Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | CA1 | sing | 1.47Å | 1.50Å | |
| N1 | HN11 | sing | 1.01Å | 1.00Å | |
| N1 | HN12 | sing | 1.01Å | 1.00Å | |
| CA1 | C1 | sing | 1.51Å | 1.49Å | |
| CA1 | CB1 | sing | 1.53Å | 1.51Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| C1 | O11 | doub | 1.21Å | 1.20Å | |
| C1 | O12 | sing | 1.34Å | 1.39Å | |
| O12 | HO2 | sing | 0.97Å | 0.95Å | |
| CB1 | CG1 | sing | 1.53Å | 1.58Å | |
| CB1 | HB11 | sing | 1.09Å | 1.10Å | |
| CB1 | HB12 | sing | 1.09Å | 1.10Å | |
| CG1 | CD1 | sing | 1.51Å | 1.54Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CD1 | OE1 | doub | 1.21Å | 1.26Å | |
| CD1 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | CA2 | sing | 1.47Å | 1.46Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| CA2 | C2 | sing | 1.51Å | 1.53Å | |
| CA2 | CB2 | sing | 1.53Å | 1.55Å | |
| CA2 | HA2 | sing | 1.09Å | 1.10Å | |
| C2 | O2 | doub | 1.21Å | 1.22Å | |
| C2 | N3 | sing | 1.35Å | 1.32Å | |
| CB2 | SG2 | sing | 1.81Å | 1.78Å | |
| CB2 | HB21 | sing | 1.09Å | 1.10Å | |
| CB2 | HB22 | sing | 1.09Å | 1.10Å | |
| SG2 | C1' | sing | 1.76Å | 1.73Å | |
| N3 | CA3 | sing | 1.47Å | 1.48Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| CA3 | C3 | sing | 1.51Å | 1.49Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| C3 | O31 | doub | 1.21Å | 1.26Å | |
| C3 | O32 | sing | 1.34Å | 1.35Å | |
| O32 | HO3 | sing | 0.97Å | 0.95Å | |
| C1' | C2' | doub | 1.39Å | 1.41Å | Aromatic |
| C1' | C6' | sing | 1.39Å | 1.44Å | Aromatic |
| C2' | N2' | sing | 1.48Å | 1.48Å | |
| C2' | C3' | sing | 1.38Å | 1.43Å | Aromatic |
| N2' | O21 | doub | 1.22Å | 1.24Å | |
| N2' | O22 | sing | 1.22Å | 1.28Å | |
| C3' | C4' | doub | 1.38Å | 1.43Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.08Å | |
| C4' | N4' | sing | 1.48Å | 1.41Å | |
| C4' | C5' | sing | 1.38Å | 1.41Å | Aromatic |
| N4' | O41 | doub | 1.22Å | 1.36Å | |
| N4' | O42 | sing | 1.22Å | 1.38Å | |
| C5' | C6' | doub | 1.38Å | 1.40Å | Aromatic |
| C5' | H5' | sing | 1.08Å | 1.08Å | |
| C6' | H6' | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA1 | N1 | HN11 | 109.5° | 111.0° |
| CA1 | N1 | HN12 | 109.4° | 111.0° |
| N1 | CA1 | C1 | 113.2° | 109.5° |
| N1 | CA1 | CB1 | 109.0° | 109.5° |
| N1 | CA1 | HA1 | 106.4° | 109.4° |
| HN11 | N1 | HN12 | 109.5° | 111.0° |
| C1 | CA1 | CB1 | 114.7° | 109.5° |
| C1 | CA1 | HA1 | 106.5° | 109.5° |
