TSB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CG2 | CB | sing | 1.53Å | 1.53Å | |
| CG2 | HG21 | sing | 1.09Å | 1.12Å | |
| CG2 | HG22 | sing | 1.09Å | 1.11Å | |
| CG2 | HG23 | sing | 1.09Å | 1.11Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| N | HN11 | sing | 1.01Å | 1.02Å | |
| N | HN12 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | C | sing | 1.51Å | 1.49Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| CB | OG1 | sing | 1.43Å | 1.43Å | |
| CB | HB | sing | 1.09Å | 1.12Å | |
| OG1 | HG1 | sing | 0.97Å | 0.95Å | |
| C | O | doub | 1.21Å | 1.21Å | |
| C | N8 | sing | 1.35Å | 1.31Å | |
| N8 | S1 | sing | 1.66Å | 1.59Å | |
| N8 | HN8 | sing | 0.97Å | 1.02Å | |
| S1 | O1S | doub | 1.42Å | 1.48Å | |
| S1 | O2S | doub | 1.42Å | 1.49Å | |
| S1 | O5' | sing | 1.52Å | 1.60Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.54Å | 1.51Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.41Å | |
| C2' | C1' | sing | 1.55Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | N9 | sing | 1.46Å | 1.47Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.38Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| C6 | N1 | doub | 1.33Å | 1.35Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CB | CG2 | HG21 | 110.7° | 109.5° |
| CB | CG2 | HG22 | 111.8° | 109.5° |
| CB | CG2 | HG23 | 111.7° | 109.5° |
| CG2 | CB | CA | 110.7° | 109.5° |
| CG2 | CB | OG1 | 108.2° | 109.5° |
| CG2 | CB | HB | 109.7° | 109.5° |
| HG21 | CG2 | HG22 | 111.7° | 109.5° |
| HG21 | CG2 | HG23 | 111.8° | 109.5° |
| HG22 | CG2 | HG23 | 98.7° | 109.4° |
| CA | N | HN11 | 111.9° | 106.6° |
| CA | N | HN12 | 111.3° | 106.8° |
| N | CA | CB | 111.9° | 109.5° |
| N | CA | C | 106.7° | 109.5° |
| N | CA | HA | 109.4° | 109.5° |
| HN11 | N | HN12 | 111.4° | 106.7° |
| CB | CA | C | 108.4° | 109.5° |
| CB | CA | HA | 107.7° | 109.5° |
| CA | CB | OG1 | 110.0° | 109.5° |
| CA | CB | HB | 107.9° | 109.5° |
| C | CA | HA | 112.8° | 109.4° |
| CA | C | O | 120.3° | 120.0° |
| CA | C | N8 | 116.2° | 120.0° |
| OG1 | CB | HB | 110.4° | 109.5° |
| CB | OG1 | HG1 | 108.2° | 106.8° |
| O | C | N8 | 123.5° | 120.0° |
| C | N8 | S1 | 120.9° | 120.0° |
| C | N8 | HN8 | 109.7° | 120.0° |
| S1 | N8 | HN8 | 129.4° | 120.0° |
| N8 | S1 | O1S | 108.0° | 105.8° |
| N8 | S1 | O2S | 106.9° | 105.8° |
| N8 | S1 | O5' | 105.4° | 107.4° |
| O1S | S1 | O2S | 118.8° | 125.4° |
| O1S | S1 | O5' | 107.4° | 105.7° |
