GTB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | CA1 | sing | 1.47Å | 1.47Å | |
| N1 | HN11 | sing | 1.01Å | 1.00Å | |
| N1 | HN12 | sing | 1.01Å | 1.00Å | |
| CA1 | C1 | sing | 1.51Å | 1.46Å | |
| CA1 | CB1 | sing | 1.53Å | 1.56Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| C1 | O11 | doub | 1.21Å | 1.22Å | |
| C1 | O12 | sing | 1.34Å | 1.23Å | |
| CB1 | CG1 | sing | 1.53Å | 1.55Å | |
| CB1 | HB11 | sing | 1.09Å | 1.10Å | |
| CB1 | HB12 | sing | 1.09Å | 1.10Å | |
| CG1 | CD1 | sing | 1.51Å | 1.46Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CD1 | OE1 | doub | 1.21Å | 1.23Å | |
| CD1 | N2 | sing | 1.35Å | 1.31Å | |
| N2 | CA2 | sing | 1.46Å | 1.41Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| CA2 | C2 | sing | 1.51Å | 1.47Å | |
| CA2 | CB2 | sing | 1.53Å | 1.56Å | |
| CA2 | HA2 | sing | 1.09Å | 1.10Å | |
| C2 | O2 | doub | 1.21Å | 1.22Å | |
| C2 | N3 | sing | 1.35Å | 1.29Å | |
| CB2 | SG2 | sing | 1.81Å | 1.82Å | |
| CB2 | HB21 | sing | 1.09Å | 1.10Å | |
| CB2 | HB22 | sing | 1.09Å | 1.10Å | |
| SG2 | C' | sing | 1.81Å | 1.82Å | |
| N3 | CA3 | sing | 1.47Å | 1.40Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| CA3 | C3 | sing | 1.51Å | 1.45Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| C3 | O31 | doub | 1.21Å | 1.22Å | |
| C3 | O32 | sing | 1.34Å | 1.23Å | |
| C' | C1' | sing | 1.51Å | 1.49Å | |
| C' | H'1 | sing | 1.09Å | 1.10Å | |
| C' | H'2 | sing | 1.09Å | 1.10Å | |
| C1' | C2' | doub | 1.38Å | 1.41Å | Aromatic |
| C1' | C6' | sing | 1.38Å | 1.41Å | Aromatic |
| C2' | C3' | sing | 1.38Å | 1.41Å | Aromatic |
| C2' | H2' | sing | 1.08Å | 1.08Å | |
| C3' | C4' | doub | 1.38Å | 1.42Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.08Å | |
| C4' | N41 | sing | 1.48Å | 1.35Å | |
| C4' | C5' | sing | 1.38Å | 1.42Å | Aromatic |
| N41 | O41 | sing | 1.22Å | 1.17Å | |
| N41 | O42 | doub | 1.22Å | 1.17Å | |
| C5' | C6' | doub | 1.38Å | 1.41Å | Aromatic |
| C5' | H5' | sing | 1.08Å | 1.08Å | |
| C6' | H6' | sing | 1.08Å | 1.08Å | |
| O12 | HO1 | sing | 0.97Å | 0.95Å | |
| O32 | HO3 | sing | 0.97Å | 0.95Å |
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 | 107.8° | 109.5° |
| N1 | CA1 | CB1 | 110.9° | 109.5° |
| N1 | CA1 | HA1 | 111.7° | 109.5° |
| HN11 | N1 | HN12 | 109.5° | 111.0° |
| C1 | CA1 | CB1 | 114.9° | 109.5° |
| C1 | CA1 | HA1 | 107.4° | 109.4° |
| CA1 | C1 | O11 | 122.6° | 120.0° |
| CA1 | C1 | O12 | 119.9° | 120.0° |
| CB1 | CA1 | HA1 | 104.1° | 109.5° |