| CA1 | C1 | O11 | 129.4° | 120.0° |
| CA1 | C1 | O12 | 108.2° | 120.0° |
| CB1 | CA1 | HA1 | 106.3° | 109.5° |
| CA1 | CB1 | CG1 | 109.3° | 109.5° |
| CA1 | CB1 | HB11 | 109.5° | 109.5° |
| CA1 | CB1 | HB12 | 109.5° | 109.5° |
| O11 | C1 | O12 | 122.4° | 120.0° |
| C1 | O12 | HO2 | 109.5° | 117.0° |
| CG1 | CB1 | HB11 | 109.5° | 109.4° |
| CG1 | CB1 | HB12 | 109.5° | 109.4° |
| CB1 | CG1 | CD1 | 108.2° | 109.5° |
| CB1 | CG1 | HG11 | 109.8° | 109.5° |
| CB1 | CG1 | HG12 | 109.8° | 109.4° |
| HB11 | CB1 | HB12 | 109.5° | 109.5° |
| CD1 | CG1 | HG11 | 109.8° | 109.5° |
| CD1 | CG1 | HG12 | 109.8° | 109.5° |
| CG1 | CD1 | OE1 | 119.0° | 120.0° |
| CG1 | CD1 | N2 | 112.3° | 120.0° |
| HG11 | CG1 | HG12 | 109.4° | 109.4° |
| OE1 | CD1 | N2 | 128.7° | 120.0° |
| CD1 | N2 | CA2 | 124.5° | 120.0° |
| CD1 | N2 | HN2 | 117.8° | 120.0° |
| CA2 | N2 | HN2 | 117.8° | 120.0° |
| N2 | CA2 | C2 | 109.2° | 109.4° |
| N2 | CA2 | CB2 | 111.1° | 109.5° |
| N2 | CA2 | HA2 | 108.4° | 109.5° |
| C2 | CA2 | CB2 | 113.1° | 109.5° |
| C2 | CA2 | HA2 | 107.6° | 109.5° |
| CA2 | C2 | O2 | 116.0° | 120.0° |
| CA2 | C2 | N3 | 120.4° | 120.0° |
| CB2 | CA2 | HA2 | 107.3° | 109.5° |
| CA2 | CB2 | SG2 | 110.0° | 109.5° |
| CA2 | CB2 | HB21 | 109.4° | 109.5° |
| CA2 | CB2 | HB22 | 109.3° | 109.5° |
| O2 | C2 | N3 | 123.7° | 120.0° |
| C2 | N3 | CA3 | 119.3° | 120.0° |
| C2 | N3 | HN3 | 120.3° | 120.0° |
| SG2 | CB2 | HB21 | 109.4° | 109.5° |
| SG2 | CB2 | HB22 | 109.4° | 109.5° |
| CB2 | SG2 | C1' | 114.4° | 103.0° |
| HB21 | CB2 | HB22 | 109.4° | 109.4° |
| SG2 | C1' | C2' | 119.3° | 120.1° |
| SG2 | C1' | C6' | 119.2° | 120.1° |
| CA3 | N3 | HN3 | 120.4° | 120.0° |
| N3 | CA3 | C3 | 111.3° | 109.5° |
| N3 | CA3 | HA31 | 109.0° | 109.5° |
| N3 | CA3 | HA32 | 109.0° | 109.5° |
| C3 | CA3 | HA31 | 109.0° | 109.5° |
| C3 | CA3 | HA32 | 109.0° | 109.4° |
| CA3 | C3 | O31 | 122.7° | 120.0° |
| CA3 | C3 | O32 | 123.4° | 120.0° |
| HA31 | CA3 | HA32 | 109.5° | 109.5° |
| O31 | C3 | O32 | 113.9° | 120.0° |
| C3 | O32 | HO3 | 109.5° | 117.0° |
| C2' | C1' | C6' | 121.4° | 119.8° |
| C1' | C2' | N2' | 127.7° | 120.0° |
| C1' | C2' | C3' | 117.7° | 119.9° |
| C1' | C6' | C5' | 120.3° | 120.0° |
| C1' | C6' | H6' | 119.9° | 120.0° |
| N2' | C2' | C3' | 114.5° | 120.1° |
| C2' | N2' | O21 | 123.0° | 120.0° |
| C2' | N2' | O22 | 113.7° | 120.0° |
| C2' | C3' | C4' | 120.3° | 120.1° |
| C2' | C3' | H3' | 119.9° | 119.9° |
