SIB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.52Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | SD | sing | 1.81Å | 1.81Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| SD | C5' | sing | 1.81Å | 1.80Å | |
| C | O | doub | 1.21Å | 1.33Å | |
| C | OXT | sing | 1.34Å | 1.21Å | |
| OXT | HO | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | C3' | sing | 1.54Å | 1.54Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.54Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.55Å | 1.53Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.47Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.35Å | 1.34Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.42Å | 1.41Å | |
| C6 | N1 | sing | 1.35Å | 1.36Å | |
| C6 | O6 | doub | 1.22Å | 1.36Å | |
| N1 | C2 | sing | 1.36Å | 1.35Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | N3 | doub | 1.30Å | 1.34Å | |
| C2 | HC2 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | sing | 1.34Å | 1.36Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 110.9° |
| N | CA | CB | 110.9° | 109.5° |
| N | CA | C | 110.5° | 109.4° |
| N | CA | HA | 107.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| CB | CA | C | 108.3° | 109.5° |
| CB | CA | HA | 109.7° | 109.5° |
| CA | CB | CG | 111.1° | 109.5° |
| CA | CB | HB2 | 108.9° | 109.5° |
| CA | CB | HB3 | 108.5° | 109.5° |
| C | CA | HA | 110.1° | 109.5° |
| CA | C | O | 119.3° | 120.0° |
| CA | C | OXT | 120.6° | 120.0° |
| CG | CB | HB2 | 108.9° | 109.5° |
| CG | CB | HB3 | 108.6° | 109.4° |
| CB | CG | SD | 109.9° | 109.5° |
| CB | CG | HG2 | 109.3° | 109.5° |
| CB | CG | HG3 | 109.2° | 109.5° |
| HB2 | CB | HB3 | 110.8° | 109.5° |
| SD | CG | HG2 | 109.3° | 109.5° |
| SD | CG | HG3 | 109.2° | 109.5° |
| CG | SD | C5' | 100.8° | 103.0° |
| HG2 | CG | HG3 | 109.9° | 109.4° |
| SD | C5' | C4' | 108.9° | 109.5° |
| SD | C5' | H5'1 | 109.7° | 109.5° |
| SD | C5' | H5'2 | 109.8° | 109.5° |
| O | C | OXT | 120.1° | 120.0° |
| C | OXT | HO | 109.5° | 117.0° |
| C4' | C5' | H5'1 | 109.6° | 109.5° |
| C4' | C5' | H5'2 | 109.8° | 109.4° |
| C5' | C4' | O4' | 110.2° | 109.9° |
| C5' | C4' | C3' | 111.6° | 109.9° |
| C5' | C4' | H4' | 106.9° | 109.9° |
| H5'1 | C5' | H5'2 | 109.1° | 109.5° |
| O4' | C4' | C3' | 107.4° | 107.3° |
| O4' | C4' | H4' | 111.1° | 109.9° |
| C4' | O4' | C1' | 104.6° | 107.0° |
| C3' | C4' | H4' | 109.7° | 110.0° |
| C4' | C3' | C2' | 102.6° | 104.2° |
| C4' | C3' | O3' | 110.7° | 110.5° |
| C4' | C3' | H3' | 114.7° | 110.5° |
| O4' | C1' | C2' | 102.4° | 103.5° |
| O4' | C1' | N9 | 112.1° | 110.7° |
| O4' | C1' | H1' | 113.6° | 110.6° |
| C2' | C3' | O3' | 113.7° | 110.5° |
| C2' | C3' | H3' | 111.7° | 110.5° |