| O2S | S1 | O5' | 109.5° | 105.8° |
| S1 | O5' | C5' | 120.8° | 106.8° |
| O5' | C5' | C4' | 110.8° | 109.5° |
| O5' | C5' | H5'1 | 111.8° | 109.5° |
| O5' | C5' | H5'2 | 111.7° | 109.5° |
| C4' | C5' | H5'1 | 111.7° | 109.5° |
| C4' | C5' | H5'2 | 111.7° | 109.4° |
| C5' | C4' | O4' | 109.2° | 109.8° |
| C5' | C4' | C3' | 115.6° | 109.9° |
| C5' | C4' | H4' | 103.8° | 109.9° |
| H5'1 | C5' | H5'2 | 98.7° | 109.5° |
| O4' | C4' | C3' | 103.6° | 107.4° |
| O4' | C4' | H4' | 115.7° | 109.9° |
| C4' | O4' | C1' | 109.6° | 106.9° |
| C3' | C4' | H4' | 109.4° | 109.9° |
| C4' | C3' | O3' | 111.0° | 110.8° |
| C4' | C3' | C2' | 103.0° | 104.0° |
| C4' | C3' | H3' | 113.6° | 110.5° |
| O4' | C1' | C2' | 107.7° | 103.5° |
| O4' | C1' | N9 | 109.4° | 110.6° |
| O4' | C1' | H1' | 111.7° | 110.6° |
| O3' | C3' | C2' | 112.0° | 110.5° |
| O3' | C3' | H3' | 104.9° | 110.4° |
| C3' | O3' | HO3' | 111.0° | 106.8° |
| C2' | C3' | H3' | 112.6° | 110.5° |
| C3' | C2' | O2' | 113.2° | 110.8° |
| C3' | C2' | C1' | 102.1° | 102.1° |
| C3' | C2' | H2' | 112.6° | 111.0° |
| O2' | C2' | C1' | 111.2° | 110.9° |
| O2' | C2' | H2' | 103.6° | 110.8° |
| C2' | O2' | HO2' | 113.2° | 106.8° |
| C1' | C2' | H2' | 114.5° | 110.9° |
| C2' | C1' | N9 | 112.4° | 110.7° |
| C2' | C1' | H1' | 108.7° | 110.6° |
| N9 | C1' | H1' | 107.0° | 110.6° |
| C1' | N9 | C8 | 128.3° | 126.3° |
| C1' | N9 | C4 | 125.9° | 126.3° |
| C8 | N9 | C4 | 105.8° | 107.5° |
| N9 | C8 | N7 | 113.8° | 110.0° |
| N9 | C8 | H8 | 125.2° | 125.0° |
| N9 | C4 | C5 | 105.6° | 105.9° |
| N9 | C4 | N3 | 127.6° | 135.0° |
| N7 | C8 | H8 | 121.0° | 125.0° |
| C8 | N7 | C5 | 103.7° | 109.5° |
| N7 | C5 | C6 | 132.1° | 134.7° |
| N7 | C5 | C4 | 111.1° | 107.2° |
| C6 | C5 | C4 | 116.8° | 118.1° |
| C5 | C6 | N6 | 123.5° | 120.7° |
| C5 | C6 | N1 | 117.9° | 118.4° |
| C5 | C4 | N3 | 126.8° | 119.1° |
| N6 | C6 | N1 | 118.6° | 120.8° |
| C6 | N6 | HN61 | 123.5° | 120.0° |
| C6 | N6 | HN62 | 107.2° | 120.1° |
| C6 | N1 | C2 | 118.5° | 121.2° |
| HN61 | N6 | HN62 | 107.3° | 119.9° |
| N1 | C2 | N3 | 129.2° | 122.4° |
| N1 | C2 | H2 | 115.5° | 118.8° |
| N3 | C2 | H2 | 115.3° | 118.8° |
| C2 | N3 | C4 | 110.8° | 120.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CB | CG2 | HG21 | HG22 | 125.3° | 120.0° |
| CB | CG2 | HG21 | HG23 | 125.2° | 120.0° |
| CB | CG2 | HG22 | HG23 | 117.7° | 120.0° |
| CG2 | CB | CA | N | 168.9° | 60.0° |
| CG2 | CB | CA | OG1 | 119.5° | 120.0° |
