ABY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7' | O4' | sing | 1.43Å | 1.43Å | |
| C7' | H7'1 | sing | 1.09Å | 1.11Å | |
| C7' | H7'2 | sing | 1.09Å | 1.11Å | |
| C7' | H7'3 | sing | 1.09Å | 1.12Å | |
| O4' | C4' | sing | 1.36Å | 1.38Å | |
| C4' | C5' | sing | 1.39Å | 1.40Å | Aromatic |
| C4' | C3' | doub | 1.39Å | 1.40Å | Aromatic |
| C5' | C6' | doub | 1.38Å | 1.39Å | Aromatic |
| C5' | H5' | sing | 1.08Å | 1.10Å | |
| C6' | C1' | sing | 1.38Å | 1.39Å | Aromatic |
| C6' | H6' | sing | 1.08Å | 1.10Å | |
| C1' | C2' | doub | 1.38Å | 1.40Å | Aromatic |
| C1' | C' | sing | 1.51Å | 1.50Å | |
| C2' | C3' | sing | 1.38Å | 1.40Å | Aromatic |
| C2' | H2' | sing | 1.08Å | 1.10Å | |
| C3' | H3' | sing | 1.08Å | 1.10Å | |
| C' | SG2 | sing | 1.81Å | 1.74Å | |
| C' | H'1 | sing | 1.09Å | 1.12Å | |
| C' | H'2 | sing | 1.09Å | 1.11Å | |
| SG2 | CB2 | sing | 1.81Å | 1.80Å | |
| CB2 | CA2 | sing | 1.53Å | 1.52Å | |
| CB2 | HB21 | sing | 1.09Å | 1.11Å | |
| CB2 | HB22 | sing | 1.09Å | 1.12Å | |
| CA2 | N2 | sing | 1.46Å | 1.45Å | |
| CA2 | C2 | sing | 1.51Å | 1.52Å | |
| CA2 | HA2 | sing | 1.09Å | 1.11Å | |
| N2 | CD1 | sing | 1.35Å | 1.31Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| CD1 | OE1 | doub | 1.21Å | 1.23Å | |
| CD1 | CG1 | sing | 1.51Å | 1.52Å | |
| CG1 | CB1 | sing | 1.53Å | 1.51Å | |
| CG1 | HG11 | sing | 1.09Å | 1.12Å | |
| CG1 | HG12 | sing | 1.09Å | 1.12Å | |
| CB1 | CA1 | sing | 1.53Å | 1.53Å | |
| CB1 | HB11 | sing | 1.09Å | 1.11Å | |
| CB1 | HB12 | sing | 1.09Å | 1.12Å | |
| CA1 | N1 | sing | 1.47Å | 1.51Å | |
| CA1 | HA11 | sing | 1.09Å | 1.11Å | |
| CA1 | HA12 | sing | 1.09Å | 1.12Å | |
| N1 | HN11 | sing | 1.01Å | 1.02Å | |
| N1 | HN12 | sing | 1.01Å | 1.02Å | |
| C2 | O2 | doub | 1.21Å | 1.24Å | |
| C2 | N3 | sing | 1.35Å | 1.34Å | |
| N3 | CA3 | sing | 1.47Å | 1.46Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| CA3 | C3 | sing | 1.51Å | 1.51Å | |
| CA3 | HA31 | sing | 1.09Å | 1.11Å | |
| CA3 | HA32 | sing | 1.09Å | 1.11Å | |
| C3 | O31 | doub | 1.21Å | 1.26Å | |
| C3 | O32 | sing | 1.34Å | 1.25Å | |
| O32 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4' | C7' | H7'1 | 121.5° | 109.4° |
| O4' | C7' | H7'2 | 107.9° | 109.5° |
| O4' | C7' | H7'3 | 107.9° | 109.5° |
| C7' | O4' | C4' | 121.5° | 106.8° |
| H7'1 | C7' | H7'2 | 108.0° | 109.5° |
| H7'1 | C7' | H7'3 | 107.9° | 109.5° |
| H7'2 | C7' | H7'3 | 101.9° | 109.5° |
| O4' | C4' | C5' | 121.3° | 120.1° |
