GSO
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 | 1.25Å | |
| C | CA | sing | 1.51Å | 1.50Å | |
| OT1 | HT1 | sing | 0.97Å | 0.95Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | HN1 | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | CG | sing | 1.53Å | 1.52Å | |
| CB | HBC1 | sing | 1.09Å | 1.11Å | |
| CB | HBC2 | sing | 1.09Å | 1.11Å | |
| CB2 | SG2 | sing | 1.81Å | 1.78Å | |
| CB2 | CA2 | sing | 1.53Å | 1.46Å | |
| CB2 | HB21 | sing | 1.09Å | 1.11Å | |
| CB2 | HB22 | sing | 1.09Å | 1.11Å | |
| SG2 | CD2 | sing | 1.81Å | 1.75Å | |
| CG | CD | sing | 1.51Å | 1.52Å | |
| CG | HGC1 | sing | 1.09Å | 1.12Å | |
| CG | HGC2 | sing | 1.09Å | 1.11Å | |
| CD | OE | doub | 1.21Å | 1.32Å | |
| CD | N2 | sing | 1.35Å | 1.26Å | |
| N2 | CA2 | sing | 1.46Å | 1.40Å | |
| N2 | H2 | sing | 0.97Å | 1.02Å | |
| CA2 | C2 | sing | 1.51Å | 1.43Å | |
| CA2 | HA2 | sing | 1.09Å | 1.12Å | |
| C2 | O2 | doub | 1.21Å | 1.31Å | |
| C2 | N3 | sing | 1.35Å | 1.27Å | |
| N3 | CA3 | sing | 1.47Å | 1.46Å | |
| N3 | H3 | sing | 0.97Å | 1.02Å | |
| CA3 | C3 | sing | 1.51Å | 1.50Å | |
| CA3 | HA31 | sing | 1.09Å | 1.12Å | |
| CA3 | HA32 | sing | 1.09Å | 1.12Å | |
| C3 | O31 | doub | 1.21Å | 1.25Å | |
| C3 | O32 | sing | 1.34Å | 1.26Å | |
| O32 | H32 | sing | 0.97Å | 0.95Å | |
| OF2 | C22 | sing | 1.43Å | 1.44Å | |
| OF2 | HF2 | sing | 0.97Å | 0.95Å | |
| CD2 | C22 | sing | 1.53Å | 1.52Å | |
| CD2 | HD21 | sing | 1.09Å | 1.11Å | |
| CD2 | HD22 | sing | 1.09Å | 1.11Å | |
| CG2 | CL1 | doub | 1.38Å | 1.39Å | Aromatic |
| CG2 | CL2 | sing | 1.38Å | 1.39Å | Aromatic |
| CG2 | HG2 | sing | 1.08Å | 1.10Å | |
| CL1 | CM1 | sing | 1.38Å | 1.40Å | 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 | C22 | sing | 1.51Å | 1.48Å | |
| CM2 | CZ | sing | 1.38Å | 1.39Å | Aromatic |
| CM2 | HM2 | sing | 1.08Å | 1.10Å | |
| CZ | HZ | sing | 1.08Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OT1 | C | OT2 | 122.4° | 120.0° |
| OT1 | C | CA | 117.7° | 120.0° |
| C | OT1 | HT1 | 122.4° | 120.0° |
| OT2 | C | CA | 119.9° | 120.0° |
| C | CA | N | 111.4° | 109.5° |
| C | CA | CB | 111.9° | 109.5° |
| C | CA | HA | 108.0° | 109.4° |
| CA | N | HN1 | 120.3° | 106.7° |
| CA | N | HN2 | 120.2° | 106.7° |
| N | CA | CB | 109.3° | 109.5° |
| N | CA | HA | 108.0° | 109.5° |
| HN1 | N | HN2 | 89.7° | 106.7° |
| CB | CA | HA | 108.0° | 109.5° |
| CA | CB | CG | 110.5° | 109.5° |
| CA | CB | HBC1 | 111.8° | 109.4° |
| CA | CB | HBC2 | 111.8° | 109.5° |
| CG | CB | HBC1 | 111.8° | 109.5° |
