GNB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | OT1 | sing | 1.34Å | 1.25Å | |
| C | OT2 | doub | 1.21Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.55Å | |
| OT1 | HOT1 | sing | 0.97Å | 0.95Å | |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | H11N | sing | 1.01Å | 1.02Å | |
| N | H12N | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | HA1 | sing | 1.09Å | 1.12Å | |
| CB | CG | sing | 1.53Å | 1.57Å | |
| CB | HB1 | sing | 1.09Å | 1.12Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB2 | SG2 | sing | 1.81Å | 1.80Å | |
| CB2 | CA2 | sing | 1.53Å | 1.54Å | |
| CB2 | HB21 | sing | 1.09Å | 1.12Å | |
| CB2 | HB22 | sing | 1.09Å | 1.11Å | |
| SG2 | CD2 | sing | 1.81Å | 1.80Å | |
| CG | CD | sing | 1.51Å | 1.54Å | |
| CG | HG1 | sing | 1.09Å | 1.11Å | |
| CG | HG2 | sing | 1.09Å | 1.11Å | |
| CD | OE | doub | 1.21Å | 1.23Å | |
| CD | N2 | sing | 1.35Å | 1.33Å | |
| N2 | CA2 | sing | 1.47Å | 1.50Å | |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| CA2 | C2 | sing | 1.51Å | 1.57Å | |
| CA2 | HA2 | sing | 1.09Å | 1.12Å | |
| C2 | O2 | doub | 1.21Å | 1.24Å | |
| C2 | N3 | sing | 1.35Å | 1.35Å | |
| N3 | CA3 | sing | 1.46Å | 1.49Å | |
| 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 | 1.11Å | |
| C3 | O31 | doub | 1.34Å | 1.25Å | |
| C3 | O32 | sing | 1.21Å | 1.25Å | |
| O32 | HO31 | sing | 4.55Å | 0.95Å | |
| CD2 | OZ1 | sing | 1.43Å | 1.23Å | |
| CD2 | OH1 | sing | 1.43Å | 1.38Å | |
| CD2 | HD2 | sing | 1.09Å | 1.11Å | |
| OZ1 | HOZ1 | sing | 0.97Å | 0.95Å | |
| CG2 | CL1 | doub | 1.38Å | 1.39Å | Aromatic |
| CG2 | CL2 | sing | 1.38Å | 1.40Å | Aromatic |
| CG2 | CH | sing | 1.51Å | 1.53Å | |
| CL1 | CM1 | sing | 1.38Å | 1.39Å | Aromatic |
| CL1 | HL1 | sing | 1.08Å | 1.10Å | |
| CL2 | CM2 | doub | 1.38Å | 1.39Å | Aromatic |
| CL2 | HL2 | sing | 1.08Å | 1.10Å | |
| CM1 | CZ | doub | 1.38Å | 1.40Å | Aromatic |
| CM1 | HM1 | sing | 1.08Å | 1.10Å | |
| CM2 | CZ | sing | 1.38Å | 1.41Å | Aromatic |
| CM2 | HM2 | sing | 1.08Å | 1.10Å | |
| CZ | N7 | sing | 1.48Å | 1.46Å | |
| OH1 | CH | sing | 1.43Å | 1.45Å | |
| CH | HC1 | sing | 1.09Å | 1.12Å | |
| CH | HC2 | sing | 1.09Å | 1.11Å | |
| N7 | O8 | sing | 1.22Å | 1.31Å | |
