108.9° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C5' | C4' | O4' | 109.8° | 109.9° |
| C5' | C4' | H4' | 106.2° | 110.0° |
| C4' | C5' | O5' | 106.3° | 109.4° |
| C4' | C5' | H5' | 110.6° | 109.4° |
| C4' | C5' | H5'A | 110.6° | 109.4° |
| O4' | C4' | H4' | 112.2° | 109.8° |
| O5' | C5' | H5' | 110.6° | 109.5° |
| O5' | C5' | H5'A | 110.5° | 109.5° |
| C5' | O5' | SBE | 118.5° | 114.0° |
| H5' | C5' | H5'A | 108.4° | 109.5° |
| O5' | SBE | NAT | 107.7° | 107.2° |
| O5' | SBE | OAX | 111.0° | 106.4° |
| O5' | SBE | OAY | 108.5° | 106.4° |
| SBE | NAT | HNAT | 117.5° | 120.0° |
| NAT | SBE | OAX | 106.5° | 106.4° |
| NAT | SBE | OAY | 111.8° | 106.4° |
| OAX | SBE | OAY | 111.3° | 123.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | NAT | O | 179.5° | 179.8° |
| C | CA | N | CB | 124.9° | 120.0° |
| C | CA | N | HA | 118.5° | 120.0° |
| C | CA | N | HN | 180.0° | 64.0° |
| C | CA | N | HNA | 60.0° | 60.0° |
| C | CA | CB | HA | 118.4° | 120.0° |
| C | CA | CB | CG | 72.2° | 175.0° |
| C | CA | CB | HB | 47.8° | 65.0° |
| C | CA | CB | HBA | 167.8° | 55.1° |
| CA | C | NAT | SBE | 179.4° | 179.7° |
| CA | C | NAT | HNAT | 0.6° | 0.2° |
| NAT | C | CA | N | 154.9° | 160.0° |
| NAT | C | CA | CB | 79.2° | 80.1° |
| NAT | C | CA | HA | 37.6° | 40.0° |
| C | NAT | SBE | O5' | 41.3° | 65.0° |
| C | NAT | SBE | HNAT | 180.0° | 179.9° |
| C | NAT | SBE | OAX | 160.4° | 48.5° |
| C | NAT | SBE | OAY | 77.8° | 178.6° |
| O | C | CA | N | 24.6° | 20.2° |
| O | C | CA | CB | 101.3° | 99.7° |
| O | C | CA | HA | 141.9° | 140.2° |
| O | C | NAT | SBE | 0.1° | 0.1° |
| O | C | NAT | HNAT | 179.9° | 180.0° |
| CA | N | HN | HNA | 120.0° | 124.0° |
| N | CA | CB | HA | 117.1° | 120.0° |
| N | CA | CB | CG | 52.3° | 65.0° |
| N | CA | CB | HB | 172.3° | 55.0° |
| N | CA | CB | HBA | 67.7° | 175.0° |
| HN | N | CA | CB | 55.1° | 176.1° |
| HN | N | CA | HA | 61.5° | 56.0° |
| HNA | N | CA | CB | 175.1° | 60.0° |
| HNA | N | CA | HA | 58.5° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.4° | 0.0° |
| C2 | N1 | C6 | C5 | 0.4° | 0.0° |
| C2 | N1 | C6 | N6 | 179.4° | 180.0° |
| C6 | N1 | C2 | N3 | 0.2° | 0.1° |
| C6 | N1 | C2 | H2 | 179.7° | 179.9° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | N7 | 180.0° | 180.0° |
| N1 | C6 | C5 | N6 | 179.8° | 180.0° |
| N1 | C6 | N6 | HN6 | 0.0° | 0.0° |
| N1 | C6 | N6 | HN6A | 120.0° | 180.0° |
| C2 | N3 | C4 | N9 | 179.2° | 180.0° |
| C2 | N3 | C4 | C5 | 0.8° | 0.0° |
| H2 | C2 | N3 | C4 | 179.7° | 180.0° |
| N3 | C4 | N9 | C5 | 180.0° | 180.0° |
| N3 | C4 | C5 | N7 | 179.4° | 180.0° |