| O21 | N2' | O22 | 123.3° | 120.0° |
| C4' | C3' | H3' | 119.9° | 120.0° |
| C3' | C4' | N4' | 119.6° | 119.9° |
| C3' | C4' | C5' | 121.5° | 120.2° |
| N4' | C4' | C5' | 118.9° | 119.9° |
| C4' | N4' | O41 | 119.9° | 120.0° |
| C4' | N4' | O42 | 122.7° | 120.0° |
| C4' | C5' | C6' | 118.7° | 120.1° |
| C4' | C5' | H5' | 120.7° | 120.0° |
| O41 | N4' | O42 | 117.4° | 120.0° |
| C6' | C5' | H5' | 120.7° | 120.0° |
| C5' | C6' | H6' | 119.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA1 | N1 | HN11 | HN12 | 120.0° | 123.9° |
| N1 | CA1 | C1 | CB1 | 126.0° | 120.0° |
| N1 | CA1 | C1 | HA1 | 116.6° | 119.9° |
| N1 | CA1 | CB1 | HA1 | 114.4° | 120.0° |
| N1 | CA1 | C1 | O11 | 151.9° | 20.0° |
| N1 | CA1 | C1 | O12 | 27.7° | 160.0° |
| N1 | CA1 | CB1 | CG1 | 161.7° | 65.0° |
| N1 | CA1 | CB1 | HB11 | 41.7° | 55.0° |
| N1 | CA1 | CB1 | HB12 | 78.4° | 175.0° |
| HN11 | N1 | CA1 | C1 | 180.0° | 60.0° |
| HN11 | N1 | CA1 | CB1 | 51.0° | 60.0° |
| HN11 | N1 | CA1 | HA1 | 63.3° | 180.0° |
| HN12 | N1 | CA1 | C1 | 60.0° | 176.1° |
| HN12 | N1 | CA1 | CB1 | 171.0° | 63.9° |
| HN12 | N1 | CA1 | HA1 | 56.7° | 56.1° |
| C1 | CA1 | CB1 | HA1 | 117.4° | 120.0° |
| CA1 | C1 | O11 | O12 | 179.5° | 180.0° |
| CA1 | C1 | O12 | HO2 | 179.7° | 180.0° |
| C1 | CA1 | CB1 | CG1 | 70.2° | 175.0° |
| C1 | CA1 | CB1 | HB11 | 169.8° | 65.0° |
| C1 | CA1 | CB1 | HB12 | 49.8° | 55.0° |
| CB1 | CA1 | C1 | O11 | 82.1° | 100.0° |
| CB1 | CA1 | C1 | O12 | 98.3° | 80.0° |
| CA1 | CB1 | CG1 | HB11 | 120.0° | 120.0° |
| CA1 | CB1 | CG1 | HB12 | 120.0° | 120.0° |
| CA1 | CB1 | HB11 | HB12 | 120.1° | 120.1° |
| CA1 | CB1 | CG1 | CD1 | 178.8° | 180.0° |
| CA1 | CB1 | CG1 | HG11 | 61.4° | 60.0° |
| CA1 | CB1 | CG1 | HG12 | 58.9° | 60.0° |
| HA1 | CA1 | C1 | O11 | 35.2° | 139.9° |
| HA1 | CA1 | C1 | O12 | 144.4° | 40.0° |
| HA1 | CA1 | CB1 | CG1 | 47.3° | 55.0° |
| HA1 | CA1 | CB1 | HB11 | 72.7° | 174.9° |
| HA1 | CA1 | CB1 | HB12 | 167.2° | 65.0° |
| O11 | C1 | O12 | HO2 | 0.0° | 0.0° |
| CG1 | CB1 | HB11 | HB12 | 120.0° | 120.0° |
| CB1 | CG1 | CD1 | HG11 | 119.8° | 120.0° |
| CB1 | CG1 | CD1 | HG12 | 119.8° | 120.0° |
| CB1 | CG1 | HG11 | HG12 | 120.6° | 119.9° |
| CB1 | CG1 | CD1 | OE1 | 4.7° | 0.0° |
| CB1 | CG1 | CD1 | N2 | 174.7° | 180.0° |
| HB11 | CB1 | CG1 | CD1 | 58.8° | 60.0° |
| HB11 | CB1 | CG1 | HG11 | 178.6° | 180.0° |
| HB11 | CB1 | CG1 | HG12 | 61.1° | 60.0° |