| O4' | C4' | C3' | 119.0° | 120.0° |
| C5' | C4' | C3' | 119.7° | 119.9° |
| C4' | C5' | C6' | 120.0° | 120.0° |
| C4' | C5' | H5' | 120.5° | 120.0° |
| C4' | C3' | C2' | 120.3° | 119.9° |
| C4' | C3' | H3' | 119.9° | 120.0° |
| C6' | C5' | H5' | 119.5° | 120.0° |
| C5' | C6' | C1' | 120.0° | 120.1° |
| C5' | C6' | H6' | 120.0° | 120.0° |
| C1' | C6' | H6' | 120.0° | 119.9° |
| C6' | C1' | C2' | 120.9° | 120.0° |
| C6' | C1' | C' | 118.2° | 120.0° |
| C2' | C1' | C' | 120.8° | 120.0° |
| C1' | C2' | C3' | 119.1° | 120.1° |
| C1' | C2' | H2' | 120.5° | 119.9° |
| C1' | C' | SG2 | 113.7° | 109.5° |
| C1' | C' | H'1 | 110.6° | 109.5° |
| C1' | C' | H'2 | 110.7° | 109.5° |
| C3' | C2' | H2' | 120.5° | 120.0° |
| C2' | C3' | H3' | 119.8° | 120.0° |
| SG2 | C' | H'1 | 110.7° | 109.5° |
| SG2 | C' | H'2 | 110.6° | 109.4° |
| C' | SG2 | CB2 | 100.5° | 100.0° |
| H'1 | C' | H'2 | 99.7° | 109.4° |
| SG2 | CB2 | CA2 | 112.2° | 109.5° |
| SG2 | CB2 | HB21 | 111.2° | 109.6° |
| SG2 | CB2 | HB22 | 111.2° | 109.5° |
| CA2 | CB2 | HB21 | 111.2° | 109.4° |
| CA2 | CB2 | HB22 | 111.2° | 109.4° |
| CB2 | CA2 | N2 | 107.5° | 109.5° |
| CB2 | CA2 | C2 | 110.9° | 109.5° |
| CB2 | CA2 | HA2 | 110.1° | 109.5° |
| HB21 | CB2 | HB22 | 99.2° | 109.4° |
| N2 | CA2 | C2 | 110.4° | 109.4° |
| N2 | CA2 | HA2 | 110.6° | 109.5° |
| CA2 | N2 | CD1 | 126.0° | 120.0° |
| CA2 | N2 | HN2 | 122.7° | 120.0° |
| C2 | CA2 | HA2 | 107.3° | 109.4° |
| CA2 | C2 | O2 | 120.7° | 120.0° |
| CA2 | C2 | N3 | 114.2° | 120.0° |
| CD1 | N2 | HN2 | 111.3° | 120.0° |
| N2 | CD1 | OE1 | 124.4° | 120.0° |
| N2 | CD1 | CG1 | 112.5° | 120.0° |
| OE1 | CD1 | CG1 | 123.1° | 120.0° |
| CD1 | CG1 | CB1 | 113.8° | 109.5° |
| CD1 | CG1 | HG11 | 110.7° | 109.5° |
| CD1 | CG1 | HG12 | 110.6° | 109.5° |
| CB1 | CG1 | HG11 | 110.6° | 109.4° |
| CB1 | CG1 | HG12 | 110.6° | 109.4° |
| CG1 | CB1 | CA1 | 111.2° | 109.5° |
| CG1 | CB1 | HB11 | 111.6° | 109.5° |
| CG1 | CB1 | HB12 | 111.6° | 109.5° |
| HG11 | CG1 | HG12 | 99.7° | 109.5° |
| CA1 | CB1 | HB11 | 111.5° | 109.4° |
| CA1 | CB1 | HB12 | 111.5° | 109.4° |
| CB1 | CA1 | N1 | 113.5° | 109.5° |
| CB1 | CA1 | HA11 | 110.8° | 109.4° |
| CB1 | CA1 | HA12 | 110.8° | 109.5° |
| HB11 | CB1 | HB12 | 98.8° | 109.5° |
| N1 | CA1 | HA11 | 110.7° | 109.5° |
| N1 | CA1 | HA12 | 110.7° | 109.5° |
| CA1 | N1 | HN11 | 113.5° | 106.7° |
| CA1 | N1 | HN12 | 110.8° | 106.7° |
| HA11 | CA1 | HA12 | 99.6° | 109.5° |
| HN11 | N1 | HN12 | 110.7° | 106.7° |