| CA1 | CB1 | CG1 | 114.0° | 109.5° |
| CA1 | CB1 | HB11 | 108.0° | 109.5° |
| CA1 | CB1 | HB12 | 108.0° | 109.5° |
| O11 | C1 | O12 | 117.5° | 120.0° |
| C1 | O12 | HO1 | 109.5° | 117.0° |
| CG1 | CB1 | HB11 | 108.0° | 109.4° |
| CG1 | CB1 | HB12 | 108.0° | 109.5° |
| CB1 | CG1 | CD1 | 113.7° | 109.5° |
| CB1 | CG1 | HG11 | 108.1° | 109.5° |
| CB1 | CG1 | HG12 | 108.1° | 109.5° |
| HB11 | CB1 | HB12 | 110.9° | 109.5° |
| CD1 | CG1 | HG11 | 108.1° | 109.5° |
| CD1 | CG1 | HG12 | 108.1° | 109.5° |
| CG1 | CD1 | OE1 | 118.6° | 120.0° |
| CG1 | CD1 | N2 | 119.5° | 120.0° |
| HG11 | CG1 | HG12 | 110.8° | 109.4° |
| OE1 | CD1 | N2 | 121.9° | 120.0° |
| CD1 | N2 | CA2 | 128.8° | 120.0° |
| CD1 | N2 | HN2 | 115.5° | 120.0° |
| CA2 | N2 | HN2 | 115.6° | 120.0° |
| N2 | CA2 | C2 | 114.5° | 109.5° |
| N2 | CA2 | CB2 | 113.2° | 109.5° |
| N2 | CA2 | HA2 | 104.0° | 109.5° |
| C2 | CA2 | CB2 | 112.3° | 109.5° |
| C2 | CA2 | HA2 | 105.0° | 109.4° |
| CA2 | C2 | O2 | 119.6° | 120.0° |
| CA2 | C2 | N3 | 124.1° | 120.0° |
| CB2 | CA2 | HA2 | 106.7° | 109.5° |
| CA2 | CB2 | SG2 | 111.8° | 109.5° |
| CA2 | CB2 | HB21 | 108.7° | 109.5° |
| CA2 | CB2 | HB22 | 108.7° | 109.5° |
| O2 | C2 | N3 | 116.3° | 120.0° |
| C2 | N3 | CA3 | 123.9° | 120.0° |
| C2 | N3 | HN3 | 118.0° | 120.0° |
| SG2 | CB2 | HB21 | 108.7° | 109.4° |
| SG2 | CB2 | HB22 | 108.7° | 109.5° |
| CB2 | SG2 | C' | 104.8° | 103.0° |
| HB21 | CB2 | HB22 | 110.2° | 109.5° |
| SG2 | C' | C1' | 108.4° | 109.5° |
| SG2 | C' | H'1 | 109.8° | 109.4° |
| SG2 | C' | H'2 | 109.9° | 109.5° |
| CA3 | N3 | HN3 | 118.1° | 120.0° |
| N3 | CA3 | C3 | 110.3° | 109.4° |
| N3 | CA3 | HA31 | 109.2° | 109.5° |
| N3 | CA3 | HA32 | 109.2° | 109.5° |
| C3 | CA3 | HA31 | 109.2° | 109.4° |
| C3 | CA3 | HA32 | 109.2° | 109.5° |
| CA3 | C3 | O31 | 120.9° | 120.0° |
| CA3 | C3 | O32 | 120.7° | 120.0° |
| HA31 | CA3 | HA32 | 109.7° | 109.5° |
| O31 | C3 | O32 | 118.4° | 120.0° |
| C3 | O32 | HO3 | 109.5° | 117.0° |
| C1' | C' | H'1 | 109.8° | 109.5° |
| C1' | C' | H'2 | 109.8° | 109.5° |
| C' | C1' | C2' | 121.1° | 120.0° |
| C' | C1' | C6' | 120.7° | 120.0° |
| H'1 | C' | H'2 | 109.1° | 109.5° |
| C2' | C1' | C6' | 118.2° | 120.0° |
| C1' | C2' | C3' | 120.8° | 120.0° |
| C1' | C2' | H2' | 119.6° | 120.0° |
| C1' | C6' | C5' | 120.9° | 120.0° |
| C1' | C6' | H6' | 119.6° | 120.0° |
| C3' | C2' | H2' | 119.6° | 120.0° |
| C2' | C3' | C4' | 121.6° | 120.0° |
| C2' | C3' | H3' | 119.2° | 120.0° |