| N7 | O9 | doub | 1.22Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OT1 | C | OT2 | 120.7° | 120.0° |
| OT1 | C | CA | 120.9° | 120.0° |
| C | OT1 | HOT1 | 120.6° | 120.0° |
| OT2 | C | CA | 118.4° | 120.0° |
| C | CA | N | 113.0° | 109.5° |
| C | CA | CB | 113.2° | 109.5° |
| C | CA | HA1 | 103.8° | 109.4° |
| CA | N | H11N | 113.0° | 106.7° |
| CA | N | H12N | 111.0° | 106.7° |
| N | CA | CB | 107.7° | 109.5° |
| N | CA | HA1 | 109.7° | 109.5° |
| H11N | N | H12N | 110.9° | 106.7° |
| CB | CA | HA1 | 109.4° | 109.4° |
| CA | CB | CG | 114.6° | 109.4° |
| CA | CB | HB1 | 110.3° | 109.4° |
| CA | CB | HB2 | 110.3° | 109.5° |
| CG | CB | HB1 | 110.3° | 109.5° |
| CG | CB | HB2 | 110.4° | 109.5° |
| CB | CG | CD | 115.4° | 109.4° |
| CB | CG | HG1 | 110.1° | 109.5° |
| CB | CG | HG2 | 110.1° | 109.5° |
| HB1 | CB | HB2 | 99.9° | 109.5° |
| SG2 | CB2 | CA2 | 109.6° | 109.5° |
| SG2 | CB2 | HB21 | 112.1° | 109.5° |
| SG2 | CB2 | HB22 | 112.1° | 109.4° |
| CB2 | SG2 | CD2 | 110.1° | 100.0° |
| CA2 | CB2 | HB21 | 112.1° | 109.5° |
| CA2 | CB2 | HB22 | 112.2° | 109.4° |
| CB2 | CA2 | N2 | 107.6° | 109.5° |
| CB2 | CA2 | C2 | 113.6° | 109.5° |
| CB2 | CA2 | HA2 | 109.0° | 109.5° |
| HB21 | CB2 | HB22 | 98.3° | 109.5° |
| SG2 | CD2 | OZ1 | 118.1° | 109.5° |
| SG2 | CD2 | OH1 | 119.3° | 109.5° |
| SG2 | CD2 | HD2 | 164.5° | 109.5° |
| CD | CG | HG1 | 110.0° | 109.5° |
| CD | CG | HG2 | 110.0° | 109.4° |
| CG | CD | OE | 119.9° | 120.0° |
| CG | CD | N2 | 116.7° | 120.0° |
| HG1 | CG | HG2 | 100.2° | 109.5° |
| OE | CD | N2 | 123.4° | 120.0° |
| CD | N2 | CA2 | 118.1° | 120.0° |
| CD | N2 | HN21 | 115.5° | 120.0° |
| CA2 | N2 | HN21 | 126.4° | 120.0° |
| N2 | CA2 | C2 | 112.4° | 109.5° |
| N2 | CA2 | HA2 | 110.3° | 109.5° |
| C2 | CA2 | HA2 | 103.8° | 109.5° |
| CA2 | C2 | O2 | 118.8° | 120.0° |
| CA2 | C2 | N3 | 116.9° | 120.0° |
| O2 | C2 | N3 | 122.7° | 120.0° |
| C2 | N3 | CA3 | 117.6° | 120.0° |
| C2 | N3 | HN3 | 116.8° | 120.0° |
| CA3 | N3 | HN3 | 125.6° | 120.0° |
| N3 | CA3 | C3 | 116.2° | 109.5° |
| N3 | CA3 | HA31 | 109.8° | 109.5° |
| N3 | CA3 | HA32 | 109.8° | 109.5° |
| C3 | CA3 | HA31 | 109.8° | 109.5° |