| C3' | C2' | C1' | 100.5° | 102.1° |
| C3' | C2' | O2' | 113.1° | 110.9° |
| C3' | C2' | H2' | 114.6° | 110.9° |
| O3' | C3' | H3' | 103.8° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C1' | C2' | O2' | 113.9° | 110.9° |
| C1' | C2' | H2' | 113.9° | 110.9° |
| C2' | C1' | N9 | 112.9° | 110.6° |
| C2' | C1' | H1' | 112.9° | 110.6° |
| O2' | C2' | H2' | 101.4° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| N9 | C1' | H1' | 103.3° | 110.7° |
| C1' | N9 | C4 | 124.6° | 126.3° |
| C1' | N9 | C8 | 128.0° | 126.2° |
| C4 | N9 | C8 | 107.4° | 107.5° |
| N9 | C4 | C5 | 105.5° | 106.1° |
| N9 | C4 | N3 | 134.6° | 134.3° |
| N9 | C8 | N7 | 110.4° | 109.8° |
| N9 | C8 | H8 | 124.8° | 125.1° |
| N7 | C8 | H8 | 124.8° | 125.1° |
| C8 | N7 | C5 | 109.2° | 109.3° |
| N7 | C5 | C4 | 107.5° | 107.3° |
| N7 | C5 | C6 | 134.8° | 134.3° |
| C4 | C5 | C6 | 117.7° | 118.4° |
| C5 | C4 | N3 | 119.9° | 119.6° |
| C5 | C6 | N1 | 118.8° | 118.2° |
| C5 | C6 | O6 | 119.9° | 120.9° |
| N1 | C6 | O6 | 121.3° | 120.9° |
| C6 | N1 | C2 | 121.7° | 120.4° |
| C6 | N1 | HN1 | 119.2° | 119.8° |
| C2 | N1 | HN1 | 119.1° | 119.8° |
| N1 | C2 | N3 | 121.0° | 122.1° |
| N1 | C2 | HC2 | 119.5° | 119.0° |
| N3 | C2 | HC2 | 119.5° | 118.9° |
| C2 | N3 | C4 | 120.9° | 121.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | C | 121.3° | 119.9° |
| N | CA | CB | HA | 118.5° | 120.0° |
| N | CA | C | HA | 118.5° | 120.0° |
| N | CA | CB | CG | 61.0° | 65.1° |
| N | CA | CB | HB2 | 59.0° | 55.0° |
| N | CA | CB | HB3 | 179.7° | 175.0° |
| N | CA | C | O | 175.1° | 19.9° |
| N | CA | C | OXT | 5.3° | 160.0° |
| H | N | CA | CB | 175.4° | 59.9° |
| H | N | CA | C | 55.4° | 60.0° |
| H | N | CA | HA | 64.7° | 179.9° |
| H2 | N | CA | CB | 55.4° | 64.0° |
| H2 | N | CA | C | 64.6° | 176.0° |
| H2 | N | CA | HA | 175.3° | 56.0° |
| CB | CA | C | HA | 119.9° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.1° |
| CA | CB | CG | HB3 | 119.3° | 120.0° |
| CA | CB | HB2 | HB3 | 119.3° | 120.0° |
| CA | CB | CG | SD | 58.7° | 180.0° |
| CA | CB | CG | HG2 | 61.2° | 60.0° |
| CA | CB | CG | HG3 | 178.5° | 60.0° |
| CB | CA | C | O | 63.3° | 100.0° |
| CB | CA | C | OXT | 116.2° | 80.0° |
| C | CA | CB | CG | 177.7° | 175.0° |
| C | CA | CB | HB2 | 62.3° | 64.9° |
| C | CA | CB | HB3 | 58.4° | 55.1° |
| CA | C | O | OXT | 179.6° | 180.0° |
| CA | C | OXT | HO | 179.5° | 179.9° |
| HA | CA | CB | CG | 57.6° | 55.0° |
| HA | CA | CB | HB2 | 177.6° | 175.0° |
| HA | CA | CB | HB3 | 61.7° | 65.0° |
| HA | CA | C | O | 56.6° | 140.0° |
| HA | CA | C | OXT | 123.9° | 40.0° |
| CG | CB | HB2 | HB3 | 119.3° | 119.9° |
| CB | CG | SD | HG2 | 120.0° | 120.0° |