| CG2 | CB | CA | HB | 120.1° | 120.0° |
| CG2 | CB | CA | C | 73.8° | 180.0° |
| CG2 | CB | CA | HA | 48.6° | 60.0° |
| CG2 | CB | OG1 | HB | 120.0° | 120.0° |
| CG2 | CB | OG1 | HG1 | 180.0° | 60.0° |
| HG21 | CG2 | HG22 | HG23 | 117.7° | 120.0° |
| HG21 | CG2 | CB | CA | 180.0° | 60.0° |
| HG21 | CG2 | CB | OG1 | 59.4° | 180.0° |
| HG21 | CG2 | CB | HB | 61.0° | 60.0° |
| HG22 | CG2 | CB | CA | 54.8° | 60.0° |
| HG22 | CG2 | CB | OG1 | 175.3° | 60.0° |
| HG22 | CG2 | CB | HB | 64.2° | 180.0° |
| HG23 | CG2 | CB | CA | 54.8° | 180.0° |
| HG23 | CG2 | CB | OG1 | 65.8° | 59.9° |
| HG23 | CG2 | CB | HB | 173.7° | 60.1° |
| CA | N | HN11 | HN12 | 125.3° | 113.8° |
| N | CA | CB | C | 117.4° | 120.1° |
| N | CA | CB | HA | 120.3° | 120.0° |
| N | CA | C | HA | 120.2° | 120.0° |
| N | CA | CB | OG1 | 49.4° | 60.0° |
| N | CA | CB | HB | 71.1° | 180.0° |
| N | CA | C | O | 35.5° | 30.0° |
| N | CA | C | N8 | 144.6° | 150.0° |
| HN11 | N | CA | CB | 180.0° | 60.0° |
| HN11 | N | CA | C | 61.6° | 60.0° |
| HN11 | N | CA | HA | 60.8° | 180.0° |
| HN12 | N | CA | CB | 54.7° | 53.7° |
| HN12 | N | CA | C | 173.1° | 173.7° |
| HN12 | N | CA | HA | 64.5° | 66.3° |
| CB | CA | C | HA | 119.2° | 120.0° |
| CA | CB | OG1 | HB | 119.0° | 120.0° |
| CA | CB | OG1 | HG1 | 59.0° | 60.0° |
| CB | CA | C | O | 85.1° | 90.0° |
| CB | CA | C | N8 | 94.8° | 90.0° |
| C | CA | CB | OG1 | 166.8° | 60.1° |
| C | CA | CB | HB | 46.3° | 60.0° |
| CA | C | O | N8 | 179.9° | 180.0° |
| CA | C | N8 | S1 | 180.0° | 180.0° |
| CA | C | N8 | HN8 | 0.1° | 0.0° |
| HA | CA | CB | OG1 | 70.9° | 180.0° |
| HA | CA | CB | HB | 168.7° | 60.0° |
| HA | CA | C | O | 155.7° | 150.0° |
| HA | CA | C | N8 | 24.4° | 30.0° |
| HB | CB | OG1 | HG1 | 59.9° | 180.0° |
| O | C | N8 | S1 | 0.1° | 0.0° |
| O | C | N8 | HN8 | 179.9° | 180.0° |
| C | N8 | S1 | HN8 | 179.9° | 180.0° |
| C | N8 | S1 | O1S | 52.9° | 172.6° |
| C | N8 | S1 | O2S | 178.1° | 52.6° |
| C | N8 | S1 | O5' | 61.7° | 60.0° |
| N8 | S1 | O1S | O2S | 121.9° | 123.2° |
| N8 | S1 | O1S | O5' | 113.2° | 113.7° |
| N8 | S1 | O2S | O5' | 113.7° | 113.7° |
| N8 | S1 | O5' | C5' | 54.2° | 90.0° |
| HN8 | N8 | S1 | O1S | 127.2° | 7.4° |
| HN8 | N8 | S1 | O2S | 1.8° | 127.4° |
| HN8 | N8 | S1 | O5' | 118.3° | 120.0° |
| O1S | S1 | O2S | O5' | 123.8° | 123.1° |
| O1S | S1 | O5' | C5' | 169.2° | 22.6° |
| O2S | S1 | O5' | C5' | 60.5° | 157.4° |
