GBP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | OT1 | sing | 1.34Å | 1.26Å | |
| C | OT2 | doub | 1.21Å | 1.26Å | |
| C | CA | sing | 1.51Å | 1.56Å | |
| 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 | 1.55Å | |
| CA | HA1 | sing | 1.09Å | 1.12Å | |
| CB | CG | sing | 1.53Å | 1.56Å | |
| CB | HB1 | sing | 1.09Å | 1.12Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB2 | SG2 | sing | 1.81Å | 1.84Å | |
| CB2 | CA2 | sing | 1.53Å | 1.55Å | |
| 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 | 1.24Å | |
| CD | N2 | sing | 1.35Å | 1.34Å | |
| N2 | CA2 | sing | 1.46Å | 1.48Å | |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| CA2 | C2 | sing | 1.51Å | 1.58Å | |
| CA2 | HA2 | sing | 1.09Å | 1.12Å | |
| C2 | O2 | doub | 1.21Å | 1.24Å | |
| C2 | N3 | sing | 1.35Å | 1.34Å | |
| N3 | CA3 | sing | 1.47Å | 1.48Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| CA3 | C3 | sing | 1.51Å | 1.53Å | |
| CA3 | HA31 | sing | 1.09Å | 1.12Å | |
| CA3 | HA32 | sing | 1.09Å | 1.11Å | |
| C3 | O31 | doub | 1.21Å | 1.25Å | |
| C3 | O32 | sing | 1.34Å | 1.24Å | |
| O32 | HO31 | sing | 0.97Å | 0.95Å | |
| NE2 | OF2 | sing | 1.42Å | 1.33Å | |
| NE2 | CD2 | sing | 1.47Å | 1.34Å | |
| NE2 | CG2 | sing | 1.40Å | 1.46Å | |
| OF2 | HOF2 | sing | 0.97Å | 0.95Å | |
| CD2 | OZ1 | sing | 1.43Å | 1.23Å | |
| CD2 | HD2 | sing | 1.09Å | 1.12Å | |
| OZ1 | HOZ1 | sing | 0.97Å | 0.95Å | |
| CG2 | CL1 | doub | 1.39Å | 1.40Å | Aromatic |
| CG2 | CL2 | sing | 1.39Å | 1.40Å | Aromatic |
| 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 | 1.39Å | Aromatic |
| CM1 | HM1 | sing | 1.08Å | 1.10Å | |
| CM2 | CZ | sing | 1.38Å | 1.39Å | Aromatic |
| CM2 | HM2 | sing | 1.08Å | 1.10Å | |
| CZ | BR | sing | 1.89Å | 1.88Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OT1 | C | OT2 | 121.8° | 119.9° |
| OT1 | C | CA | 121.2° | 120.0° |
| C | OT1 | HOT1 | 121.7° | 120.1° |
| OT2 | C | CA | 117.1° | 120.0° |
| C | CA | N | 111.3° | 109.5° |
| C | CA | CB | 115.5° | 109.5° |
| C | CA | HA1 | 103.2° | 109.5° |
| CA | N | H11N | 111.3° | 106.7° |
| CA | N | H12N | 111.6° | 106.7° |
| N | CA | CB | 107.4° | 109.4° |
| N | CA | HA1 | 111.9° | 109.5° |
| H11N | N | H12N | 111.5° | 106.7° |
| CB | CA | HA1 | 107.5° | 109.5° |
| CA | CB | CG | 118.4° | 109.5° |
| CA | CB | HB1 | 109.0° | 109.5° |
| CA | CB | HB2 | 109.0° | 109.4° |
| CG | CB | HB1 | 109.0° | 109.5° |