| O2 | C2 | N3 | 125.0° | 120.0° |
| C2 | N3 | CA3 | 124.9° | 120.0° |
| C2 | N3 | HN3 | 112.6° | 120.0° |
| CA3 | N3 | HN3 | 122.5° | 120.0° |
| N3 | CA3 | C3 | 111.4° | 109.5° |
| N3 | CA3 | HA31 | 111.5° | 109.4° |
| N3 | CA3 | HA32 | 111.5° | 109.4° |
| C3 | CA3 | HA31 | 111.5° | 109.5° |
| C3 | CA3 | HA32 | 111.5° | 109.5° |
| CA3 | C3 | O31 | 118.8° | 120.0° |
| CA3 | C3 | O32 | 117.2° | 120.0° |
| HA31 | CA3 | HA32 | 98.9° | 109.5° |
| O31 | C3 | O32 | 124.0° | 120.0° |
| C3 | O32 | H32 | 117.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4' | C7' | H7'1 | H7'2 | 125.3° | 120.0° |
| O4' | C7' | H7'1 | H7'3 | 125.2° | 119.9° |
| O4' | C7' | H7'2 | H7'3 | 113.5° | 120.0° |
| C7' | O4' | C4' | C5' | 21.3° | 180.0° |
| C7' | O4' | C4' | C3' | 157.9° | 0.4° |
| H7'1 | C7' | H7'2 | H7'3 | 113.5° | 120.0° |
| H7'1 | C7' | O4' | C4' | 179.9° | 180.0° |
| H7'2 | C7' | O4' | C4' | 54.7° | 60.0° |
| H7'3 | C7' | O4' | C4' | 54.7° | 60.1° |
| O4' | C4' | C5' | C3' | 179.2° | 179.6° |
| O4' | C4' | C5' | C6' | 178.9° | 179.9° |
| O4' | C4' | C5' | H5' | 1.1° | 0.0° |
| O4' | C4' | C3' | C2' | 179.1° | 179.8° |
| O4' | C4' | C3' | H3' | 1.0° | 0.3° |
| C4' | C5' | C6' | H5' | 180.0° | 179.9° |
| C4' | C5' | C6' | C1' | 0.7° | 0.1° |
| C4' | C5' | C6' | H6' | 179.3° | 179.9° |
| C5' | C4' | C3' | C2' | 0.1° | 0.6° |
| C5' | C4' | C3' | H3' | 179.8° | 180.0° |
| C3' | C4' | C5' | C6' | 0.2° | 0.3° |
| C3' | C4' | C5' | H5' | 179.8° | 179.7° |
| C4' | C3' | C2' | C1' | 0.4° | 0.5° |
| C4' | C3' | C2' | H3' | 179.9° | 179.4° |
| C4' | C3' | C2' | H2' | 179.6° | 179.6° |
| C5' | C6' | C1' | H6' | 180.0° | 179.8° |
| C5' | C6' | C1' | C2' | 1.0° | 0.1° |
| C5' | C6' | C1' | C' | 178.7° | 180.0° |
| H5' | C5' | C6' | C1' | 179.3° | 180.0° |
| H5' | C5' | C6' | H6' | 0.7° | 0.1° |
| C6' | C1' | C2' | C' | 177.6° | 179.9° |
| C6' | C1' | C2' | C3' | 0.9° | 0.2° |
| C6' | C1' | C2' | H2' | 179.1° | 180.0° |
| C6' | C1' | C' | SG2 | 96.6° | 89.9° |
| C6' | C1' | C' | H'1 | 28.6° | 150.0° |
| C6' | C1' | C' | H'2 | 138.1° | 30.1° |
| H6' | C6' | C1' | C2' | 179.0° | 180.0° |
| H6' | C6' | C1' | C' | 1.3° | 0.1° |
| C1' | C2' | C3' | H2' | 180.0° | 179.8° |
| C1' | C2' | C3' | H3' | 179.5° | 180.0° |
| C2' | C1' | C' | SG2 | 85.7° | 90.0° |
| C2' | C1' | C' | H'1 | 149.1° | 30.1° |
| C2' | C1' | C' | H'2 | 39.5° | 150.1° |
| C' | C1' | C2' | C3' | 178.5° | 179.7° |
| C' | C1' | C2' | H2' | 1.5° | 0.1° |
