GTD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | CA1 | sing | 1.47Å | 1.53Å | |
| N1 | HN11 | sing | 1.01Å | 1.02Å | |
| N1 | HN12 | sing | 1.01Å | 1.02Å | |
| CA1 | C1 | sing | 1.51Å | 1.52Å | |
| CA1 | CB1 | sing | 1.53Å | 1.56Å | |
| CA1 | HA1 | sing | 1.09Å | 1.11Å | |
| C1 | O11 | doub | 1.21Å | 1.23Å | |
| C1 | O12 | sing | 1.34Å | 1.35Å | |
| O12 | HO1 | sing | 0.97Å | 0.95Å | |
| CB1 | CG1 | sing | 1.53Å | 1.52Å | |
| CB1 | HB11 | sing | 1.09Å | 1.11Å | |
| CB1 | HB12 | sing | 1.09Å | 1.12Å | |
| CG1 | CD1 | sing | 1.51Å | 1.51Å | |
| CG1 | HG11 | sing | 1.09Å | 1.12Å | |
| CG1 | HG12 | sing | 1.09Å | 1.12Å | |
| CD1 | OE1 | doub | 1.21Å | 1.28Å | |
| CD1 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | CA2 | sing | 1.46Å | 1.48Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| CA2 | C2 | sing | 1.51Å | 1.53Å | |
| CA2 | CB2 | sing | 1.53Å | 1.51Å | |
| CA2 | HA2 | sing | 1.09Å | 1.11Å | |
| C2 | O2 | doub | 1.21Å | 1.24Å | |
| C2 | N3 | sing | 1.35Å | 1.35Å | |
| CB2 | SG2 | sing | 1.81Å | 1.77Å | |
| CB2 | HB21 | sing | 1.09Å | 1.12Å | |
| CB2 | HB22 | sing | 1.09Å | 1.11Å | |
| SG2 | C1' | sing | 1.81Å | 1.78Å | |
| N3 | CA3 | sing | 1.46Å | 1.46Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| CA3 | C3 | sing | 1.51Å | 1.52Å | |
| CA3 | HA31 | sing | 1.09Å | 1.11Å | |
| CA3 | HA32 | sing | 1.09Å | 1.12Å | |
| C3 | O31 | doub | 1.21Å | 1.23Å | |
| C3 | O32 | sing | 1.34Å | 1.33Å | |
| O32 | HO3 | sing | 0.97Å | 0.95Å | |
| C1' | C2' | sing | 1.50Å | 1.51Å | |
| C1' | C6' | sing | 1.50Å | 1.51Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| C2' | N2' | sing | 1.48Å | 1.45Å | |
| C2' | C3' | doub | 1.30Å | 1.37Å | |
| N2' | O21 | doub | 1.22Å | 1.24Å | |
| N2' | O22 | sing | 1.22Å | 1.26Å | |
| C3' | C4' | sing | 1.50Å | 1.39Å | |
| C3' | H3' | sing | 1.08Å | 1.10Å | |
| C4' | N4' | sing | 1.47Å | 1.47Å | |
| C4' | C5' | sing | 1.50Å | 1.39Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| N4' | O41 | doub | 1.22Å | 1.25Å | |
| N4' | O42 | sing | 1.22Å | 1.24Å | |
| C5' | C6' | doub | 1.30Å | 1.38Å | |
| C5' | H5' | sing | 1.08Å | 1.10Å | |
| C6' | N6' | sing | 1.48Å | 1.43Å | |
| N6' | O61 | doub | 1.22Å | 1.24Å | |