| CB | CG | SD | HG3 | 119.8° | 120.0° |
| CB | CG | HG2 | HG3 | 119.8° | 120.0° |
| CB | CG | SD | C5' | 168.4° | 180.0° |
| HB2 | CB | CG | SD | 178.7° | 59.9° |
| HB2 | CB | CG | HG2 | 58.8° | 180.0° |
| HB2 | CB | CG | HG3 | 61.5° | 60.1° |
| HB3 | CB | CG | SD | 60.6° | 60.0° |
| HB3 | CB | CG | HG2 | 179.5° | 60.0° |
| HB3 | CB | CG | HG3 | 59.3° | 180.0° |
| SD | CG | HG2 | HG3 | 119.8° | 120.0° |
| CG | SD | C5' | C4' | 58.0° | 180.0° |
| CG | SD | C5' | H5'1 | 62.0° | 60.0° |
| CG | SD | C5' | H5'2 | 178.2° | 60.0° |
| HG2 | CG | SD | C5' | 48.4° | 60.0° |
| HG3 | CG | SD | C5' | 71.8° | 60.0° |
| SD | C5' | C4' | H5'1 | 120.0° | 120.0° |
| SD | C5' | C4' | H5'2 | 120.2° | 120.0° |
| SD | C5' | H5'1 | H5'2 | 120.2° | 120.0° |
| SD | C5' | C4' | O4' | 173.5° | 66.5° |
| SD | C5' | C4' | C3' | 67.3° | 175.7° |
| SD | C5' | C4' | H4' | 52.6° | 54.5° |
| O | C | OXT | HO | 0.0° | 0.0° |
| C4' | C5' | H5'1 | H5'2 | 120.2° | 119.9° |
| C5' | C4' | O4' | C3' | 121.7° | 119.4° |
| C5' | C4' | O4' | H4' | 118.3° | 121.0° |
| C5' | C4' | C3' | H4' | 118.3° | 121.1° |
| C5' | C4' | O4' | C1' | 150.9° | 145.9° |
| C5' | C4' | C3' | C2' | 121.2° | 121.4° |
| C5' | C4' | C3' | O3' | 117.2° | 119.9° |
| C5' | C4' | C3' | H3' | 0.1° | 2.7° |
| H5'1 | C5' | C4' | O4' | 53.5° | 53.6° |
| H5'1 | C5' | C4' | C3' | 172.7° | 64.2° |
| H5'1 | C5' | C4' | H4' | 67.4° | 174.5° |
| H5'2 | C5' | C4' | O4' | 66.3° | 173.5° |
| H5'2 | C5' | C4' | C3' | 52.9° | 55.8° |
| H5'2 | C5' | C4' | H4' | 172.9° | 65.5° |
| O4' | C4' | C3' | H4' | 120.9° | 119.5° |
| O4' | C4' | C3' | C2' | 0.4° | 2.0° |
| O4' | C4' | C3' | O3' | 122.0° | 120.7° |
| O4' | C4' | C3' | H3' | 120.9° | 116.7° |
| C4' | O4' | C1' | C2' | 46.5° | 40.1° |
| C4' | O4' | C1' | N9 | 167.7° | 158.6° |
| C4' | O4' | C1' | H1' | 75.6° | 78.4° |
| C3' | C4' | O4' | C1' | 29.2° | 26.5° |
| C4' | C3' | C2' | O3' | 119.5° | 118.7° |
| C4' | C3' | C2' | H3' | 123.4° | 118.7° |
| C4' | C3' | O3' | H3' | 123.6° | 122.6° |
| C4' | C3' | O3' | HO3' | 35.3° | 180.0° |
| C4' | C3' | C2' | C1' | 26.0° | 20.9° |
| C4' | C3' | C2' | O2' | 147.8° | 139.1° |
| C4' | C3' | C2' | H2' | 96.6° | 97.4° |
| H4' | C4' | O4' | C1' | 90.8° | 93.1° |
| H4' | C4' | C3' | C2' | 120.5° | 117.4° |
| H4' | C4' | C3' | O3' | 1.1° | 1.3° |
| H4' | C4' | C3' | H3' | 118.1° | 123.8° |
| O4' | C1' | C2' | C3' | 44.7° | 37.0° |
| O4' | C1' | C2' | N9 | 120.8° | 118.5° |
| O4' | C1' | C2' | H1' | 122.6° | 118.5° |
| O4' | C1' | C2' | O2' | 166.0° | 155.2° |
| O4' | C1' | C2' | H2' | 78.4° | 81.2° |
| O4' | C1' | N9 | H1' | 122.7° | 123.0° |
| O4' | C1' | N9 | C4 | 76.3° | 156.4° |
| O4' | C1' | N9 | C8 | 104.5° | 23.8° |