| HB12 | CB1 | CG1 | CD1 | 61.3° | 60.0° |
| HB12 | CB1 | CG1 | HG11 | 58.5° | 60.0° |
| HB12 | CB1 | CG1 | HG12 | 178.9° | 180.0° |
| CD1 | CG1 | HG11 | HG12 | 120.6° | 120.0° |
| CG1 | CD1 | OE1 | N2 | 179.4° | 179.9° |
| CG1 | CD1 | N2 | CA2 | 179.3° | 180.0° |
| CG1 | CD1 | N2 | HN2 | 0.7° | 0.0° |
| HG11 | CG1 | CD1 | OE1 | 115.1° | 120.0° |
| HG11 | CG1 | CD1 | N2 | 65.4° | 59.9° |
| HG12 | CG1 | CD1 | OE1 | 124.6° | 120.0° |
| HG12 | CG1 | CD1 | N2 | 54.9° | 60.1° |
| OE1 | CD1 | N2 | CA2 | 0.1° | 0.1° |
| OE1 | CD1 | N2 | HN2 | 179.9° | 179.9° |
| CD1 | N2 | CA2 | HN2 | 180.0° | 180.0° |
| CD1 | N2 | CA2 | C2 | 145.0° | 85.0° |
| CD1 | N2 | CA2 | CB2 | 89.5° | 155.0° |
| CD1 | N2 | CA2 | HA2 | 28.1° | 35.1° |
| N2 | CA2 | C2 | CB2 | 124.3° | 120.0° |
| N2 | CA2 | C2 | HA2 | 117.5° | 120.0° |
| N2 | CA2 | CB2 | HA2 | 118.4° | 120.0° |
| N2 | CA2 | C2 | O2 | 32.2° | 0.0° |
| N2 | CA2 | C2 | N3 | 147.7° | 180.0° |
| N2 | CA2 | CB2 | SG2 | 160.1° | 60.0° |
| N2 | CA2 | CB2 | HB21 | 40.0° | 60.0° |
| N2 | CA2 | CB2 | HB22 | 79.8° | 180.0° |
| HN2 | N2 | CA2 | C2 | 35.0° | 95.0° |
| HN2 | N2 | CA2 | CB2 | 90.4° | 25.0° |
| HN2 | N2 | CA2 | HA2 | 151.9° | 144.9° |
| C2 | CA2 | CB2 | HA2 | 118.4° | 120.1° |
| CA2 | C2 | O2 | N3 | 179.9° | 180.0° |
| C2 | CA2 | CB2 | SG2 | 76.7° | 180.0° |
| C2 | CA2 | CB2 | HB21 | 163.2° | 59.9° |
| C2 | CA2 | CB2 | HB22 | 43.4° | 60.0° |
| CA2 | C2 | N3 | CA3 | 180.0° | 180.0° |
| CA2 | C2 | N3 | HN3 | 0.0° | 0.0° |
| CB2 | CA2 | C2 | O2 | 92.1° | 120.0° |
| CB2 | CA2 | C2 | N3 | 88.0° | 60.0° |
| CA2 | CB2 | SG2 | HB21 | 120.1° | 120.1° |
| CA2 | CB2 | SG2 | HB22 | 120.1° | 120.0° |
| CA2 | CB2 | HB21 | HB22 | 119.7° | 120.0° |
| CA2 | CB2 | SG2 | C1' | 65.6° | 180.0° |
| HA2 | CA2 | C2 | O2 | 149.7° | 120.0° |
| HA2 | CA2 | C2 | N3 | 30.2° | 60.0° |
| HA2 | CA2 | CB2 | SG2 | 41.7° | 60.0° |
| HA2 | CA2 | CB2 | HB21 | 78.4° | 180.0° |
| HA2 | CA2 | CB2 | HB22 | 161.8° | 60.0° |
| O2 | C2 | N3 | CA3 | 0.2° | 0.0° |
| O2 | C2 | N3 | HN3 | 179.9° | 180.0° |
| C2 | N3 | CA3 | HN3 | 180.0° | 179.9° |
| C2 | N3 | CA3 | C3 | 116.4° | 180.0° |
| C2 | N3 | CA3 | HA31 | 123.3° | 60.0° |
| C2 | N3 | CA3 | HA32 | 3.9° | 60.1° |
| SG2 | CB2 | HB21 | HB22 | 119.8° | 119.9° |
| CB2 | SG2 | C1' | C2' | 163.5° | 180.0° |
| CB2 | SG2 | C1' | C6' | 16.3° | 0.3° |
| HB21 | CB2 | SG2 | C1' | 54.6° | 60.0° |
| HB22 | CB2 | SG2 | C1' | 174.4° | 60.0° |