| CG | CB | HB2 | 109.0° | 109.4° |
| CB | CG | CD | 118.3° | 109.5° |
| CB | CG | HG1 | 109.1° | 109.5° |
| CB | CG | HG2 | 109.0° | 109.4° |
| HB1 | CB | HB2 | 101.1° | 109.4° |
| SG2 | CB2 | CA2 | 109.8° | 109.4° |
| SG2 | CB2 | HB21 | 112.0° | 109.5° |
| SG2 | CB2 | HB22 | 112.1° | 109.4° |
| CB2 | SG2 | CD2 | 109.3° | 100.0° |
| CA2 | CB2 | HB21 | 112.1° | 109.5° |
| CA2 | CB2 | HB22 | 112.1° | 109.5° |
| CB2 | CA2 | N2 | 108.3° | 109.5° |
| CB2 | CA2 | C2 | 108.6° | 109.4° |
| CB2 | CA2 | HA2 | 112.4° | 109.4° |
| HB21 | CB2 | HB22 | 98.3° | 109.5° |
| SG2 | CD2 | NE2 | 123.8° | 109.5° |
| SG2 | CD2 | OZ1 | 112.5° | 109.5° |
| SG2 | CD2 | HD2 | 115.2° | 109.5° |
| CD | CG | HG1 | 109.0° | 109.6° |
| CD | CG | HG2 | 109.0° | 109.4° |
| CG | CD | OE | 119.2° | 120.0° |
| CG | CD | N2 | 117.1° | 120.0° |
| HG1 | CG | HG2 | 101.1° | 109.4° |
| OE | CD | N2 | 123.7° | 120.0° |
| CD | N2 | CA2 | 124.1° | 120.0° |
| CD | N2 | HN21 | 112.5° | 120.0° |
| CA2 | N2 | HN21 | 123.5° | 120.0° |
| N2 | CA2 | C2 | 114.0° | 109.5° |
| N2 | CA2 | HA2 | 107.0° | 109.5° |
| C2 | CA2 | HA2 | 106.6° | 109.4° |
| CA2 | C2 | O2 | 119.3° | 120.0° |
| CA2 | C2 | N3 | 115.5° | 120.0° |
| O2 | C2 | N3 | 124.9° | 120.0° |
| C2 | N3 | CA3 | 124.0° | 120.0° |
| C2 | N3 | HN3 | 112.8° | 120.0° |
| CA3 | N3 | HN3 | 123.2° | 120.0° |
| N3 | CA3 | C3 | 115.8° | 109.5° |
| N3 | CA3 | HA31 | 109.9° | 109.5° |
| N3 | CA3 | HA32 | 109.9° | 109.4° |
| C3 | CA3 | HA31 | 109.9° | 109.5° |
| C3 | CA3 | HA32 | 110.0° | 109.5° |
| CA3 | C3 | O31 | 118.3° | 120.0° |
| CA3 | C3 | O32 | 118.6° | 120.0° |
| HA31 | CA3 | HA32 | 100.3° | 109.5° |
| O31 | C3 | O32 | 123.2° | 120.0° |
| C3 | O32 | HO31 | 118.6° | 120.0° |
| OF2 | NE2 | CD2 | 113.4° | 120.0° |
| OF2 | NE2 | CG2 | 117.3° | 120.0° |
| NE2 | OF2 | HOF2 | 113.3° | 106.8° |
| CD2 | NE2 | CG2 | 129.3° | 120.0° |
| NE2 | CD2 | OZ1 | 123.4° | 109.4° |
| NE2 | CD2 | HD2 | 41.9° | 109.4° |
| NE2 | CG2 | CL1 | 121.8° | 120.1° |
| NE2 | CG2 | CL2 | 118.4° | 120.1° |
| OZ1 | CD2 | HD2 | 117.6° | 109.5° |
| CD2 | OZ1 | HOZ1 | 112.6° | 106.8° |
| CL1 | CG2 | CL2 | 119.8° | 119.9° |
| CG2 | CL1 | CM1 | 120.9° | 120.0° |
| CG2 | CL1 | HL1 | 119.9° | 120.0° |
| CG2 | CL2 | CM2 | 119.2° | 119.9° |
| CG2 | CL2 | HL2 | 120.9° | 120.0° |
| CM1 | CL1 | HL1 | 119.1° | 120.0° |
| CL1 | CM1 | CZ | 118.2° | 120.0° |
| CL1 | CM1 | HM1 | 121.0° | 120.0° |
| CM2 | CL2 | HL2 | 119.9° | 120.0° |