| C2' | C3' | O3' | H3' | 121.6° | 122.6° |
| C2' | C3' | O3' | HO3' | 150.1° | 65.2° |
| C3' | C2' | C1' | O2' | 121.3° | 118.2° |
| C3' | C2' | C1' | H2' | 123.1° | 118.3° |
| C3' | C2' | O2' | H2' | 123.3° | 123.6° |
| C3' | C2' | O2' | HO2' | 56.7° | 61.4° |
| C3' | C2' | C1' | N9 | 165.5° | 155.5° |
| C3' | C2' | C1' | H1' | 77.9° | 81.5° |
| O3' | C3' | C2' | C1' | 93.5° | 97.8° |
| O3' | C3' | C2' | O2' | 28.3° | 20.4° |
| O3' | C3' | C2' | H2' | 143.9° | 144.0° |
| H3' | C3' | O3' | HO3' | 88.2° | 57.4° |
| H3' | C3' | C2' | C1' | 149.3° | 139.6° |
| H3' | C3' | C2' | O2' | 88.8° | 102.2° |
| H3' | C3' | C2' | H2' | 26.8° | 21.3° |
| C1' | C2' | O2' | H2' | 122.7° | 123.6° |
| C1' | C2' | O2' | HO2' | 170.7° | 174.2° |
| C2' | C1' | N9 | H1' | 122.2° | 122.9° |
| C2' | C1' | N9 | C4 | 168.6° | 89.5° |
| C2' | C1' | N9 | C8 | 10.6° | 90.2° |
| O2' | C2' | C1' | N9 | 73.3° | 86.3° |
| O2' | C2' | C1' | H1' | 43.4° | 36.7° |
| H2' | C2' | O2' | HO2' | 66.5° | 62.2° |
| H2' | C2' | C1' | N9 | 42.4° | 37.3° |
| H2' | C2' | C1' | H1' | 159.1° | 160.2° |
| C1' | N9 | C4 | C8 | 179.3° | 179.8° |
| C1' | N9 | C8 | N7 | 179.1° | 180.0° |
| C1' | N9 | C8 | H8 | 0.9° | 0.0° |
| C1' | N9 | C4 | C5 | 178.9° | 179.9° |
| C1' | N9 | C4 | N3 | 0.9° | 0.8° |
| H1' | C1' | N9 | C4 | 46.4° | 33.4° |
| H1' | C1' | N9 | C8 | 132.8° | 146.9° |
| C4 | N9 | C8 | N7 | 0.2° | 0.2° |
| C4 | N9 | C8 | H8 | 179.8° | 179.8° |
| N9 | C4 | C5 | N7 | 0.4° | 0.4° |
| N9 | C4 | C5 | N3 | 179.8° | 179.2° |
| N9 | C4 | C5 | C6 | 179.4° | 179.8° |
| N9 | C4 | N3 | C2 | 179.9° | 179.6° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.1° | 0.0° |
| C8 | N9 | C4 | C5 | 0.4° | 0.4° |
| C8 | N9 | C4 | N3 | 179.8° | 179.4° |
| C8 | N7 | C5 | C4 | 0.3° | 0.2° |
| C8 | N7 | C5 | C6 | 179.5° | 179.9° |
| H8 | C8 | N7 | C5 | 180.0° | 180.0° |
| N7 | C5 | C4 | C6 | 179.8° | 179.9° |
| N7 | C5 | C6 | N1 | 179.6° | 180.0° |
| N7 | C5 | C6 | O6 | 0.3° | 0.2° |
| N7 | C5 | C4 | N3 | 179.7° | 179.6° |
| C4 | C5 | C6 | N1 | 0.6° | 0.2° |
| C4 | C5 | C6 | O6 | 179.4° | 179.7° |
| C5 | C4 | N3 | C2 | 0.1° | 0.6° |
| C5 | C6 | N1 | O6 | 179.9° | 179.9° |
| C5 | C6 | N1 | C2 | 0.3° | 0.1° |
| C5 | C6 | N1 | HN1 | 179.7° | 180.0° |
| C6 | C5 | C4 | N3 | 0.5° | 0.5° |
| C6 | N1 | C2 | HN1 | 180.0° | 179.9° |
| C6 | N1 | C2 | N3 | 0.2° | 0.1° |
| C6 | N1 | C2 | HC2 | 179.8° | 179.9° |
| O6 | C6 | N1 | C2 | 179.8° | 180.0° |
| O6 | C6 | N1 | HN1 | 0.2° | 0.1° |
| N1 | C2 | N3 | HC2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.4° | 0.3° |
| HN1 | N1 | C2 | N3 | 179.8° | 180.0° |
| HN1 | N1 | C2 | HC2 | 0.2° | 0.0° |
| HC2 | C2 | N3 | C4 | 179.6° | 179.7° |