| N6' | O62 | sing | 1.22Å | 1.22Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA1 | N1 | HN11 | 107.2° | 106.6° |
| CA1 | N1 | HN12 | 113.0° | 106.7° |
| N1 | CA1 | C1 | 107.2° | 109.5° |
| N1 | CA1 | CB1 | 109.1° | 109.4° |
| N1 | CA1 | HA1 | 112.5° | 109.5° |
| HN11 | N1 | HN12 | 113.1° | 106.7° |
| C1 | CA1 | CB1 | 112.9° | 109.5° |
| C1 | CA1 | HA1 | 108.6° | 109.4° |
| CA1 | C1 | O11 | 122.8° | 120.0° |
| CA1 | C1 | O12 | 117.7° | 120.0° |
| CB1 | CA1 | HA1 | 106.7° | 109.4° |
| CA1 | CB1 | CG1 | 109.6° | 109.5° |
| CA1 | CB1 | HB11 | 112.2° | 109.4° |
| CA1 | CB1 | HB12 | 112.2° | 109.5° |
| O11 | C1 | O12 | 119.4° | 120.0° |
| C1 | O12 | HO1 | 117.7° | 120.0° |
| CG1 | CB1 | HB11 | 112.2° | 109.5° |
| CG1 | CB1 | HB12 | 112.1° | 109.4° |
| CB1 | CG1 | CD1 | 113.2° | 109.5° |
| CB1 | CG1 | HG11 | 110.9° | 109.5° |
| CB1 | CG1 | HG12 | 110.9° | 109.4° |
| HB11 | CB1 | HB12 | 98.3° | 109.5° |
| CD1 | CG1 | HG11 | 110.8° | 109.5° |
| CD1 | CG1 | HG12 | 110.9° | 109.5° |
| CG1 | CD1 | OE1 | 123.7° | 120.0° |
| CG1 | CD1 | N2 | 114.5° | 120.0° |
| HG11 | CG1 | HG12 | 99.4° | 109.4° |
| OE1 | CD1 | N2 | 121.8° | 120.0° |
| CD1 | N2 | CA2 | 124.3° | 120.0° |
| CD1 | N2 | HN2 | 112.1° | 120.0° |
| CA2 | N2 | HN2 | 123.7° | 120.0° |
| N2 | CA2 | C2 | 106.2° | 109.5° |
| N2 | CA2 | CB2 | 111.2° | 109.4° |
| N2 | CA2 | HA2 | 110.8° | 109.5° |
| C2 | CA2 | CB2 | 110.4° | 109.5° |
| C2 | CA2 | HA2 | 111.6° | 109.5° |
| CA2 | C2 | O2 | 119.5° | 120.0° |
| CA2 | C2 | N3 | 116.6° | 120.0° |
| CB2 | CA2 | HA2 | 106.7° | 109.4° |
| CA2 | CB2 | SG2 | 115.0° | 109.5° |
| CA2 | CB2 | HB21 | 110.2° | 109.5° |
| CA2 | CB2 | HB22 | 110.3° | 109.5° |
| O2 | C2 | N3 | 123.9° | 120.0° |
| C2 | N3 | CA3 | 118.9° | 120.0° |
| C2 | N3 | HN3 | 116.9° | 120.0° |
| SG2 | CB2 | HB21 | 110.2° | 109.5° |
| SG2 | CB2 | HB22 | 110.2° | 109.4° |
| CB2 | SG2 | C1' | 102.9° | 100.0° |
| HB21 | CB2 | HB22 | 100.0° | 109.5° |
| SG2 | C1' | C2' | 105.0° | 109.1° |
| SG2 | C1' | C6' | 105.0° | 109.2° |
| SG2 | C1' | H1' | 114.8° | 109.2° |
| CA3 | N3 | HN3 | 124.2° | 120.0° |
| N3 | CA3 | C3 | 112.8° | 109.5° |
| N3 | CA3 | HA31 | 111.0° | 109.5° |
| N3 | CA3 | HA32 | 111.0° | 109.5° |
| C3 | CA3 | HA31 | 111.0° | 109.5° |
| C3 | CA3 | HA32 | 111.0° | 109.4° |
| CA3 | C3 | O31 | 120.9° | 120.0° |