| CG | CB | HBC2 | 111.9° | 109.5° |
| CB | CG | CD | 112.0° | 109.5° |
| CB | CG | HGC1 | 111.3° | 109.5° |
| CB | CG | HGC2 | 111.3° | 109.5° |
| HBC1 | CB | HBC2 | 98.6° | 109.5° |
| SG2 | CB2 | CA2 | 116.8° | 109.5° |
| SG2 | CB2 | HB21 | 109.5° | 109.5° |
| SG2 | CB2 | HB22 | 109.5° | 109.5° |
| CB2 | SG2 | CD2 | 114.2° | 100.0° |
| CA2 | CB2 | HB21 | 109.5° | 109.4° |
| CA2 | CB2 | HB22 | 109.5° | 109.5° |
| CB2 | CA2 | N2 | 95.8° | 109.5° |
| CB2 | CA2 | C2 | 122.5° | 109.5° |
| CB2 | CA2 | HA2 | 105.0° | 109.5° |
| HB21 | CB2 | HB22 | 100.7° | 109.5° |
| SG2 | CD2 | C22 | 108.6° | 109.5° |
| SG2 | CD2 | HD21 | 112.5° | 109.5° |
| SG2 | CD2 | HD22 | 112.6° | 109.4° |
| CD | CG | HGC1 | 111.3° | 109.5° |
| CD | CG | HGC2 | 111.3° | 109.4° |
| CG | CD | OE | 123.6° | 120.0° |
| CG | CD | N2 | 112.6° | 120.0° |
| HGC1 | CG | HGC2 | 99.1° | 109.5° |
| OE | CD | N2 | 123.9° | 120.0° |
| CD | N2 | CA2 | 136.0° | 120.0° |
| CD | N2 | H2 | 112.0° | 120.0° |
| CA2 | N2 | H2 | 112.0° | 120.0° |
| N2 | CA2 | C2 | 121.4° | 109.5° |
| N2 | CA2 | HA2 | 105.0° | 109.5° |
| C2 | CA2 | HA2 | 105.0° | 109.5° |
| CA2 | C2 | O2 | 120.8° | 120.0° |
| CA2 | C2 | N3 | 116.7° | 120.0° |
| O2 | C2 | N3 | 122.0° | 120.0° |
| C2 | N3 | CA3 | 123.5° | 120.0° |
| C2 | N3 | H3 | 118.2° | 120.0° |
| CA3 | N3 | H3 | 118.3° | 120.0° |
| N3 | CA3 | C3 | 118.2° | 109.4° |
| N3 | CA3 | HA31 | 109.1° | 109.5° |
| N3 | CA3 | HA32 | 109.0° | 109.5° |
| C3 | CA3 | HA31 | 109.0° | 109.5° |
| C3 | CA3 | HA32 | 109.1° | 109.5° |
| CA3 | C3 | O31 | 119.9° | 120.0° |
| CA3 | C3 | O32 | 116.2° | 120.0° |
| HA31 | CA3 | HA32 | 101.0° | 109.5° |
| O31 | C3 | O32 | 124.0° | 120.0° |
| C3 | O32 | H32 | 116.2° | 120.0° |
| C22 | OF2 | HF2 | 109.8° | 106.8° |
| OF2 | C22 | CD2 | 109.8° | 109.5° |
| OF2 | C22 | CM1 | 111.9° | 109.4° |
| OF2 | C22 | H22 | 109.3° | 109.5° |
| C22 | CD2 | HD21 | 112.5° | 109.5° |
| C22 | CD2 | HD22 | 112.5° | 109.4° |
| CD2 | C22 | CM1 | 107.1° | 109.5° |
| CD2 | C22 | H22 | 109.3° | 109.5° |
| HD21 | CD2 | HD22 | 97.9° | 109.5° |
| CL1 | CG2 | CL2 | 119.5° | 120.0° |
| CL1 | CG2 | HG2 | 120.3° | 120.0° |
| CG2 | CL1 | CM1 | 120.0° | 120.0° |
| CG2 | CL1 | HL1 | 120.0° | 120.0° |
| CL2 | CG2 | HG2 | 120.3° | 120.1° |
| CG2 | CL2 | CM2 | 120.8° | 120.0° |
| CG2 | CL2 | HL2 | 119.6° | 120.0° |
| CM1 | CL1 | HL1 | 120.0° | 120.0° |
| CL1 | CM1 | CZ | 120.4° | 120.0° |
| CL1 | CM1 | C22 | 118.3° | 120.0° |
| CM2 | CL2 | HL2 | 119.6° | 120.0° |
| CL2 | CM2 | CZ | 119.8° | 120.0° |