| N3 | C4 | C5 | C6 | 0.7° | 0.0° |
| N3 | C4 | N9 | C8 | 179.5° | 180.0° |
| N3 | C4 | N9 | C1' | 0.8° | 0.0° |
| N9 | C4 | C5 | N7 | 0.6° | 0.0° |
| N9 | C4 | C5 | C6 | 179.4° | 180.0° |
| C4 | N9 | C8 | N7 | 0.1° | 0.0° |
| C4 | N9 | C8 | C1' | 178.7° | 180.0° |
| C4 | N9 | C8 | H8 | 179.9° | 180.0° |
| C4 | N9 | C1' | O4' | 104.9° | 160.9° |
| C4 | N9 | C1' | C2' | 138.5° | 85.0° |
| C4 | N9 | C1' | H1' | 18.4° | 37.9° |
| C4 | C5 | N7 | C6 | 179.9° | 179.9° |
| C4 | C5 | C6 | N6 | 179.9° | 180.0° |
| C4 | C5 | N7 | C8 | 0.5° | 0.0° |
| C5 | C4 | N9 | C8 | 0.4° | 0.0° |
| C5 | C4 | N9 | C1' | 179.1° | 179.9° |
| N7 | C5 | C6 | N6 | 0.2° | 0.0° |
| C5 | N7 | C8 | N9 | 0.3° | 0.0° |
| C5 | N7 | C8 | H8 | 179.7° | 180.0° |
| C5 | C6 | N6 | HN6 | 179.8° | 180.0° |
| C5 | C6 | N6 | HN6A | 59.8° | 0.0° |
| C6 | C5 | N7 | C8 | 179.4° | 180.0° |
| C6 | N6 | HN6 | HN6A | 120.0° | 179.9° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 178.8° | 180.0° |
| C8 | N9 | C1' | O4' | 73.5° | 19.0° |
| C8 | N9 | C1' | C2' | 43.0° | 95.0° |
| C8 | N9 | C1' | H1' | 163.1° | 142.1° |
| H8 | C8 | N9 | C1' | 1.2° | 0.0° |
| N9 | C1' | O4' | C2' | 122.7° | 118.5° |
| N9 | C1' | O4' | H1' | 117.3° | 122.9° |
| N9 | C1' | C2' | H1' | 117.3° | 122.8° |
| N9 | C1' | C2' | C3' | 157.9° | 155.5° |
| N9 | C1' | C2' | O2' | 80.0° | 86.2° |
| N9 | C1' | C2' | H2' | 36.1° | 37.3° |
| N9 | C1' | O4' | C4' | 156.6° | 158.5° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBA | 118.0° | 120.0° |
| CA | CB | CG | OD2 | 5.7° | 0.0° |
| CA | CB | CG | OD1 | 174.8° | 180.0° |
| HA | CA | CB | CG | 169.4° | 55.0° |
| HA | CA | CB | HB | 70.6° | 175.0° |
| HA | CA | CB | HBA | 49.4° | 64.9° |
| CG | CB | HB | HBA | 117.9° | 120.0° |
| CB | CG | OD2 | OD1 | 179.4° | 180.0° |
| CB | CG | OD1 | HOD1 | 179.4° | 180.0° |
| HB | CB | CG | OD2 | 125.7° | 120.0° |
| HB | CB | CG | OD1 | 54.8° | 60.0° |
| HBA | CB | CG | OD2 | 114.3° | 120.0° |
| HBA | CB | CG | OD1 | 65.1° | 60.0° |
| OD2 | CG | OD1 | HOD1 | 0.0° | 0.0° |
| O4' | C1' | C2' | H1' | 123.3° | 118.6° |
| O4' | C1' | C2' | C3' | 38.6° | 37.0° |
| O4' | C1' | C2' | O2' | 160.6° | 155.3° |
| O4' | C1' | C2' | H2' | 83.2° | 81.2° |
| C1' | O4' | C4' | C3' | 15.1° | 26.5° |
| C1' | O4' | C4' | C5' | 137.9° | 145.9° |
| C1' | O4' | C4' | H4' | 104.4° | 92.9° |
| C1' | C2' | C3' | O2' | 120.8° | 118.2° |
| C1' | C2' | C3' | H2' | 123.0° | 118.2° |
| C1' | C2' | O2' | H2' | 123.2° | 123.6° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C1' | C2' | C3' | C4' | 28.7° | 20.9° |
| C1' | C2' | C3' | O3' | 84.6° | 97.9° |