| C3 | CA3 | HA32 | 109.8° | 109.5° |
| CA3 | C3 | O31 | 121.4° | 120.0° |
| CA3 | C3 | O32 | 117.6° | 120.0° |
| HA31 | CA3 | HA32 | 100.4° | 109.4° |
| O31 | C3 | O32 | 121.0° | 120.0° |
| C3 | O32 | HO31 | 117.7° | 100.3° |
| OZ1 | CD2 | OH1 | 122.6° | 109.5° |
| OZ1 | CD2 | HD2 | 75.6° | 109.5° |
| CD2 | OZ1 | HOZ1 | 118.1° | 106.9° |
| OH1 | CD2 | HD2 | 47.6° | 109.5° |
| CD2 | OH1 | CH | 119.0° | 106.8° |
| CL1 | CG2 | CL2 | 119.5° | 120.0° |
| CL1 | CG2 | CH | 117.7° | 120.0° |
| CG2 | CL1 | CM1 | 120.3° | 120.0° |
| CG2 | CL1 | HL1 | 119.8° | 120.0° |
| CL2 | CG2 | CH | 122.8° | 120.0° |
| CG2 | CL2 | CM2 | 120.1° | 120.0° |
| CG2 | CL2 | HL2 | 120.2° | 120.0° |
| CG2 | CH | OH1 | 114.1° | 109.5° |
| CG2 | CH | HC1 | 110.5° | 109.4° |
| CG2 | CH | HC2 | 110.5° | 109.5° |
| CM1 | CL1 | HL1 | 119.9° | 120.0° |
| CL1 | CM1 | CZ | 120.8° | 120.0° |
| CL1 | CM1 | HM1 | 119.5° | 120.0° |
| CM2 | CL2 | HL2 | 119.7° | 120.0° |
| CL2 | CM2 | CZ | 120.9° | 120.0° |
| CL2 | CM2 | HM2 | 119.0° | 120.0° |
| CZ | CM1 | HM1 | 119.8° | 120.0° |
| CM1 | CZ | CM2 | 118.5° | 120.0° |
| CM1 | CZ | N7 | 122.0° | 120.0° |
| CZ | CM2 | HM2 | 120.1° | 119.9° |
| CM2 | CZ | N7 | 119.5° | 120.0° |
| CZ | N7 | O8 | 122.7° | 120.0° |
| CZ | N7 | O9 | 125.5° | 120.0° |
| OH1 | CH | HC1 | 110.6° | 109.5° |
| OH1 | CH | HC2 | 110.6° | 109.5° |
| HC1 | CH | HC2 | 99.7° | 109.5° |
| O8 | N7 | O9 | 111.9° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OT1 | C | OT2 | CA | 179.8° | 180.0° |
| OT1 | C | CA | N | 35.8° | 160.0° |
| OT1 | C | CA | CB | 87.0° | 80.0° |
| OT1 | C | CA | HA1 | 154.5° | 40.0° |
| OT2 | C | OT1 | HOT1 | 180.0° | 0.0° |
| OT2 | C | CA | N | 144.0° | 20.0° |
| OT2 | C | CA | CB | 93.2° | 100.0° |
| OT2 | C | CA | HA1 | 25.3° | 140.0° |
| CA | C | OT1 | HOT1 | 0.2° | 180.0° |
| C | CA | N | CB | 125.8° | 120.0° |
| C | CA | N | HA1 | 115.2° | 120.0° |
| C | CA | N | H11N | 180.0° | 60.0° |
| C | CA | N | H12N | 54.7° | 173.8° |
| C | CA | CB | HA1 | 115.2° | 120.0° |
| C | CA | CB | CG | 59.7° | 175.0° |
| C | CA | CB | HB1 | 175.1° | 65.0° |
| C | CA | CB | HB2 | 65.6° | 54.9° |
| CA | N | H11N | H12N | 125.3° | 113.8° |
| N | CA | CB | HA1 | 119.1° | 120.0° |