| CA3 | C3 | O32 | 117.9° | 120.0° |
| HA31 | CA3 | HA32 | 99.3° | 109.4° |
| O31 | C3 | O32 | 121.2° | 120.0° |
| C3 | O32 | HO3 | 117.9° | 120.0° |
| C2' | C1' | C6' | 108.6° | 111.2° |
| C2' | C1' | H1' | 111.5° | 109.0° |
| C1' | C2' | N2' | 122.0° | 118.6° |
| C1' | C2' | C3' | 124.9° | 122.9° |
| C6' | C1' | H1' | 111.5° | 109.1° |
| C1' | C6' | C5' | 123.6° | 122.8° |
| C1' | C6' | N6' | 111.2° | 118.6° |
| N2' | C2' | C3' | 113.1° | 118.5° |
| C2' | N2' | O21 | 117.5° | 120.0° |
| C2' | N2' | O22 | 116.3° | 120.0° |
| C2' | C3' | C4' | 117.8° | 122.8° |
| C2' | C3' | H3' | 120.5° | 118.6° |
| O21 | N2' | O22 | 126.1° | 120.0° |
| C4' | C3' | H3' | 121.7° | 118.6° |
| C3' | C4' | N4' | 117.5° | 109.1° |
| C3' | C4' | C5' | 123.5° | 111.2° |
| C3' | C4' | H4' | 82.8° | 109.1° |
| N4' | C4' | C5' | 118.8° | 109.1° |
| N4' | C4' | H4' | 122.5° | 109.1° |
| C4' | N4' | O41 | 119.6° | 120.0° |
| C4' | N4' | O42 | 122.7° | 120.0° |
| C5' | C4' | H4' | 72.2° | 109.1° |
| C4' | C5' | C6' | 118.8° | 122.8° |
| C4' | C5' | H5' | 120.8° | 118.6° |
| O41 | N4' | O42 | 117.6° | 120.1° |
| C6' | C5' | H5' | 120.3° | 118.6° |
| C5' | C6' | N6' | 124.9° | 118.6° |
| C6' | N6' | O61 | 116.1° | 120.0° |
| C6' | N6' | O62 | 121.7° | 120.0° |
| O61 | N6' | O62 | 122.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA1 | N1 | HN11 | HN12 | 125.2° | 113.7° |
| N1 | CA1 | C1 | CB1 | 120.2° | 120.0° |
| N1 | CA1 | C1 | HA1 | 121.7° | 120.1° |
| N1 | CA1 | CB1 | HA1 | 121.7° | 120.0° |
| N1 | CA1 | C1 | O11 | 156.3° | 20.0° |
| N1 | CA1 | C1 | O12 | 21.7° | 160.1° |
| N1 | CA1 | CB1 | CG1 | 169.2° | 65.0° |
| N1 | CA1 | CB1 | HB11 | 44.0° | 55.0° |
| N1 | CA1 | CB1 | HB12 | 65.6° | 175.0° |
| HN11 | N1 | CA1 | C1 | 180.0° | 53.8° |
| HN11 | N1 | CA1 | CB1 | 57.5° | 173.8° |
| HN11 | N1 | CA1 | HA1 | 60.7° | 66.3° |
| HN12 | N1 | CA1 | C1 | 54.7° | 60.0° |
| HN12 | N1 | CA1 | CB1 | 67.8° | 60.0° |
| HN12 | N1 | CA1 | HA1 | 174.0° | 180.0° |
| C1 | CA1 | CB1 | HA1 | 119.2° | 119.9° |
| CA1 | C1 | O11 | O12 | 178.0° | 179.9° |
| CA1 | C1 | O12 | HO1 | 180.0° | 180.0° |
| C1 | CA1 | CB1 | CG1 | 71.7° | 175.0° |
| C1 | CA1 | CB1 | HB11 | 163.0° | 65.0° |
| C1 | CA1 | CB1 | HB12 | 53.5° | 55.0° |