| C1' | C' | SG2 | H'1 | 125.2° | 120.1° |
| C1' | C' | SG2 | H'2 | 125.3° | 120.0° |
| C1' | C' | H'1 | H'2 | 116.6° | 119.9° |
| C1' | C' | SG2 | CB2 | 152.4° | 180.0° |
| H2' | C2' | C3' | H3' | 0.5° | 0.2° |
| SG2 | C' | H'1 | H'2 | 116.5° | 120.0° |
| C' | SG2 | CB2 | CA2 | 72.1° | 180.0° |
| C' | SG2 | CB2 | HB21 | 53.2° | 60.0° |
| C' | SG2 | CB2 | HB22 | 162.7° | 60.0° |
| H'1 | C' | SG2 | CB2 | 82.4° | 59.9° |
| H'2 | C' | SG2 | CB2 | 27.1° | 60.0° |
| SG2 | CB2 | CA2 | HB21 | 125.2° | 120.1° |
| SG2 | CB2 | CA2 | HB22 | 125.2° | 120.0° |
| SG2 | CB2 | HB21 | HB22 | 117.1° | 120.1° |
| SG2 | CB2 | CA2 | N2 | 70.9° | 60.0° |
| SG2 | CB2 | CA2 | C2 | 168.3° | 180.0° |
| SG2 | CB2 | CA2 | HA2 | 49.7° | 60.0° |
| CA2 | CB2 | HB21 | HB22 | 117.1° | 119.9° |
| CB2 | CA2 | N2 | C2 | 121.1° | 120.0° |
| CB2 | CA2 | N2 | HA2 | 120.3° | 120.0° |
| CB2 | CA2 | C2 | HA2 | 120.3° | 120.0° |
| CB2 | CA2 | N2 | CD1 | 131.8° | 150.0° |
| CB2 | CA2 | N2 | HN2 | 48.3° | 30.0° |
| CB2 | CA2 | C2 | O2 | 56.6° | 89.9° |
| CB2 | CA2 | C2 | N3 | 119.9° | 90.0° |
| HB21 | CB2 | CA2 | N2 | 163.9° | 179.9° |
| HB21 | CB2 | CA2 | C2 | 43.1° | 59.9° |
| HB21 | CB2 | CA2 | HA2 | 75.5° | 60.0° |
| HB22 | CB2 | CA2 | N2 | 54.3° | 60.0° |
| HB22 | CB2 | CA2 | C2 | 66.5° | 60.0° |
| HB22 | CB2 | CA2 | HA2 | 174.9° | 179.9° |
| N2 | CA2 | C2 | HA2 | 120.6° | 120.0° |
| CA2 | N2 | CD1 | HN2 | 180.0° | 180.0° |
| CA2 | N2 | CD1 | OE1 | 0.6° | 0.0° |
| CA2 | N2 | CD1 | CG1 | 178.6° | 180.0° |
| N2 | CA2 | C2 | O2 | 62.5° | 150.0° |
| N2 | CA2 | C2 | N3 | 121.0° | 30.0° |
| C2 | CA2 | N2 | CD1 | 107.1° | 90.0° |
| C2 | CA2 | N2 | HN2 | 72.9° | 90.0° |
| CA2 | C2 | O2 | N3 | 176.1° | 179.9° |
| CA2 | C2 | N3 | CA3 | 175.5° | 179.9° |
| CA2 | C2 | N3 | HN3 | 4.6° | 0.0° |
| HA2 | CA2 | N2 | CD1 | 11.5° | 30.0° |
| HA2 | CA2 | N2 | HN2 | 168.6° | 150.1° |
| HA2 | CA2 | C2 | O2 | 176.9° | 30.1° |
| HA2 | CA2 | C2 | N3 | 0.4° | 150.0° |
| N2 | CD1 | OE1 | CG1 | 179.1° | 180.0° |
| N2 | CD1 | CG1 | CB1 | 175.6° | 180.0° |
| N2 | CD1 | CG1 | HG11 | 59.2° | 60.1° |
| N2 | CD1 | CG1 | HG12 | 50.4° | 60.0° |
| HN2 | N2 | CD1 | OE1 | 179.4° | 180.0° |
| HN2 | N2 | CD1 | CG1 | 1.3° | 0.1° |
| OE1 | CD1 | CG1 | CB1 | 5.1° | 0.0° |
| OE1 | CD1 | CG1 | HG11 | 120.1° | 120.0° |
| OE1 | CD1 | CG1 | HG12 | 130.4° | 119.9° |
| CD1 | CG1 | CB1 | HG11 | 125.3° | 120.0° |
| CD1 | CG1 | CB1 | HG12 | 125.3° | 120.0° |
| CD1 | CG1 | HG11 | HG12 | 116.5° | 120.1° |