| S1 | O5' | C5' | C4' | 128.4° | 180.0° |
| S1 | O5' | C5' | H5'1 | 3.2° | 60.0° |
| S1 | O5' | C5' | H5'2 | 106.3° | 60.1° |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.2° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 117.6° | 120.0° |
| O5' | C5' | C4' | O4' | 58.2° | 61.7° |
| O5' | C5' | C4' | C3' | 58.1° | 179.7° |
| O5' | C5' | C4' | H4' | 177.9° | 59.3° |
| C4' | C5' | H5'1 | H5'2 | 117.6° | 119.9° |
| C5' | C4' | O4' | C3' | 123.7° | 119.5° |
| C5' | C4' | O4' | H4' | 116.6° | 121.0° |
| C5' | C4' | C3' | H4' | 116.7° | 121.0° |
| C5' | C4' | O4' | C1' | 150.5° | 146.0° |
| C5' | C4' | C3' | O3' | 83.5° | 119.9° |
| C5' | C4' | C3' | C2' | 156.5° | 121.4° |
| C5' | C4' | C3' | H3' | 34.5° | 2.8° |
| H5'1 | C5' | C4' | O4' | 176.5° | 58.3° |
| H5'1 | C5' | C4' | C3' | 67.2° | 59.7° |
| H5'1 | C5' | C4' | H4' | 52.6° | 179.3° |
| H5'2 | C5' | C4' | O4' | 67.0° | 178.3° |
| H5'2 | C5' | C4' | C3' | 176.7° | 60.3° |
| H5'2 | C5' | C4' | H4' | 56.9° | 60.7° |
| O4' | C4' | C3' | H4' | 123.9° | 119.5° |
| O4' | C4' | C3' | O3' | 157.1° | 120.7° |
| O4' | C4' | C3' | C2' | 37.1° | 1.9° |
| O4' | C4' | C3' | H3' | 84.9° | 116.6° |
| C4' | O4' | C1' | C2' | 5.4° | 40.1° |
| C4' | O4' | C1' | N9 | 127.8° | 158.7° |
| C4' | O4' | C1' | H1' | 114.0° | 78.4° |
| C3' | C4' | O4' | C1' | 26.7° | 26.4° |
| C4' | C3' | O3' | C2' | 114.5° | 114.8° |
| C4' | C3' | O3' | H3' | 123.1° | 122.7° |
| C4' | C3' | C2' | H3' | 122.7° | 118.6° |
| C4' | C3' | O3' | HO3' | 180.0° | 176.2° |
| C4' | C3' | C2' | O2' | 86.4° | 139.2° |
| C4' | C3' | C2' | C1' | 33.2° | 21.0° |
| C4' | C3' | C2' | H2' | 156.4° | 97.2° |
| H4' | C4' | O4' | C1' | 93.0° | 93.0° |
| H4' | C4' | C3' | O3' | 33.2° | 1.2° |
| H4' | C4' | C3' | C2' | 86.8° | 117.6° |
| H4' | C4' | C3' | H3' | 151.1° | 123.9° |
| O4' | C1' | C2' | C3' | 17.9° | 37.1° |
| O4' | C1' | C2' | O2' | 103.1° | 155.2° |
| O4' | C1' | C2' | N9 | 120.6° | 118.6° |
| O4' | C1' | C2' | H1' | 121.2° | 118.5° |
| O4' | C1' | C2' | H2' | 139.8° | 81.2° |
| O4' | C1' | N9 | H1' | 121.1° | 122.9° |
| O4' | C1' | N9 | C8 | 45.6° | 28.5° |
| O4' | C1' | N9 | C4 | 136.1° | 151.7° |
| O3' | C3' | C2' | H3' | 118.0° | 122.5° |
| O3' | C3' | C2' | O2' | 32.9° | 20.2° |
| O3' | C3' | C2' | C1' | 152.5° | 98.0° |
| O3' | C3' | C2' | H2' | 84.3° | 143.8° |
| C2' | C3' | O3' | HO3' | 65.5° | 61.4° |
| C3' | C2' | O2' | C1' | 114.2° | 112.7° |