| C4' | C3' | H3' | 119.2° | 120.0° |
| C3' | C4' | N41 | 121.5° | 120.0° |
| C3' | C4' | C5' | 117.0° | 120.0° |
| N41 | C4' | C5' | 121.5° | 119.9° |
| C4' | N41 | O41 | 122.8° | 120.0° |
| C4' | N41 | O42 | 123.0° | 120.1° |
| C4' | C5' | C6' | 121.6° | 119.9° |
| C4' | C5' | H5' | 119.2° | 120.0° |
| O41 | N41 | O42 | 114.2° | 120.0° |
| C6' | C5' | H5' | 119.2° | 120.1° |
| C5' | C6' | H6' | 119.6° | 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 | 124.3° | 120.0° |
| N1 | CA1 | C1 | HA1 | 120.5° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 120.2° | 120.0° |
| N1 | CA1 | C1 | O11 | 118.8° | 20.0° |
| N1 | CA1 | C1 | O12 | 61.5° | 160.0° |
| N1 | CA1 | CB1 | CG1 | 59.5° | 65.0° |
| N1 | CA1 | CB1 | HB11 | 60.5° | 55.0° |
| N1 | CA1 | CB1 | HB12 | 179.5° | 175.0° |
| HN11 | N1 | CA1 | C1 | 180.0° | 63.9° |
| HN11 | N1 | CA1 | CB1 | 53.3° | 176.1° |
| HN11 | N1 | CA1 | HA1 | 62.3° | 56.1° |
| HN12 | N1 | CA1 | C1 | 60.0° | 60.0° |
| HN12 | N1 | CA1 | CB1 | 173.3° | 60.0° |
| HN12 | N1 | CA1 | HA1 | 57.7° | 180.0° |
| C1 | CA1 | CB1 | HA1 | 117.1° | 120.0° |
| CA1 | C1 | O11 | O12 | 179.7° | 180.0° |
| C1 | CA1 | CB1 | CG1 | 177.8° | 175.0° |
| C1 | CA1 | CB1 | HB11 | 62.2° | 65.0° |
| C1 | CA1 | CB1 | HB12 | 57.9° | 55.0° |
| CA1 | C1 | O12 | HO1 | 179.7° | 180.0° |
| CB1 | CA1 | C1 | O11 | 5.5° | 100.0° |
| CB1 | CA1 | C1 | O12 | 174.2° | 80.0° |
| CA1 | CB1 | CG1 | HB11 | 120.0° | 120.0° |
| CA1 | CB1 | CG1 | HB12 | 120.0° | 120.0° |
| CA1 | CB1 | HB11 | HB12 | 118.2° | 120.0° |
| CA1 | CB1 | CG1 | CD1 | 175.5° | 180.0° |
| CA1 | CB1 | CG1 | HG11 | 55.4° | 60.0° |
| CA1 | CB1 | CG1 | HG12 | 64.5° | 60.0° |
| HA1 | CA1 | C1 | O11 | 120.8° | 140.0° |
| HA1 | CA1 | C1 | O12 | 58.9° | 40.0° |
| HA1 | CA1 | CB1 | CG1 | 60.7° | 55.0° |
| HA1 | CA1 | CB1 | HB11 | 179.3° | 175.0° |
| HA1 | CA1 | CB1 | HB12 | 59.3° | 65.0° |
| O11 | C1 | O12 | HO1 | 0.0° | 0.0° |
| CG1 | CB1 | HB11 | HB12 | 118.1° | 120.0° |
| CB1 | CG1 | CD1 | HG11 | 120.0° | 120.0° |
| CB1 | CG1 | CD1 | HG12 | 120.0° | 120.0° |
| CB1 | CG1 | HG11 | HG12 | 118.2° | 120.0° |
| CB1 | CG1 | CD1 | OE1 | 121.0° | 0.0° |
| CB1 | CG1 | CD1 | N2 | 61.2° | 180.0° |
| HB11 | CB1 | CG1 | CD1 | 64.5° | 60.0° |
| HB11 | CB1 | CG1 | HG11 | 175.4° | 180.0° |
| HB11 | CB1 | CG1 | HG12 | 55.5° | 60.0° |
| HB12 | CB1 | CG1 | CD1 | 55.5° | 60.0° |
| HB12 | CB1 | CG1 | HG11 | 64.5° | 60.0° |
| HB12 | CB1 | CG1 | HG12 | 175.5° | 180.0° |