| CL2 | CM2 | CZ | 120.1° | 120.1° |
| CL2 | CM2 | HM2 | 120.0° | 119.9° |
| CZ | CM1 | HM1 | 120.9° | 120.0° |
| CM1 | CZ | CM2 | 121.7° | 120.2° |
| CM1 | CZ | BR | 118.6° | 119.9° |
| CZ | CM2 | HM2 | 119.9° | 120.0° |
| CM2 | CZ | BR | 119.6° | 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 | 108.3° | 150.0° |
| OT1 | C | CA | CB | 14.5° | 90.1° |
| OT1 | C | CA | HA1 | 131.5° | 30.0° |
| OT2 | C | OT1 | HOT1 | 180.0° | 0.1° |
| OT2 | C | CA | N | 71.6° | 30.0° |
| OT2 | C | CA | CB | 165.7° | 89.9° |
| OT2 | C | CA | HA1 | 48.7° | 150.0° |
| CA | C | OT1 | HOT1 | 0.2° | 179.9° |
| C | CA | N | CB | 127.3° | 120.0° |
| C | CA | N | HA1 | 115.0° | 120.0° |
| C | CA | N | H11N | 180.0° | 60.0° |
| C | CA | N | H12N | 54.7° | 173.8° |
| C | CA | CB | HA1 | 114.6° | 120.0° |
| C | CA | CB | CG | 60.5° | 179.9° |
| C | CA | CB | HB1 | 174.3° | 60.0° |
| C | CA | CB | HB2 | 64.8° | 60.0° |
| CA | N | H11N | H12N | 125.3° | 113.8° |
| N | CA | CB | HA1 | 120.6° | 120.0° |
| N | CA | CB | CG | 174.7° | 60.1° |
| N | CA | CB | HB1 | 49.4° | 60.0° |
| N | CA | CB | HB2 | 60.0° | 180.0° |
| H11N | N | CA | CB | 52.8° | 60.0° |
| H11N | N | CA | HA1 | 65.0° | 180.0° |
| H12N | N | CA | CB | 72.6° | 53.8° |
| H12N | N | CA | HA1 | 169.7° | 66.2° |
| CA | CB | CG | HB1 | 125.2° | 120.1° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | HB1 | HB2 | 114.7° | 120.0° |
| CA | CB | CG | CD | 90.8° | 180.0° |
| CA | CB | CG | HG1 | 144.0° | 59.9° |
| CA | CB | CG | HG2 | 34.4° | 60.0° |
| HA1 | CA | CB | CG | 54.1° | 59.9° |
| HA1 | CA | CB | HB1 | 71.2° | 180.0° |
| HA1 | CA | CB | HB2 | 179.4° | 60.0° |
| CG | CB | HB1 | HB2 | 114.7° | 119.9° |
| CB | CG | CD | HG1 | 125.2° | 120.1° |
| CB | CG | CD | HG2 | 125.2° | 119.9° |
| CB | CG | HG1 | HG2 | 114.8° | 119.9° |
| CB | CG | CD | OE | 105.7° | 0.1° |
| CB | CG | CD | N2 | 74.3° | 179.9° |
| HB1 | CB | CG | CD | 34.5° | 59.9° |
| HB1 | CB | CG | HG1 | 90.7° | 179.9° |
| HB1 | CB | CG | HG2 | 159.7° | 60.0° |
| HB2 | CB | CG | CD | 144.0° | 60.0° |
| HB2 | CB | CG | HG1 | 18.7° | 60.1° |
| HB2 | CB | CG | HG2 | 90.9° | 180.0° |
| SG2 | CB2 | CA2 | HB21 | 125.2° | 120.0° |
| SG2 | CB2 | CA2 | HB22 | 125.3° | 120.0° |
| SG2 | CB2 | HB21 | HB22 | 118.0° | 120.0° |
| SG2 | CB2 | CA2 | N2 | 62.2° | 60.0° |
| SG2 | CB2 | CA2 | C2 | 173.6° | 180.0° |
| SG2 | CB2 | CA2 | HA2 | 55.8° | 60.1° |