| C1' | C2' | C3' | H3' | 154.0° | 139.6° |
| C2' | C1' | O4' | C4' | 33.9° | 40.0° |
| H1' | C1' | C2' | C3' | 84.7° | 81.7° |
| H1' | C1' | C2' | O2' | 37.3° | 36.6° |
| H1' | C1' | C2' | H2' | 153.5° | 160.1° |
| H1' | C1' | O4' | C4' | 86.1° | 78.6° |
| C3' | C2' | O2' | H2' | 122.0° | 123.7° |
| C3' | C2' | O2' | HO2' | 65.1° | 67.2° |
| C2' | C3' | C4' | O3' | 118.2° | 118.7° |
| C2' | C3' | C4' | H3' | 121.1° | 118.7° |
| C2' | C3' | O3' | H3' | 121.9° | 122.6° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
| C2' | C3' | C4' | C5' | 111.2° | 121.5° |
| C2' | C3' | C4' | O4' | 9.6° | 2.0° |
| C2' | C3' | C4' | H4' | 131.1° | 117.3° |
| O2' | C2' | C3' | C4' | 149.5° | 139.1° |
| O2' | C2' | C3' | O3' | 36.2° | 20.3° |
| O2' | C2' | C3' | H3' | 85.2° | 102.2° |
| H2' | C2' | O2' | HO2' | 56.8° | 56.4° |
| H2' | C2' | C3' | C4' | 94.3° | 97.3° |
| H2' | C2' | C3' | O3' | 152.4° | 143.9° |
| H2' | C2' | C3' | H3' | 31.0° | 21.4° |
| C4' | C3' | O3' | H3' | 125.4° | 122.6° |
| C4' | C3' | O3' | HO3' | 67.3° | 176.3° |
| C3' | C4' | C5' | O4' | 119.1° | 117.8° |
| C3' | C4' | C5' | H4' | 119.4° | 121.1° |
| C3' | C4' | O4' | H4' | 119.5° | 119.4° |
| C3' | C4' | C5' | O5' | 49.5° | 175.0° |
| C3' | C4' | C5' | H5' | 169.5° | 55.0° |
| C3' | C4' | C5' | H5'A | 70.5° | 65.0° |
| O3' | C3' | C4' | C5' | 130.6° | 119.8° |
| O3' | C3' | C4' | O4' | 108.6° | 120.7° |
| O3' | C3' | C4' | H4' | 12.9° | 1.4° |
| H3' | C3' | O3' | HO3' | 58.1° | 61.1° |
| H3' | C3' | C4' | C5' | 9.9° | 2.7° |
| H3' | C3' | C4' | O4' | 130.7° | 116.7° |
| H3' | C3' | C4' | H4' | 107.8° | 123.9° |
| C5' | C4' | O4' | H4' | 117.8° | 121.1° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C4' | C5' | H5' | H5'A | 121.3° | 119.9° |
| C4' | C5' | O5' | SBE | 145.2° | 180.0° |
| O4' | C4' | C5' | O5' | 69.7° | 67.2° |
| O4' | C4' | C5' | H5' | 50.3° | 172.8° |
| O4' | C4' | C5' | H5'A | 170.3° | 52.9° |
| H4' | C4' | C5' | O5' | 168.9° | 53.9° |
| H4' | C4' | C5' | H5' | 71.1° | 66.1° |
| H4' | C4' | C5' | H5'A | 48.9° | 173.9° |
| O5' | C5' | H5' | H5'A | 121.3° | 120.1° |
| C5' | O5' | SBE | NAT | 62.5° | 75.0° |
| C5' | O5' | SBE | OAX | 53.7° | 171.5° |
| C5' | O5' | SBE | OAY | 176.3° | 38.5° |
| H5' | C5' | O5' | SBE | 25.2° | 60.0° |
| H5'A | C5' | O5' | SBE | 94.8° | 60.0° |
| O5' | SBE | NAT | OAX | 119.1° | 113.5° |
| O5' | SBE | NAT | OAY | 119.1° | 113.5° |
| O5' | SBE | NAT | HNAT | 138.7° | 115.1° |
| O5' | SBE | OAX | OAY | 121.0° | 122.9° |
| NAT | SBE | OAX | OAY | 122.0° | 123.0° |
| HNAT | NAT | SBE | OAX | 19.6° | 131.4° |
| HNAT | NAT | SBE | OAY | 102.1° | 1.5° |