| CD1 | CG1 | HG11 | HG12 | 118.3° | 120.0° |
| CG1 | CD1 | OE1 | N2 | 177.8° | 180.0° |
| CG1 | CD1 | N2 | CA2 | 163.9° | 180.0° |
| CG1 | CD1 | N2 | HN2 | 16.1° | 0.0° |
| HG11 | CG1 | CD1 | OE1 | 1.0° | 120.0° |
| HG11 | CG1 | CD1 | N2 | 178.8° | 60.0° |
| HG12 | CG1 | CD1 | OE1 | 119.0° | 120.1° |
| HG12 | CG1 | CD1 | N2 | 58.8° | 60.0° |
| OE1 | CD1 | N2 | CA2 | 13.8° | 0.0° |
| OE1 | CD1 | N2 | HN2 | 166.1° | 180.0° |
| CD1 | N2 | CA2 | HN2 | 180.0° | 180.0° |
| CD1 | N2 | CA2 | C2 | 66.3° | 85.0° |
| CD1 | N2 | CA2 | CB2 | 64.3° | 155.0° |
| CD1 | N2 | CA2 | HA2 | 179.6° | 35.0° |
| N2 | CA2 | C2 | CB2 | 131.0° | 120.0° |
| N2 | CA2 | C2 | HA2 | 113.5° | 120.0° |
| N2 | CA2 | CB2 | HA2 | 113.8° | 120.0° |
| N2 | CA2 | C2 | O2 | 170.1° | 0.0° |
| N2 | CA2 | C2 | N3 | 10.3° | 180.0° |
| N2 | CA2 | CB2 | SG2 | 51.5° | 60.0° |
| N2 | CA2 | CB2 | HB21 | 68.5° | 60.0° |
| N2 | CA2 | CB2 | HB22 | 171.5° | 180.0° |
| HN2 | N2 | CA2 | C2 | 113.7° | 95.0° |
| HN2 | N2 | CA2 | CB2 | 115.7° | 25.0° |
| HN2 | N2 | CA2 | HA2 | 0.4° | 145.0° |
| C2 | CA2 | CB2 | HA2 | 114.6° | 120.0° |
| CA2 | C2 | O2 | N3 | 179.7° | 180.0° |
| C2 | CA2 | CB2 | SG2 | 176.8° | 180.0° |
| C2 | CA2 | CB2 | HB21 | 63.1° | 60.0° |
| C2 | CA2 | CB2 | HB22 | 56.8° | 60.0° |
| CA2 | C2 | N3 | CA3 | 83.3° | 180.0° |
| CA2 | C2 | N3 | HN3 | 96.7° | 0.0° |
| CB2 | CA2 | C2 | O2 | 59.0° | 120.0° |
| CB2 | CA2 | C2 | N3 | 120.7° | 60.0° |
| CA2 | CB2 | SG2 | HB21 | 120.0° | 119.9° |
| CA2 | CB2 | SG2 | HB22 | 120.0° | 120.0° |
| CA2 | CB2 | HB21 | HB22 | 119.0° | 120.1° |
| CA2 | CB2 | SG2 | C' | 155.8° | 180.0° |
| HA2 | CA2 | C2 | O2 | 56.6° | 120.0° |
| HA2 | CA2 | C2 | N3 | 123.8° | 60.0° |
| HA2 | CA2 | CB2 | SG2 | 62.3° | 60.1° |
| HA2 | CA2 | CB2 | HB21 | 177.7° | NaN° |
| HA2 | CA2 | CB2 | HB22 | 57.7° | 59.9° |
| O2 | C2 | N3 | CA3 | 97.0° | 0.0° |
| O2 | C2 | N3 | HN3 | 83.0° | 179.9° |
| C2 | N3 | CA3 | HN3 | 180.0° | 179.9° |
| C2 | N3 | CA3 | C3 | 168.0° | 180.0° |
| C2 | N3 | CA3 | HA31 | 48.0° | 60.0° |
| C2 | N3 | CA3 | HA32 | 72.0° | 60.0° |
| SG2 | CB2 | HB21 | HB22 | 119.1° | 120.0° |
| CB2 | SG2 | C' | C1' | 179.4° | 180.0° |
| CB2 | SG2 | C' | H'1 | 59.4° | 60.0° |
| CB2 | SG2 | C' | H'2 | 60.6° | 60.0° |
| HB21 | CB2 | SG2 | C' | 35.8° | 60.0° |
| HB22 | CB2 | SG2 | C' | 84.2° | 60.0° |
| SG2 | C' | C1' | H'1 | 120.0° | 120.0° |
| SG2 | C' | C1' | H'2 | 120.0° | 120.0° |
| SG2 | C' | H'1 | H'2 | 120.4° | 120.0° |