| CB2 | SG2 | CD2 | NE2 | 174.2° | 56.5° |
| CB2 | SG2 | CD2 | OZ1 | 11.8° | 63.5° |
| CB2 | SG2 | CD2 | HD2 | 126.7° | 176.5° |
| CA2 | CB2 | HB21 | HB22 | 118.1° | 120.1° |
| CA2 | CB2 | SG2 | CD2 | 69.7° | 179.6° |
| CB2 | CA2 | N2 | CD | 154.7° | 150.0° |
| CB2 | CA2 | N2 | C2 | 121.0° | 120.0° |
| CB2 | CA2 | N2 | HA2 | 121.4° | 120.0° |
| CB2 | CA2 | N2 | HN21 | 25.2° | 29.9° |
| CB2 | CA2 | C2 | HA2 | 121.4° | 119.9° |
| CB2 | CA2 | C2 | O2 | 65.3° | 90.0° |
| CB2 | CA2 | C2 | N3 | 108.1° | 90.0° |
| HB21 | CB2 | SG2 | CD2 | 55.5° | 59.7° |
| HB21 | CB2 | CA2 | N2 | 172.6° | 60.0° |
| HB21 | CB2 | CA2 | C2 | 48.3° | 60.0° |
| HB21 | CB2 | CA2 | HA2 | 69.4° | 179.9° |
| HB22 | CB2 | SG2 | CD2 | 165.0° | 60.4° |
| HB22 | CB2 | CA2 | N2 | 63.1° | 180.0° |
| HB22 | CB2 | CA2 | C2 | 61.2° | 60.0° |
| HB22 | CB2 | CA2 | HA2 | 178.9° | 59.9° |
| SG2 | CD2 | NE2 | OF2 | 6.0° | 68.8° |
| SG2 | CD2 | NE2 | OZ1 | 173.4° | 120.1° |
| SG2 | CD2 | NE2 | HD2 | 91.2° | 120.0° |
| SG2 | CD2 | NE2 | CG2 | 175.6° | 111.2° |
| SG2 | CD2 | OZ1 | HD2 | 137.4° | 120.0° |
| SG2 | CD2 | OZ1 | HOZ1 | 180.0° | 52.2° |
| CD | CG | HG1 | HG2 | 114.7° | 120.0° |
| CG | CD | OE | N2 | 180.0° | 180.0° |
| CG | CD | N2 | CA2 | 177.6° | 179.9° |
| CG | CD | N2 | HN21 | 2.3° | 0.1° |
| HG1 | CG | CD | OE | 129.1° | 120.0° |
| HG1 | CG | CD | N2 | 50.9° | 59.9° |
| HG2 | CG | CD | OE | 19.6° | 120.0° |
| HG2 | CG | CD | N2 | 160.4° | 60.0° |
| OE | CD | N2 | CA2 | 2.4° | 0.1° |
| OE | CD | N2 | HN21 | 177.7° | 179.9° |
| CD | N2 | CA2 | HN21 | 179.9° | 179.9° |
| CD | N2 | CA2 | C2 | 84.3° | 90.0° |
| CD | N2 | CA2 | HA2 | 33.3° | 30.0° |
| N2 | CA2 | C2 | HA2 | 117.8° | 120.0° |
| N2 | CA2 | C2 | O2 | 173.9° | 150.0° |
| N2 | CA2 | C2 | N3 | 12.7° | 30.0° |
| HN21 | N2 | CA2 | C2 | 95.8° | 90.1° |
| HN21 | N2 | CA2 | HA2 | 146.6° | 149.9° |
| CA2 | C2 | O2 | N3 | 172.8° | 180.0° |
| CA2 | C2 | N3 | CA3 | 171.3° | 180.0° |
| CA2 | C2 | N3 | HN3 | 8.7° | 0.0° |
| HA2 | CA2 | C2 | O2 | 56.0° | 30.0° |
| HA2 | CA2 | C2 | N3 | 130.5° | 150.0° |
| O2 | C2 | N3 | CA3 | 1.7° | 0.0° |
| O2 | C2 | N3 | HN3 | 178.3° | 180.0° |
| C2 | N3 | CA3 | HN3 | 180.0° | 180.0° |
| C2 | N3 | CA3 | C3 | 126.3° | 180.0° |
| C2 | N3 | CA3 | HA31 | 1.1° | 60.0° |
| C2 | N3 | CA3 | HA32 | 108.3° | 60.0° |
| N3 | CA3 | C3 | HA31 | 125.2° | 120.0° |
| N3 | CA3 | C3 | HA32 | 125.3° | 120.0° |
| N3 | CA3 | HA31 | HA32 | 115.7° | 120.0° |