| C3' | C2' | O2' | H2' | 122.3° | 123.7° |
| C3' | C2' | C1' | H2' | 121.9° | 118.3° |
| C3' | C2' | O2' | HO2' | 179.9° | 67.3° |
| C3' | C2' | C1' | N9 | 102.7° | 155.7° |
| C3' | C2' | C1' | H1' | 139.1° | 81.4° |
| H3' | C3' | O3' | HO3' | 56.9° | 61.1° |
| H3' | C3' | C2' | O2' | 150.8° | 102.2° |
| H3' | C3' | C2' | C1' | 89.5° | 139.6° |
| H3' | C3' | C2' | H2' | 33.7° | 21.4° |
| O2' | C2' | C1' | H2' | 117.1° | 123.6° |
| O2' | C2' | C1' | N9 | 136.3° | 86.2° |
| O2' | C2' | C1' | H1' | 18.1° | 36.7° |
| C1' | C2' | O2' | HO2' | 65.7° | 180.0° |
| C2' | C1' | N9 | H1' | 119.2° | 122.9° |
| C2' | C1' | N9 | C8 | 74.0° | 85.7° |
| C2' | C1' | N9 | C4 | 104.2° | 94.1° |
| H2' | C2' | O2' | HO2' | 57.8° | 56.3° |
| H2' | C2' | C1' | N9 | 19.2° | 37.4° |
| H2' | C2' | C1' | H1' | 99.0° | 160.3° |
| C1' | N9 | C8 | C4 | 178.5° | 179.9° |
| C1' | N9 | C8 | N7 | 177.2° | 180.0° |
| C1' | N9 | C8 | H8 | 2.8° | 0.1° |
| C1' | N9 | C4 | C5 | 177.4° | 179.8° |
| C1' | N9 | C4 | N3 | 1.7° | 0.6° |
| H1' | C1' | N9 | C8 | 166.8° | 151.4° |
| H1' | C1' | N9 | C4 | 15.0° | 28.8° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 0.8° | 0.1° |
| C8 | N9 | C4 | C5 | 1.2° | 0.3° |
| C8 | N9 | C4 | N3 | 179.7° | 179.5° |
| C4 | N9 | C8 | N7 | 1.3° | 0.2° |
| C4 | N9 | C8 | H8 | 178.7° | 179.8° |
| N9 | C4 | C5 | N7 | 0.8° | 0.3° |
| N9 | C4 | C5 | C6 | 178.8° | 179.9° |
| N9 | C4 | C5 | N3 | 179.1° | 179.3° |
| N9 | C4 | N3 | C2 | 178.9° | 179.6° |
| C8 | N7 | C5 | C6 | 179.5° | 180.0° |
| C8 | N7 | C5 | C4 | 0.0° | 0.3° |
| H8 | C8 | N7 | C5 | 179.2° | 180.0° |
| N7 | C5 | C6 | C4 | 179.5° | 179.7° |
| N7 | C5 | C6 | N6 | 0.1° | 0.1° |
| N7 | C5 | C6 | N1 | 180.0° | 180.0° |
| N7 | C5 | C4 | N3 | 179.9° | 179.7° |
| C5 | C6 | N6 | N1 | 180.0° | 179.9° |
| C5 | C6 | N6 | HN61 | 180.0° | 180.0° |
| C5 | C6 | N6 | HN62 | 54.8° | 0.1° |
| C5 | C6 | N1 | C2 | 0.4° | 0.0° |
| C6 | C5 | C4 | N3 | 0.3° | 0.5° |
| C4 | C5 | C6 | N6 | 179.5° | 179.8° |
| C4 | C5 | C6 | N1 | 0.5° | 0.3° |
| C5 | C4 | N3 | C2 | 0.0° | 0.5° |
| C6 | N6 | HN61 | HN62 | 125.3° | 179.9° |
| N6 | C6 | N1 | C2 | 179.6° | 180.0° |
| N1 | C6 | N6 | HN61 | 0.0° | 0.0° |
| N1 | C6 | N6 | HN62 | 125.3° | 180.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| C6 | N1 | C2 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | H2 | 179.9° | 180.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.2° |
| H2 | C2 | N3 | C4 | 179.8° | 179.7° |