| CB1 | CA1 | C1 | O11 | 83.5° | 100.0° |
| CB1 | CA1 | C1 | O12 | 98.5° | 79.9° |
| CA1 | CB1 | CG1 | HB11 | 125.3° | 120.0° |
| CA1 | CB1 | CG1 | HB12 | 125.2° | 120.0° |
| CA1 | CB1 | HB11 | HB12 | 118.1° | 120.0° |
| CA1 | CB1 | CG1 | CD1 | 165.3° | 180.0° |
| CA1 | CB1 | CG1 | HG11 | 69.4° | 60.0° |
| CA1 | CB1 | CG1 | HG12 | 40.0° | 60.0° |
| HA1 | CA1 | C1 | O11 | 34.5° | 140.1° |
| HA1 | CA1 | C1 | O12 | 143.5° | 40.0° |
| HA1 | CA1 | CB1 | CG1 | 47.5° | 55.0° |
| HA1 | CA1 | CB1 | HB11 | 77.8° | 175.0° |
| HA1 | CA1 | CB1 | HB12 | 172.7° | 64.9° |
| O11 | C1 | O12 | HO1 | 2.0° | 0.1° |
| CG1 | CB1 | HB11 | HB12 | 118.1° | 120.0° |
| CB1 | CG1 | CD1 | HG11 | 125.3° | 120.0° |
| CB1 | CG1 | CD1 | HG12 | 125.3° | 120.0° |
| CB1 | CG1 | HG11 | HG12 | 116.7° | 119.9° |
| CB1 | CG1 | CD1 | OE1 | 23.6° | 0.0° |
| CB1 | CG1 | CD1 | N2 | 157.2° | 180.0° |
| HB11 | CB1 | CG1 | CD1 | 40.1° | 60.0° |
| HB11 | CB1 | CG1 | HG11 | 165.4° | 179.9° |
| HB11 | CB1 | CG1 | HG12 | 85.2° | 60.0° |
| HB12 | CB1 | CG1 | CD1 | 69.4° | 60.0° |
| HB12 | CB1 | CG1 | HG11 | 55.8° | 60.0° |
| HB12 | CB1 | CG1 | HG12 | 165.3° | 179.9° |
| CD1 | CG1 | HG11 | HG12 | 116.7° | 120.0° |
| CG1 | CD1 | OE1 | N2 | 179.1° | 180.0° |
| CG1 | CD1 | N2 | CA2 | 163.1° | 179.9° |
| CG1 | CD1 | N2 | HN2 | 16.9° | 0.0° |
| HG11 | CG1 | CD1 | OE1 | 148.9° | 120.0° |
| HG11 | CG1 | CD1 | N2 | 31.9° | 60.0° |
| HG12 | CG1 | CD1 | OE1 | 101.7° | 120.0° |
| HG12 | CG1 | CD1 | N2 | 77.5° | 60.0° |
| OE1 | CD1 | N2 | CA2 | 17.7° | 0.1° |
| OE1 | CD1 | N2 | HN2 | 162.3° | 180.0° |
| CD1 | N2 | CA2 | HN2 | 180.0° | 179.9° |
| CD1 | N2 | CA2 | C2 | 129.1° | 85.0° |
| CD1 | N2 | CA2 | CB2 | 110.8° | 155.0° |
| CD1 | N2 | CA2 | HA2 | 7.7° | 35.1° |
| N2 | CA2 | C2 | CB2 | 120.7° | 120.0° |
| N2 | CA2 | C2 | HA2 | 120.9° | 120.0° |
| N2 | CA2 | CB2 | HA2 | 120.9° | 120.0° |
| N2 | CA2 | C2 | O2 | 163.3° | 0.0° |
| N2 | CA2 | C2 | N3 | 17.9° | 180.0° |
| N2 | CA2 | CB2 | SG2 | 56.2° | 60.0° |
| N2 | CA2 | CB2 | HB21 | 69.0° | 60.0° |
| N2 | CA2 | CB2 | HB22 | 178.5° | 179.9° |
| HN2 | N2 | CA2 | C2 | 50.9° | 95.0° |
| HN2 | N2 | CA2 | CB2 | 69.2° | 25.1° |
| HN2 | N2 | CA2 | HA2 | 172.3° | 145.0° |
| C2 | CA2 | CB2 | HA2 | 121.4° | 120.0° |
| CA2 | C2 | O2 | N3 | 178.8° | 180.0° |