| N | CA | CB | CG | 174.7° | 65.0° |
| N | CA | CB | HB1 | 49.4° | 55.0° |
| N | CA | CB | HB2 | 60.0° | 175.0° |
| H11N | N | CA | CB | 54.2° | 60.0° |
| H11N | N | CA | HA1 | 64.7° | 180.0° |
| H12N | N | CA | CB | 71.0° | 53.8° |
| H12N | N | CA | HA1 | 170.0° | 66.2° |
| CA | CB | CG | HB1 | 125.2° | 119.9° |
| CA | CB | CG | HB2 | 125.3° | 120.1° |
| CA | CB | HB1 | HB2 | 116.2° | 120.0° |
| CA | CB | CG | CD | 71.3° | 179.9° |
| CA | CB | CG | HG1 | 163.5° | 60.1° |
| CA | CB | CG | HG2 | 54.0° | 60.0° |
| HA1 | CA | CB | CG | 55.5° | 55.0° |
| HA1 | CA | CB | HB1 | 69.7° | 175.0° |
| HA1 | CA | CB | HB2 | 179.2° | 65.0° |
| CG | CB | HB1 | HB2 | 116.2° | 120.1° |
| CB | CG | CD | HG1 | 125.3° | 120.0° |
| CB | CG | CD | HG2 | 125.3° | 120.0° |
| CB | CG | HG1 | HG2 | 115.9° | 120.1° |
| CB | CG | CD | OE | 3.3° | 0.0° |
| CB | CG | CD | N2 | 176.7° | 180.0° |
| HB1 | CB | CG | CD | 53.9° | 60.0° |
| HB1 | CB | CG | HG1 | 71.3° | 180.0° |
| HB1 | CB | CG | HG2 | 179.2° | 59.9° |
| HB2 | CB | CG | CD | 163.4° | 60.0° |
| HB2 | CB | CG | HG1 | 38.2° | 60.0° |
| HB2 | CB | CG | HG2 | 71.3° | 180.0° |
| SG2 | CB2 | CA2 | HB21 | 125.2° | 120.1° |
| SG2 | CB2 | CA2 | HB22 | 125.3° | 119.9° |
| SG2 | CB2 | HB21 | HB22 | 118.1° | 120.0° |
| SG2 | CB2 | CA2 | N2 | 60.9° | 60.0° |
| SG2 | CB2 | CA2 | C2 | 174.0° | 180.0° |
| SG2 | CB2 | CA2 | HA2 | 58.7° | 60.0° |
| CB2 | SG2 | CD2 | OZ1 | 10.0° | 57.0° |
| CB2 | SG2 | CD2 | OH1 | 170.3° | 63.0° |
| CB2 | SG2 | CD2 | HD2 | 141.1° | 177.0° |
| CA2 | CB2 | HB21 | HB22 | 118.1° | 120.0° |
| CA2 | CB2 | SG2 | CD2 | 144.9° | 176.3° |
| CB2 | CA2 | N2 | CD | 161.2° | 155.0° |
| CB2 | CA2 | N2 | C2 | 125.9° | 120.0° |
| CB2 | CA2 | N2 | HA2 | 118.8° | 120.0° |
| CB2 | CA2 | N2 | HN21 | 18.8° | 25.0° |
| CB2 | CA2 | C2 | HA2 | 118.3° | 120.0° |
| CB2 | CA2 | C2 | O2 | 94.0° | 120.0° |
| CB2 | CA2 | C2 | N3 | 72.4° | 60.0° |
| HB21 | CB2 | SG2 | CD2 | 19.6° | 56.2° |
| HB21 | CB2 | CA2 | N2 | 173.9° | 60.0° |
| HB21 | CB2 | CA2 | C2 | 48.7° | 60.0° |
| HB21 | CB2 | CA2 | HA2 | 66.5° | 180.0° |
| HB22 | CB2 | SG2 | CD2 | 89.9° | 63.7° |
| HB22 | CB2 | CA2 | N2 | 64.4° | 180.0° |