| CD1 | CG1 | CB1 | CA1 | 155.9° | 180.0° |
| CD1 | CG1 | CB1 | HB11 | 78.9° | 60.0° |
| CD1 | CG1 | CB1 | HB12 | 30.6° | 60.0° |
| CB1 | CG1 | HG11 | HG12 | 116.4° | 120.0° |
| CG1 | CB1 | CA1 | HB11 | 125.3° | 120.0° |
| CG1 | CB1 | CA1 | HB12 | 125.3° | 120.0° |
| CG1 | CB1 | HB11 | HB12 | 117.5° | 120.0° |
| CG1 | CB1 | CA1 | N1 | 157.5° | 180.0° |
| CG1 | CB1 | CA1 | HA11 | 77.2° | 60.0° |
| CG1 | CB1 | CA1 | HA12 | 32.3° | 59.9° |
| HG11 | CG1 | CB1 | CA1 | 30.6° | 60.0° |
| HG11 | CG1 | CB1 | HB11 | 155.8° | 180.0° |
| HG11 | CG1 | CB1 | HB12 | 94.7° | 60.0° |
| HG12 | CG1 | CB1 | CA1 | 78.9° | 60.0° |
| HG12 | CG1 | CB1 | HB11 | 46.4° | 60.0° |
| HG12 | CG1 | CB1 | HB12 | 155.9° | 180.0° |
| CA1 | CB1 | HB11 | HB12 | 117.4° | 120.0° |
| CB1 | CA1 | N1 | HA11 | 125.3° | 120.0° |
| CB1 | CA1 | N1 | HA12 | 125.3° | 120.0° |
| CB1 | CA1 | HA11 | HA12 | 116.6° | 120.0° |
| CB1 | CA1 | N1 | HN11 | 180.0° | 180.0° |
| CB1 | CA1 | N1 | HN12 | 54.8° | 66.3° |
| HB11 | CB1 | CA1 | N1 | 32.3° | 60.0° |
| HB11 | CB1 | CA1 | HA11 | 157.5° | 180.0° |
| HB11 | CB1 | CA1 | HA12 | 93.0° | 60.0° |
| HB12 | CB1 | CA1 | N1 | 77.2° | 60.0° |
| HB12 | CB1 | CA1 | HA11 | 48.1° | 60.0° |
| HB12 | CB1 | CA1 | HA12 | 157.6° | 180.0° |
| N1 | CA1 | HA11 | HA12 | 116.5° | 120.0° |
| CA1 | N1 | HN11 | HN12 | 125.3° | 113.8° |
| HA11 | CA1 | N1 | HN11 | 54.7° | 60.0° |
| HA11 | CA1 | N1 | HN12 | 70.5° | 173.8° |
| HA12 | CA1 | N1 | HN11 | 54.7° | 60.0° |
| HA12 | CA1 | N1 | HN12 | 180.0° | 53.8° |
| O2 | C2 | N3 | CA3 | 0.9° | 0.0° |
| O2 | C2 | N3 | HN3 | 179.1° | 180.0° |
| C2 | N3 | CA3 | HN3 | 180.0° | 180.0° |
| C2 | N3 | CA3 | C3 | 113.6° | 180.0° |
| C2 | N3 | CA3 | HA31 | 121.1° | 60.0° |
| C2 | N3 | CA3 | HA32 | 11.6° | 60.0° |
| N3 | CA3 | C3 | HA31 | 125.3° | 120.0° |
| N3 | CA3 | C3 | HA32 | 125.2° | 120.0° |
| N3 | CA3 | HA31 | HA32 | 117.4° | 119.9° |
| N3 | CA3 | C3 | O31 | 2.6° | 0.0° |
| N3 | CA3 | C3 | O32 | 178.1° | 180.0° |
| HN3 | N3 | CA3 | C3 | 66.3° | 0.0° |
| HN3 | N3 | CA3 | HA31 | 58.9° | 120.0° |
| HN3 | N3 | CA3 | HA32 | 168.4° | 120.0° |
| C3 | CA3 | HA31 | HA32 | 117.4° | 120.1° |
| CA3 | C3 | O31 | O32 | 179.2° | 179.9° |
| CA3 | C3 | O32 | H32 | 180.0° | 180.0° |
| HA31 | CA3 | C3 | O31 | 122.6° | 119.9° |
| HA31 | CA3 | C3 | O32 | 56.6° | 60.0° |
| HA32 | CA3 | C3 | O31 | 127.8° | 120.0° |
| HA32 | CA3 | C3 | O32 | 52.9° | 60.0° |
| O31 | C3 | O32 | H32 | 0.8° | 0.1° |