| C2 | CA2 | CB2 | SG2 | 173.9° | 180.0° |
| C2 | CA2 | CB2 | HB21 | 48.6° | 60.0° |
| C2 | CA2 | CB2 | HB22 | 60.9° | 60.0° |
| CA2 | C2 | N3 | CA3 | 178.6° | 180.0° |
| CA2 | C2 | N3 | HN3 | 1.3° | 0.0° |
| CB2 | CA2 | C2 | O2 | 42.6° | 120.0° |
| CB2 | CA2 | C2 | N3 | 138.5° | 60.0° |
| CA2 | CB2 | SG2 | HB21 | 125.3° | 120.0° |
| CA2 | CB2 | SG2 | HB22 | 125.3° | 120.0° |
| CA2 | CB2 | HB21 | HB22 | 116.1° | 120.0° |
| CA2 | CB2 | SG2 | C1' | 94.2° | 180.0° |
| HA2 | CA2 | C2 | O2 | 75.8° | 120.0° |
| HA2 | CA2 | C2 | N3 | 103.0° | 60.0° |
| HA2 | CA2 | CB2 | SG2 | 64.7° | 60.0° |
| HA2 | CA2 | CB2 | HB21 | 170.0° | 180.0° |
| HA2 | CA2 | CB2 | HB22 | 60.6° | 60.0° |
| O2 | C2 | N3 | CA3 | 2.6° | 0.0° |
| O2 | C2 | N3 | HN3 | 177.5° | 180.0° |
| C2 | N3 | CA3 | HN3 | 180.0° | 180.0° |
| C2 | N3 | CA3 | C3 | 112.6° | 180.0° |
| C2 | N3 | CA3 | HA31 | 12.7° | 60.0° |
| C2 | N3 | CA3 | HA32 | 122.1° | 60.0° |
| SG2 | CB2 | HB21 | HB22 | 116.0° | 120.0° |
| CB2 | SG2 | C1' | C2' | 105.9° | 63.3° |
| CB2 | SG2 | C1' | C6' | 139.6° | 175.0° |
| CB2 | SG2 | C1' | H1' | 16.8° | 55.8° |
| HB21 | CB2 | SG2 | C1' | 140.5° | 60.0° |
| HB22 | CB2 | SG2 | C1' | 31.1° | 60.0° |
| SG2 | C1' | C2' | C6' | 111.9° | 120.5° |
| SG2 | C1' | C2' | H1' | 124.8° | 119.2° |
| SG2 | C1' | C6' | H1' | 124.9° | 119.2° |
| SG2 | C1' | C2' | N2' | 84.8° | 79.1° |
| SG2 | C1' | C2' | C3' | 92.6° | 100.9° |
| SG2 | C1' | C6' | C5' | 95.0° | 100.9° |
| SG2 | C1' | C6' | N6' | 90.5° | 79.1° |
| N3 | CA3 | C3 | HA31 | 125.3° | 120.1° |
| N3 | CA3 | C3 | HA32 | 125.3° | 120.0° |
| N3 | CA3 | HA31 | HA32 | 116.8° | 120.0° |
| N3 | CA3 | C3 | O31 | 13.9° | 0.1° |
| N3 | CA3 | C3 | O32 | 168.2° | 180.0° |
| HN3 | N3 | CA3 | C3 | 67.5° | 0.1° |
| HN3 | N3 | CA3 | HA31 | 167.2° | 120.0° |
| HN3 | N3 | CA3 | HA32 | 57.8° | 120.0° |
| C3 | CA3 | HA31 | HA32 | 116.9° | 120.0° |
| CA3 | C3 | O31 | O32 | 177.8° | 179.9° |
| CA3 | C3 | O32 | HO3 | 180.0° | 180.0° |
| HA31 | CA3 | C3 | O31 | 111.4° | 120.0° |
| HA31 | CA3 | C3 | O32 | 66.5° | 60.0° |
| HA32 | CA3 | C3 | O31 | 139.2° | 120.1° |
| HA32 | CA3 | C3 | O32 | 43.0° | 60.0° |
| O31 | C3 | O32 | HO3 | 2.2° | 0.0° |
| C2' | C1' | C6' | H1' | 123.2° | 120.3° |
| C1' | C2' | N2' | C3' | 177.7° | 179.9° |