| HB22 | CB2 | CA2 | C2 | 60.8° | 60.0° |
| HB22 | CB2 | CA2 | HA2 | 176.0° | 60.0° |
| SG2 | CD2 | OZ1 | OH1 | 179.6° | 120.0° |
| SG2 | CD2 | OZ1 | HD2 | 172.4° | 120.0° |
| SG2 | CD2 | OH1 | HD2 | 169.9° | 120.0° |
| SG2 | CD2 | OZ1 | HOZ1 | 179.9° | 66.7° |
| SG2 | CD2 | OH1 | CH | 177.1° | 162.9° |
| CD | CG | HG1 | HG2 | 115.8° | 120.0° |
| CG | CD | OE | N2 | 180.0° | 179.9° |
| CG | CD | N2 | CA2 | 179.5° | 180.0° |
| CG | CD | N2 | HN21 | 0.6° | 0.0° |
| HG1 | CG | CD | OE | 128.6° | 120.0° |
| HG1 | CG | CD | N2 | 51.4° | 60.0° |
| HG2 | CG | CD | OE | 122.0° | 120.0° |
| HG2 | CG | CD | N2 | 58.1° | 60.0° |
| OE | CD | N2 | CA2 | 0.6° | 0.0° |
| OE | CD | N2 | HN21 | 179.4° | 180.0° |
| CD | N2 | CA2 | HN21 | 179.9° | 180.0° |
| CD | N2 | CA2 | C2 | 73.0° | 85.0° |
| CD | N2 | CA2 | HA2 | 42.4° | 35.0° |
| N2 | CA2 | C2 | HA2 | 119.2° | 120.0° |
| N2 | CA2 | C2 | O2 | 28.5° | 0.0° |
| N2 | CA2 | C2 | N3 | 165.1° | 180.0° |
| HN21 | N2 | CA2 | C2 | 107.1° | 95.0° |
| HN21 | N2 | CA2 | HA2 | 137.6° | 145.0° |
| CA2 | C2 | O2 | N3 | 165.5° | 180.0° |
| CA2 | C2 | N3 | CA3 | 164.0° | 180.0° |
| CA2 | C2 | N3 | HN3 | 16.0° | 0.0° |
| HA2 | CA2 | C2 | O2 | 147.7° | 120.0° |
| HA2 | CA2 | C2 | N3 | 45.9° | 60.0° |
| O2 | C2 | N3 | CA3 | 1.8° | 0.0° |
| O2 | C2 | N3 | HN3 | 178.2° | 180.0° |
| C2 | N3 | CA3 | HN3 | 180.0° | 180.0° |
| C2 | N3 | CA3 | C3 | 104.5° | 180.0° |
| C2 | N3 | CA3 | HA31 | 130.3° | 60.0° |
| C2 | N3 | CA3 | HA32 | 20.8° | 60.0° |
| N3 | CA3 | C3 | HA31 | 125.2° | 120.0° |
| N3 | CA3 | C3 | HA32 | 125.3° | 120.0° |
| N3 | CA3 | HA31 | HA32 | 115.6° | 120.0° |
| N3 | CA3 | C3 | O31 | 59.5° | 180.0° |
| N3 | CA3 | C3 | O32 | 121.4° | 0.0° |
| HN3 | N3 | CA3 | C3 | 75.5° | 0.0° |
| HN3 | N3 | CA3 | HA31 | 49.7° | 120.0° |
| HN3 | N3 | CA3 | HA32 | 159.2° | 120.0° |
| C3 | CA3 | HA31 | HA32 | 115.6° | 120.0° |
| CA3 | C3 | O31 | O32 | 179.1° | 180.0° |
| CA3 | C3 | O32 | HO31 | 180.0° | 9.6° |
| HA31 | CA3 | C3 | O31 | 175.3° | 60.0° |
| HA31 | CA3 | C3 | O32 | 3.8° | 120.0° |
| HA32 | CA3 | C3 | O31 | 65.8° | 60.0° |
| HA32 | CA3 | C3 | O32 | 113.3° | 120.0° |
| O31 | C3 | O32 | HO31 | 0.9° | 170.4° |
| OZ1 | CD2 | OH1 | HD2 | 10.5° | 120.0° |