| SG2 | C1' | C2' | C6' | 179.8° | 179.7° |
| SG2 | C1' | C2' | N2' | 0.4° | 0.0° |
| SG2 | C1' | C2' | C3' | 179.4° | 180.0° |
| SG2 | C1' | C6' | C5' | 179.7° | 179.8° |
| SG2 | C1' | C6' | H6' | 0.3° | 0.1° |
| N3 | CA3 | C3 | HA31 | 120.3° | 120.1° |
| N3 | CA3 | C3 | HA32 | 120.3° | 120.0° |
| N3 | CA3 | HA31 | HA32 | 119.2° | 120.0° |
| N3 | CA3 | C3 | O31 | 18.9° | 0.0° |
| N3 | CA3 | C3 | O32 | 160.8° | 180.0° |
| HN3 | N3 | CA3 | C3 | 63.6° | 0.1° |
| HN3 | N3 | CA3 | HA31 | 56.7° | 120.0° |
| HN3 | N3 | CA3 | HA32 | 176.1° | 120.0° |
| C3 | CA3 | HA31 | HA32 | 119.2° | 119.9° |
| CA3 | C3 | O31 | O32 | 179.7° | 180.0° |
| CA3 | C3 | O32 | HO3 | 179.7° | 180.0° |
| HA31 | CA3 | C3 | O31 | 139.2° | 120.0° |
| HA31 | CA3 | C3 | O32 | 40.5° | 60.0° |
| HA32 | CA3 | C3 | O31 | 101.4° | 120.0° |
| HA32 | CA3 | C3 | O32 | 78.9° | 60.0° |
| O31 | C3 | O32 | HO3 | 0.0° | 0.0° |
| C1' | C2' | N2' | C3' | 179.8° | 180.0° |
| C1' | C2' | N2' | O21 | 10.1° | 180.0° |
| C1' | C2' | N2' | O22 | 169.2° | 0.1° |
| C1' | C2' | C3' | C4' | 0.4° | 0.1° |
| C1' | C2' | C3' | H3' | 179.6° | 180.0° |
| C2' | C1' | C6' | C5' | 0.1° | 0.5° |
| C2' | C1' | C6' | H6' | 179.9° | 179.7° |
| C6' | C1' | C2' | N2' | 179.8° | 179.7° |
| C6' | C1' | C2' | C3' | 0.4° | 0.2° |
| C1' | C6' | C5' | C4' | 0.3° | 0.5° |
| C1' | C6' | C5' | H6' | 180.0° | 179.8° |
| C1' | C6' | C5' | H5' | 179.7° | 179.7° |
| C2' | N2' | O21 | O22 | 179.2° | 179.9° |
| N2' | C2' | C3' | C4' | 179.8° | 180.0° |
| N2' | C2' | C3' | H3' | 0.2° | 0.0° |
| C3' | C2' | N2' | O21 | 169.6° | 0.0° |
| C3' | C2' | N2' | O22 | 11.1° | 179.9° |
| C2' | C3' | C4' | H3' | 180.0° | 179.9° |
| C2' | C3' | C4' | N4' | 179.6° | 180.0° |
| C2' | C3' | C4' | C5' | 0.0° | 0.1° |
| C3' | C4' | N4' | C5' | 179.6° | 179.9° |
| C3' | C4' | N4' | O41 | 0.5° | 0.0° |
| C3' | C4' | N4' | O42 | 179.8° | 180.0° |
| C3' | C4' | C5' | C6' | 0.3° | 0.2° |
| C3' | C4' | C5' | H5' | 179.7° | 180.0° |
| H3' | C3' | C4' | N4' | 0.3° | 0.1° |
| H3' | C3' | C4' | C5' | 179.9° | 180.0° |
| C4' | N4' | O41 | O42 | 179.8° | 180.0° |
| N4' | C4' | C5' | C6' | 179.3° | 179.8° |
| N4' | C4' | C5' | H5' | 0.7° | 0.0° |
| C5' | C4' | N4' | O41 | 179.9° | 180.0° |
| C5' | C4' | N4' | O42 | 0.1° | 0.1° |
| C4' | C5' | C6' | H5' | 180.0° | 179.8° |
| C4' | C5' | C6' | H6' | 179.7° | 179.7° |
| H5' | C5' | C6' | H6' | 0.3° | 0.1° |