| CL2 | CM2 | HM2 | 120.1° | 120.0° |
| CZ | CM1 | C22 | 121.3° | 120.0° |
| CM1 | CZ | CM2 | 119.6° | 120.0° |
| CM1 | CZ | HZ | 120.2° | 120.0° |
| CM1 | C22 | H22 | 109.3° | 109.5° |
| CZ | CM2 | HM2 | 120.1° | 120.0° |
| CM2 | CZ | HZ | 120.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OT1 | C | OT2 | CA | 179.9° | 180.0° |
| OT1 | C | CA | N | 154.4° | 160.0° |
| OT1 | C | CA | CB | 82.9° | 80.0° |
| OT1 | C | CA | HA | 35.9° | 40.0° |
| OT2 | C | OT1 | HT1 | 180.0° | 0.0° |
| OT2 | C | CA | N | 25.7° | 20.0° |
| OT2 | C | CA | CB | 97.0° | 100.0° |
| OT2 | C | CA | HA | 144.3° | 140.0° |
| CA | C | OT1 | HT1 | 0.1° | 180.0° |
| C | CA | N | CB | 124.2° | 120.0° |
| C | CA | N | HA | 118.5° | 120.0° |
| C | CA | N | HN1 | 107.8° | 60.0° |
| C | CA | N | HN2 | 142.7° | 173.8° |
| C | CA | CB | HA | 118.8° | 119.9° |
| C | CA | CB | CG | 79.1° | 175.0° |
| C | CA | CB | HBC1 | 46.2° | 65.0° |
| C | CA | CB | HBC2 | 155.6° | 55.0° |
| CA | N | HN1 | HN2 | 125.5° | 113.8° |
| N | CA | CB | HA | 117.3° | 120.1° |
| N | CA | CB | CG | 157.0° | 65.0° |
| N | CA | CB | HBC1 | 77.7° | 55.0° |
| N | CA | CB | HBC2 | 31.7° | 174.9° |
| HN1 | N | CA | CB | 128.0° | 60.0° |
| HN1 | N | CA | HA | 10.7° | 180.0° |
| HN2 | N | CA | CB | 18.5° | 53.8° |
| HN2 | N | CA | HA | 98.8° | 66.3° |
| CA | CB | CG | HBC1 | 125.3° | 120.0° |
| CA | CB | CG | HBC2 | 125.2° | 120.0° |
| CA | CB | HBC1 | HBC2 | 117.7° | 120.0° |
| CA | CB | CG | CD | 175.4° | 180.0° |
| CA | CB | CG | HGC1 | 50.2° | 60.0° |
| CA | CB | CG | HGC2 | 59.3° | 60.0° |
| HA | CA | CB | CG | 39.7° | 55.1° |
| HA | CA | CB | HBC1 | 165.0° | 175.0° |
| HA | CA | CB | HBC2 | 85.6° | 65.0° |
| CG | CB | HBC1 | HBC2 | 117.8° | 120.0° |
| CB | CG | CD | HGC1 | 125.2° | 120.0° |
| CB | CG | CD | HGC2 | 125.3° | 120.0° |
| CB | CG | HGC1 | HGC2 | 117.2° | 120.0° |
| CB | CG | CD | OE | 18.9° | 0.0° |
| CB | CG | CD | N2 | 162.0° | 180.0° |
| HBC1 | CB | CG | CD | 59.3° | 60.0° |
| HBC1 | CB | CG | HGC1 | 175.4° | NaN° |
| HBC1 | CB | CG | HGC2 | 65.9° | 59.9° |
| HBC2 | CB | CG | CD | 50.2° | 60.0° |
| HBC2 | CB | CG | HGC1 | 75.1° | 60.0° |
| HBC2 | CB | CG | HGC2 | 175.4° | 179.9° |
| SG2 | CB2 | CA2 | HB21 | 125.2° | 120.0° |
| SG2 | CB2 | CA2 | HB22 | 125.3° | 120.0° |
| SG2 | CB2 | HB21 | HB22 | 115.3° | 120.0° |
| SG2 | CB2 | CA2 | N2 | 73.7° | 60.0° |
| SG2 | CB2 | CA2 | C2 | 152.9° | 180.0° |
| SG2 | CB2 | CA2 | HA2 | 33.6° | 60.0° |
| CB2 | SG2 | CD2 | C22 | 115.0° | 180.0° |
| CB2 | SG2 | CD2 | HD21 | 119.8° | 59.9° |