| SG2 | C' | C1' | C2' | 96.9° | 90.0° |
| SG2 | C' | C1' | C6' | 81.1° | 90.3° |
| N3 | CA3 | C3 | HA31 | 120.0° | 120.0° |
| N3 | CA3 | C3 | HA32 | 120.0° | 120.0° |
| N3 | CA3 | HA31 | HA32 | 119.7° | 120.0° |
| N3 | CA3 | C3 | O31 | 118.2° | 0.0° |
| N3 | CA3 | C3 | O32 | 62.3° | 179.9° |
| HN3 | N3 | CA3 | C3 | 12.0° | 0.0° |
| HN3 | N3 | CA3 | HA31 | 132.0° | 119.9° |
| HN3 | N3 | CA3 | HA32 | 108.0° | 120.0° |
| C3 | CA3 | HA31 | HA32 | 119.7° | 120.0° |
| CA3 | C3 | O31 | O32 | 179.5° | 179.9° |
| CA3 | C3 | O32 | HO3 | 179.5° | 180.0° |
| HA31 | CA3 | C3 | O31 | 1.8° | 120.0° |
| HA31 | CA3 | C3 | O32 | 177.7° | 60.1° |
| HA32 | CA3 | C3 | O31 | 121.8° | 120.0° |
| HA32 | CA3 | C3 | O32 | 57.7° | 60.0° |
| O31 | C3 | O32 | HO3 | 0.0° | 0.1° |
| C1' | C' | H'1 | H'2 | 120.4° | 120.0° |
| C' | C1' | C2' | C6' | 178.0° | 179.7° |
| C' | C1' | C2' | C3' | 177.2° | 180.0° |
| C' | C1' | C2' | H2' | 2.8° | 0.0° |
| C' | C1' | C6' | C5' | 177.4° | 179.9° |
| C' | C1' | C6' | H6' | 2.6° | 0.0° |
| H'1 | C' | C1' | C2' | 23.1° | 30.0° |
| H'1 | C' | C1' | C6' | 159.0° | 149.8° |
| H'2 | C' | C1' | C2' | 143.1° | 150.0° |
| H'2 | C' | C1' | C6' | 39.0° | 29.7° |
| C1' | C2' | C3' | H2' | 180.0° | 179.9° |
| C1' | C2' | C3' | C4' | 0.3° | 0.1° |
| C1' | C2' | C3' | H3' | 179.7° | 180.0° |
| C2' | C1' | C6' | C5' | 0.6° | 0.4° |
| C2' | C1' | C6' | H6' | 179.4° | 179.7° |
| C6' | C1' | C2' | C3' | 0.8° | 0.3° |
| C6' | C1' | C2' | H2' | 179.2° | 179.8° |
| C1' | C6' | C5' | C4' | 0.1° | 0.3° |
| C1' | C6' | C5' | H6' | 180.0° | 179.9° |
| C1' | C6' | C5' | H5' | 179.8° | 179.7° |
| C2' | C3' | C4' | H3' | 180.0° | 179.9° |
| C2' | C3' | C4' | N41 | 179.1° | 180.0° |
| C2' | C3' | C4' | C5' | 0.4° | 0.0° |
| H2' | C2' | C3' | C4' | 179.7° | 180.0° |
| H2' | C2' | C3' | H3' | 0.3° | 0.1° |
| C3' | C4' | N41 | C5' | 179.5° | 180.0° |
| C3' | C4' | N41 | O41 | 0.3° | 0.0° |
| C3' | C4' | N41 | O42 | 179.6° | 179.9° |
| C3' | C4' | C5' | C6' | 0.6° | 0.1° |
| C3' | C4' | C5' | H5' | 179.3° | 179.9° |
| H3' | C3' | C4' | N41 | 0.9° | 0.1° |
| H3' | C3' | C4' | C5' | 179.6° | 179.9° |
| C4' | N41 | O41 | O42 | 179.4° | 179.9° |
| N41 | C4' | C5' | C6' | 178.9° | 179.9° |
| N41 | C4' | C5' | H5' | 1.1° | 0.1° |
| C5' | C4' | N41 | O41 | 179.2° | 180.0° |
| C5' | C4' | N41 | O42 | 0.1° | 0.1° |
| C4' | C5' | C6' | H5' | 180.0° | 179.9° |
| C4' | C5' | C6' | H6' | 179.9° | 179.8° |
| H5' | C5' | C6' | H6' | 0.2° | 0.2° |