| OZ1 | CD2 | OH1 | CH | 2.6° | 77.2° |
| OH1 | CD2 | OZ1 | HOZ1 | 0.3° | 53.2° |
| CD2 | OH1 | CH | CG2 | 148.5° | 175.4° |
| CD2 | OH1 | CH | HC1 | 86.2° | 55.4° |
| CD2 | OH1 | CH | HC2 | 23.2° | 64.6° |
| HD2 | CD2 | OZ1 | HOZ1 | 7.7° | 173.2° |
| HD2 | CD2 | OH1 | CH | 13.1° | 42.9° |
| CL1 | CG2 | CL2 | CH | 179.6° | 179.7° |
| CG2 | CL1 | CM1 | HL1 | 180.0° | 179.9° |
| CL1 | CG2 | CL2 | CM2 | 0.0° | 0.5° |
| CL1 | CG2 | CL2 | HL2 | 180.0° | 179.9° |
| CG2 | CL1 | CM1 | CZ | 0.5° | 0.1° |
| CG2 | CL1 | CM1 | HM1 | 179.5° | 179.9° |
| CL1 | CG2 | CH | OH1 | 27.3° | 90.0° |
| CL1 | CG2 | CH | HC1 | 152.6° | 29.9° |
| CL1 | CG2 | CH | HC2 | 98.0° | 150.0° |
| CL2 | CG2 | CL1 | CM1 | 0.1° | 0.3° |
| CL2 | CG2 | CL1 | HL1 | 180.0° | 179.8° |
| CG2 | CL2 | CM2 | HL2 | 180.0° | 179.6° |
| CG2 | CL2 | CM2 | CZ | 0.4° | 0.4° |
| CG2 | CL2 | CM2 | HM2 | 179.6° | 179.7° |
| CL2 | CG2 | CH | OH1 | 153.1° | 90.3° |
| CL2 | CG2 | CH | HC1 | 27.8° | 149.8° |
| CL2 | CG2 | CH | HC2 | 81.6° | 29.7° |
| CH | CG2 | CL1 | CM1 | 179.6° | 180.0° |
| CH | CG2 | CL1 | HL1 | 0.4° | 0.1° |
| CH | CG2 | CL2 | CM2 | 179.6° | 179.8° |
| CH | CG2 | CL2 | HL2 | 0.4° | 0.2° |
| CG2 | CH | OH1 | HC1 | 125.3° | 119.9° |
| CG2 | CH | OH1 | HC2 | 125.3° | 120.0° |
| CG2 | CH | HC1 | HC2 | 116.3° | 120.0° |
| CL1 | CM1 | CZ | HM1 | 180.0° | 180.0° |
| CL1 | CM1 | CZ | CM2 | 0.9° | 0.0° |
| CL1 | CM1 | CZ | N7 | 178.1° | 180.0° |
| HL1 | CL1 | CM1 | CZ | 179.5° | 180.0° |
| HL1 | CL1 | CM1 | HM1 | 0.5° | 0.0° |
| CL2 | CM2 | CZ | CM1 | 0.8° | 0.1° |
| CL2 | CM2 | CZ | HM2 | 180.0° | 179.9° |
| CL2 | CM2 | CZ | N7 | 178.2° | 179.9° |
| HL2 | CL2 | CM2 | CZ | 179.6° | 180.0° |
| HL2 | CL2 | CM2 | HM2 | 0.4° | 0.1° |
| CM1 | CZ | CM2 | N7 | 179.0° | 180.0° |
| CM1 | CZ | CM2 | HM2 | 179.2° | 179.9° |
| CM1 | CZ | N7 | O8 | 127.6° | 0.0° |
| CM1 | CZ | N7 | O9 | 52.8° | 180.0° |
| HM1 | CM1 | CZ | CM2 | 179.1° | 180.0° |
| HM1 | CM1 | CZ | N7 | 1.9° | 0.0° |
| CM2 | CZ | N7 | O8 | 51.3° | 180.0° |
| CM2 | CZ | N7 | O9 | 128.2° | 0.0° |
| HM2 | CM2 | CZ | N7 | 1.8° | 0.1° |
| CZ | N7 | O8 | O9 | 179.6° | 180.0° |
| OH1 | CH | HC1 | HC2 | 116.4° | 120.0° |