| C1' | C2' | N2' | O21 | 37.7° | 0.0° |
| C1' | C2' | N2' | O22 | 147.1° | 180.0° |
| C1' | C2' | C3' | C4' | 12.2° | 0.1° |
| C1' | C2' | C3' | H3' | 167.8° | 180.0° |
| C2' | C1' | C6' | C5' | 16.9° | 19.5° |
| C2' | C1' | C6' | N6' | 157.5° | 160.4° |
| C6' | C1' | C2' | N2' | 163.2° | 160.5° |
| C6' | C1' | C2' | C3' | 19.3° | 19.6° |
| C1' | C6' | C5' | C4' | 8.0° | 0.0° |
| C1' | C6' | C5' | N6' | 173.7° | 180.0° |
| C1' | C6' | C5' | H5' | 172.0° | 180.0° |
| C1' | C6' | N6' | O61 | 146.9° | 0.0° |
| C1' | C6' | N6' | O62 | 33.3° | 180.0° |
| H1' | C1' | C2' | N2' | 40.0° | 40.1° |
| H1' | C1' | C2' | C3' | 142.5° | 140.0° |
| H1' | C1' | C6' | C5' | 140.1° | 139.9° |
| H1' | C1' | C6' | N6' | 34.3° | 40.1° |
| C2' | N2' | O21 | O22 | 174.6° | 180.0° |
| N2' | C2' | C3' | C4' | 170.2° | 180.0° |
| N2' | C2' | C3' | H3' | 9.9° | 0.1° |
| C3' | C2' | N2' | O21 | 140.0° | 179.9° |
| C3' | C2' | N2' | O22 | 35.2° | 0.0° |
| C2' | C3' | C4' | H3' | 180.0° | 179.9° |
| C2' | C3' | C4' | N4' | 174.1° | 139.9° |
| C2' | C3' | C4' | C5' | 0.1° | 19.5° |
| C2' | C3' | C4' | H4' | 62.9° | 101.0° |
| C3' | C4' | N4' | C5' | 174.2° | 121.7° |
| C3' | C4' | N4' | H4' | 99.5° | 119.1° |
| C3' | C4' | C5' | H4' | 68.3° | 120.4° |
| C3' | C4' | N4' | O41 | 15.9° | 61.7° |
| C3' | C4' | N4' | O42 | 166.4° | 118.2° |
| C3' | C4' | C5' | C6' | 1.8° | 19.5° |
| C3' | C4' | C5' | H5' | 178.2° | 160.5° |
| H3' | C3' | C4' | N4' | 5.9° | 40.0° |
| H3' | C3' | C4' | C5' | 179.8° | 160.4° |
| H3' | C3' | C4' | H4' | 117.2° | 79.1° |
| N4' | C4' | C5' | H4' | 117.9° | 119.1° |
| C4' | N4' | O41 | O42 | 177.8° | 179.9° |
| N4' | C4' | C5' | C6' | 172.1° | 140.0° |
| N4' | C4' | C5' | H5' | 7.9° | 40.0° |
| C5' | C4' | N4' | O41 | 169.9° | 60.1° |
| C5' | C4' | N4' | O42 | 7.8° | 120.0° |
| C4' | C5' | C6' | H5' | 180.0° | 180.0° |
| C4' | C5' | C6' | N6' | 165.8° | 180.0° |
| H4' | C4' | N4' | O41 | 83.6° | 179.2° |
| H4' | C4' | N4' | O42 | 94.1° | 0.9° |
| H4' | C4' | C5' | C6' | 70.1° | 100.9° |
| H4' | C4' | C5' | H5' | 110.0° | 79.1° |
| C5' | C6' | N6' | O61 | 38.7° | 180.0° |
| C5' | C6' | N6' | O62 | 141.1° | 0.1° |
| H5' | C5' | C6' | N6' | 14.3° | 0.0° |
| C6' | N6' | O61 | O62 | 179.8° | 179.9° |