| N3 | CA3 | C3 | O31 | 2.1° | 0.0° |
| N3 | CA3 | C3 | O32 | 178.5° | 180.0° |
| HN3 | N3 | CA3 | C3 | 53.7° | 0.1° |
| HN3 | N3 | CA3 | HA31 | 178.9° | 119.9° |
| HN3 | N3 | CA3 | HA32 | 71.7° | 120.0° |
| C3 | CA3 | HA31 | HA32 | 115.8° | 120.0° |
| CA3 | C3 | O31 | O32 | 179.4° | 180.0° |
| CA3 | C3 | O32 | HO31 | 180.0° | 180.0° |
| HA31 | CA3 | C3 | O31 | 123.1° | 120.0° |
| HA31 | CA3 | C3 | O32 | 56.3° | 60.0° |
| HA32 | CA3 | C3 | O31 | 127.4° | 120.0° |
| HA32 | CA3 | C3 | O32 | 53.2° | 60.0° |
| O31 | C3 | O32 | HO31 | 0.6° | 0.0° |
| OF2 | NE2 | CD2 | CG2 | 178.4° | 180.0° |
| OF2 | NE2 | CD2 | OZ1 | 179.4° | 51.3° |
| OF2 | NE2 | CD2 | HD2 | 85.2° | 171.2° |
| OF2 | NE2 | CG2 | CL1 | 143.8° | 7.7° |
| OF2 | NE2 | CG2 | CL2 | 35.6° | 172.7° |
| CD2 | NE2 | OF2 | HOF2 | 180.0° | 5.7° |
| NE2 | CD2 | OZ1 | HD2 | 48.5° | 119.9° |
| NE2 | CD2 | OZ1 | HOZ1 | 5.9° | 67.9° |
| CD2 | NE2 | CG2 | CL1 | 34.6° | 172.3° |
| CD2 | NE2 | CG2 | CL2 | 146.0° | 7.3° |
| CG2 | NE2 | OF2 | HOF2 | 1.4° | 174.3° |
| CG2 | NE2 | CD2 | OZ1 | 2.2° | 128.7° |
| CG2 | NE2 | CD2 | HD2 | 93.2° | 8.8° |
| NE2 | CG2 | CL1 | CL2 | 179.4° | 179.7° |
| NE2 | CG2 | CL1 | CM1 | 179.1° | 180.0° |
| NE2 | CG2 | CL1 | HL1 | 0.9° | 0.1° |
| NE2 | CG2 | CL2 | CM2 | 179.0° | 179.7° |
| NE2 | CG2 | CL2 | HL2 | 1.0° | 0.2° |
| HD2 | CD2 | OZ1 | HOZ1 | 42.6° | 172.2° |
| CG2 | CL1 | CM1 | HL1 | 180.0° | 179.9° |
| CL1 | CG2 | CL2 | CM2 | 0.4° | 0.6° |
| CL1 | CG2 | CL2 | HL2 | 179.6° | 179.9° |
| CG2 | CL1 | CM1 | CZ | 0.4° | 0.1° |
| CG2 | CL1 | CM1 | HM1 | 179.7° | 179.9° |
| CL2 | CG2 | CL1 | CM1 | 0.3° | 0.4° |
| CL2 | CG2 | CL1 | HL1 | 179.7° | 179.8° |
| CG2 | CL2 | CM2 | HL2 | 180.0° | 179.5° |
| CG2 | CL2 | CM2 | CZ | 0.7° | 0.6° |
| CG2 | CL2 | CM2 | HM2 | 179.3° | 179.7° |
| CL1 | CM1 | CZ | HM1 | 180.0° | 180.0° |
| CL1 | CM1 | CZ | CM2 | 0.6° | 0.1° |
| CL1 | CM1 | CZ | BR | 179.7° | 180.0° |
| HL1 | CL1 | CM1 | CZ | 179.6° | 180.0° |
| HL1 | CL1 | CM1 | HM1 | 0.4° | 0.0° |
| CL2 | CM2 | CZ | CM1 | 0.8° | 0.3° |
| CL2 | CM2 | CZ | HM2 | 180.0° | 179.7° |
| CL2 | CM2 | CZ | BR | 179.5° | 179.7° |
| HL2 | CL2 | CM2 | CZ | 179.3° | 180.0° |
| HL2 | CL2 | CM2 | HM2 | 0.7° | 0.2° |
| CM1 | CZ | CM2 | BR | 179.7° | 180.0° |
| CM1 | CZ | CM2 | HM2 | 179.2° | 180.0° |
| HM1 | CM1 | CZ | CM2 | 179.4° | 179.9° |
| HM1 | CM1 | CZ | BR | 0.3° | 0.0° |
| HM2 | CM2 | CZ | BR | 0.5° | 0.0° |