| CB2 | SG2 | CD2 | HD22 | 10.3° | 60.0° |
| CA2 | CB2 | HB21 | HB22 | 115.3° | 120.0° |
| CA2 | CB2 | SG2 | CD2 | 31.0° | 180.0° |
| CB2 | CA2 | N2 | CD | 108.3° | 155.0° |
| CB2 | CA2 | N2 | C2 | 134.1° | 120.0° |
| CB2 | CA2 | N2 | HA2 | 107.3° | 120.0° |
| CB2 | CA2 | N2 | H2 | 71.7° | 25.0° |
| CB2 | CA2 | C2 | HA2 | 119.3° | 120.0° |
| CB2 | CA2 | C2 | O2 | 56.1° | 120.0° |
| CB2 | CA2 | C2 | N3 | 116.1° | 60.0° |
| HB21 | CB2 | SG2 | CD2 | 156.3° | 60.0° |
| HB21 | CB2 | CA2 | N2 | 51.6° | 60.0° |
| HB21 | CB2 | CA2 | C2 | 81.8° | 60.0° |
| HB21 | CB2 | CA2 | HA2 | 158.9° | 180.0° |
| HB22 | CB2 | SG2 | CD2 | 94.2° | 60.0° |
| HB22 | CB2 | CA2 | N2 | 161.1° | 180.0° |
| HB22 | CB2 | CA2 | C2 | 27.7° | 60.0° |
| HB22 | CB2 | CA2 | HA2 | 91.6° | 60.0° |
| SG2 | CD2 | C22 | OF2 | 32.5° | 65.0° |
| SG2 | CD2 | C22 | HD21 | 125.2° | 120.1° |
| SG2 | CD2 | C22 | HD22 | 125.3° | 120.0° |
| SG2 | CD2 | HD21 | HD22 | 118.5° | 120.0° |
| SG2 | CD2 | C22 | CM1 | 89.2° | 175.0° |
| SG2 | CD2 | C22 | H22 | 152.4° | 55.0° |
| CD | CG | HGC1 | HGC2 | 117.2° | 120.0° |
| CG | CD | OE | N2 | 179.0° | 180.0° |
| CG | CD | N2 | CA2 | 175.2° | 180.0° |
| CG | CD | N2 | H2 | 4.8° | 0.0° |
| HGC1 | CG | CD | OE | 106.3° | 120.0° |
| HGC1 | CG | CD | N2 | 72.7° | 60.0° |
| HGC2 | CG | CD | OE | 144.2° | 120.0° |
| HGC2 | CG | CD | N2 | 36.8° | 60.0° |
| OE | CD | N2 | CA2 | 5.8° | 0.0° |
| OE | CD | N2 | H2 | 174.2° | 180.0° |
| CD | N2 | CA2 | H2 | 180.0° | 180.0° |
| CD | N2 | CA2 | C2 | 117.6° | 85.0° |
| CD | N2 | CA2 | HA2 | 1.0° | 35.0° |
| N2 | CA2 | C2 | HA2 | 118.6° | 120.0° |
| N2 | CA2 | C2 | O2 | 178.2° | 0.0° |
| N2 | CA2 | C2 | N3 | 6.0° | 180.0° |
| H2 | N2 | CA2 | C2 | 62.4° | 95.1° |
| H2 | N2 | CA2 | HA2 | 179.0° | 145.0° |
| CA2 | C2 | O2 | N3 | 171.8° | 180.0° |
| CA2 | C2 | N3 | CA3 | 173.3° | 180.0° |
| CA2 | C2 | N3 | H3 | 6.7° | 0.1° |
| HA2 | CA2 | C2 | O2 | 63.2° | 120.0° |
| HA2 | CA2 | C2 | N3 | 124.6° | 60.0° |
| O2 | C2 | N3 | CA3 | 1.2° | 0.0° |
| O2 | C2 | N3 | H3 | 178.8° | 180.0° |
| C2 | N3 | CA3 | H3 | 180.0° | 179.9° |
| C2 | N3 | CA3 | C3 | 118.3° | 180.0° |
| C2 | N3 | CA3 | HA31 | 116.4° | 60.1° |
| C2 | N3 | CA3 | HA32 | 7.0° | 60.0° |
| N3 | CA3 | C3 | HA31 | 125.3° | 119.9° |
| N3 | CA3 | C3 | HA32 | 125.3° | 120.0° |
| N3 | CA3 | HA31 | HA32 | 114.8° | 120.0° |
| N3 | CA3 | C3 | O31 | 9.6° | 0.1° |
| N3 | CA3 | C3 | O32 | 171.8° | 180.0° |
| H3 | N3 | CA3 | C3 | 61.7° | 0.1° |
| H3 | N3 | CA3 | HA31 | 63.6° | 120.0° |
| H3 | N3 | CA3 | HA32 | 173.0° | 119.9° |
| C3 | CA3 | HA31 | HA32 | 114.8° | 120.1° |
| CA3 | C3 | O31 | O32 | 178.5° | 179.9° |
| CA3 | C3 | O32 | H32 | 180.0° | 180.0° |
| HA31 | CA3 | C3 | O31 | 134.8° | 120.0° |
| HA31 | CA3 | C3 | O32 | 46.6° | 60.1° |
| HA32 | CA3 | C3 | O31 | 115.7° | 119.9° |
| HA32 | CA3 | C3 | O32 | 62.9° | 60.0° |
| O31 | C3 | O32 | H32 | 1.5° | 0.0° |
| OF2 | C22 | CD2 | CM1 | 121.7° | 120.0° |
| OF2 | C22 | CD2 | H22 | 119.9° | 120.0° |
| OF2 | C22 | CD2 | HD21 | 92.7° | 55.0° |
| OF2 | C22 | CD2 | HD22 | 157.8° | 175.0° |
| OF2 | C22 | CM1 | CL1 | 155.1° | 39.8° |
| OF2 | C22 | CM1 | CZ | 25.8° | 140.0° |
| OF2 | C22 | CM1 | H22 | 121.2° | 120.0° |
| HF2 | OF2 | C22 | CD2 | 180.0° | 60.0° |
| HF2 | OF2 | C22 | CM1 | 61.2° | 60.0° |
| HF2 | OF2 | C22 | H22 | 60.1° | 180.0° |
| C22 | CD2 | HD21 | HD22 | 118.5° | 120.0° |
| CD2 | C22 | CM1 | CL1 | 84.5° | 80.2° |
| CD2 | C22 | CM1 | CZ | 94.6° | 100.0° |
| CD2 | C22 | CM1 | H22 | 118.3° | 120.0° |
| HD21 | CD2 | C22 | CM1 | 145.5° | 65.0° |
| HD21 | CD2 | C22 | H22 | 27.2° | 175.0° |
| HD22 | CD2 | C22 | CM1 | 36.0° | 55.0° |
| HD22 | CD2 | C22 | H22 | 82.3° | 65.0° |
| CL1 | CG2 | CL2 | HG2 | 180.0° | 179.9° |
| CG2 | CL1 | CM1 | HL1 | 180.0° | 179.7° |
| CL1 | CG2 | CL2 | CM2 | 0.1° | 0.1° |
| CL1 | CG2 | CL2 | HL2 | 179.9° | 179.9° |
| CG2 | CL1 | CM1 | CZ | 0.4° | 0.4° |
| CG2 | CL1 | CM1 | C22 | 179.5° | 179.8° |
| CL2 | CG2 | CL1 | CM1 | 0.4° | 0.3° |
| CL2 | CG2 | CL1 | HL1 | 179.6° | 180.0° |
| CG2 | CL2 | CM2 | HL2 | 180.0° | 180.0° |
| CG2 | CL2 | CM2 | CZ | 0.2° | 0.0° |
| CG2 | CL2 | CM2 | HM2 | 179.8° | 180.0° |
| HG2 | CG2 | CL1 | CM1 | 179.7° | 179.7° |
| HG2 | CG2 | CL1 | HL1 | 0.4° | 0.1° |
| HG2 | CG2 | CL2 | CM2 | 180.0° | 180.0° |
| HG2 | CG2 | CL2 | HL2 | 0.0° | 0.1° |
| CL1 | CM1 | CZ | C22 | 179.1° | 179.7° |
| CL1 | CM1 | CZ | CM2 | 0.1° | 0.3° |
| CL1 | CM1 | CZ | HZ | 179.9° | 179.8° |
| CL1 | CM1 | C22 | H22 | 33.9° | 159.7° |
| HL1 | CL1 | CM1 | CZ | 179.6° | 179.9° |
| HL1 | CL1 | CM1 | C22 | 0.5° | 0.2° |
| CL2 | CM2 | CZ | CM1 | 0.2° | 0.0° |
| CL2 | CM2 | CZ | HM2 | 180.0° | 180.0° |
| CL2 | CM2 | CZ | HZ | 179.8° | 180.0° |
| HL2 | CL2 | CM2 | CZ | 179.8° | 180.0° |
| HL2 | CL2 | CM2 | HM2 | 0.2° | 0.0° |
| CM1 | CZ | CM2 | HZ | 180.0° | 179.9° |
| CM1 | CZ | CM2 | HM2 | 179.8° | 179.9° |
| CZ | CM1 | C22 | H22 | 147.0° | 20.0° |
| C22 | CM1 | CZ | CM2 | 179.2° | 180.0° |
| C22 | CM1 | CZ | HZ | 0.8° | 0.0° |
| HM2 | CM2 | CZ | HZ | 0.2° | 0.0° |
