GSB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | CA1 | sing | 1.47Å | 1.49Å | |
| N1 | HN11 | sing | 1.01Å | 1.02Å | |
| N1 | HN12 | sing | 1.01Å | 1.02Å | |
| CA1 | C1 | sing | 1.51Å | 1.53Å | |
| CA1 | CB1 | sing | 1.53Å | 1.53Å | |
| CA1 | HA1 | sing | 1.09Å | 1.12Å | |
| C1 | O11 | doub | 1.21Å | 1.25Å | |
| C1 | O12 | sing | 1.34Å | 1.24Å | |
| O12 | HO1 | sing | 0.97Å | 0.95Å | |
| CB1 | CG1 | sing | 1.53Å | 1.53Å | |
| CB1 | HB11 | sing | 1.09Å | 1.11Å | |
| CB1 | HB12 | sing | 1.09Å | 1.12Å | |
| CG1 | CD1 | sing | 1.51Å | 1.53Å | |
| CG1 | HG11 | sing | 1.09Å | 1.11Å | |
| CG1 | HG12 | sing | 1.09Å | 1.12Å | |
| CD1 | OE1 | doub | 1.21Å | 1.23Å | |
| CD1 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | CA2 | sing | 1.46Å | 1.46Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| CA2 | C2 | sing | 1.51Å | 1.54Å | |
| CA2 | CB2 | sing | 1.53Å | 1.52Å | |
| CA2 | HA2 | sing | 1.09Å | 1.11Å | |
| C2 | O2 | doub | 1.21Å | 1.23Å | |
| C2 | N3 | sing | 1.35Å | 1.33Å | |
| N3 | CA3 | sing | 1.46Å | 1.45Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| CA3 | C3 | sing | 1.51Å | 1.52Å | |
| CA3 | HA31 | sing | 1.09Å | 1.12Å | |
| CA3 | HA32 | sing | 1.09Å | 1.12Å | |
| C3 | O31 | doub | 1.21Å | 1.26Å | |
| C3 | O32 | sing | 1.34Å | 1.25Å | |
| O32 | HO3 | sing | 0.97Å | 0.95Å | |
| CB2 | SG2 | sing | 1.81Å | 1.81Å | |
| CB2 | HB21 | sing | 1.09Å | 1.12Å | |
| CB2 | HB22 | sing | 1.09Å | 1.11Å | |
| SG2 | C' | sing | 1.81Å | 1.82Å | |
| C' | C1' | sing | 1.51Å | 1.50Å | |
| C' | H'1 | sing | 1.09Å | 1.11Å | |
| C' | H'2 | sing | 1.09Å | 1.11Å | |
| C1' | C2' | doub | 1.38Å | 1.39Å | Aromatic |
| C1' | C6' | sing | 1.38Å | 1.38Å | Aromatic |
| C2' | C3' | sing | 1.38Å | 1.41Å | Aromatic |
| C2' | H2' | sing | 1.08Å | 1.10Å | |
| C3' | C4' | doub | 1.38Å | 1.38Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.10Å | |
| C4' | C5' | sing | 1.38Å | 1.39Å | Aromatic |
| C4' | H4' | sing | 1.08Å | 1.10Å | |
| C5' | C6' | doub | 1.38Å | 1.40Å | Aromatic |
| C5' | H5' | sing | 1.08Å | 1.10Å | |
| C6' | H6' | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA1 | N1 | HN11 | 107.3° | 106.7° |
| CA1 | N1 | HN12 | 113.0° | 106.7° |
| N1 | CA1 | C1 | 107.3° | 109.4° |
| N1 | CA1 | CB1 | 109.9° | 109.4° |
| N1 | CA1 | HA1 | 111.0° | 109.5° |
| HN11 | N1 | HN12 | 113.0° | 106.7° |
| C1 | CA1 | CB1 | 110.6° | 109.6° |
| C1 | CA1 | HA1 | 110.3° | 109.5° |
| CA1 | C1 | O11 | 118.4° | 120.0° |
| CA1 | C1 | O12 | 118.6° | 120.0° |
| CB1 | CA1 | HA1 | 107.7° | 109.4° |
| CA1 | CB1 | CG1 | 116.1° | 109.5° |
| CA1 | CB1 | HB11 | 109.8° | 109.5° |
| CA1 | CB1 | HB12 | 109.8° | 109.4° |
| O11 | C1 | O12 | 122.9° | 120.0° |
| C1 | O12 | HO1 | 118.6° | 120.0° |
| CG1 | CB1 | HB11 | 109.8° | 109.5° |
| CG1 | CB1 | HB12 | 109.8° | 109.4° |
| CB1 | CG1 | CD1 | 113.8° | 109.5° |
| CB1 | CG1 | HG11 | 110.6° | 109.5° |
| CB1 | CG1 | HG12 | 110.6° | 109.4° |
| HB11 | CB1 | HB12 | 100.4° | 109.4° |
| CD1 | CG1 | HG11 | 110.7° | 109.5° |
| CD1 | CG1 | HG12 | 110.7° | 109.4° |
| CG1 | CD1 | OE1 | 120.7° | 120.0° |
| CG1 | CD1 | N2 | 116.8° | 120.0° |
| HG11 | CG1 | HG12 | 99.6° | 109.5° |
| OE1 | CD1 | N2 | 122.5° | 120.0° |
| CD1 | N2 | CA2 | 121.6° | 119.9° |
| CD1 | N2 | HN2 | 114.4° | 120.0° |
| CA2 | N2 | HN2 | 124.0° | 120.1° |
| N2 | CA2 | C2 | 107.4° | 109.6° |
| N2 | CA2 | CB2 | 109.4° | 109.5° |
| N2 | CA2 | HA2 | 111.2° | 109.5° |
| C2 | CA2 | CB2 | 110.4° | 109.4° |
| C2 | CA2 | HA2 | 110.2° | 109.4° |
| CA2 | C2 | O2 | 120.5° | 120.0° |
| CA2 | C2 | N3 | 117.3° | 120.0° |
| CB2 | CA2 | HA2 | 108.3° | 109.5° |
| CA2 | CB2 | SG2 | 112.6° | 109.4° |
| CA2 | CB2 | HB21 | 111.1° | 109.5° |
| CA2 | CB2 | HB22 | 111.1° | 109.5° |
| O2 | C2 | N3 | 122.2° | 120.0° |
| C2 | N3 | CA3 | 120.6° | 120.0° |
| C2 | N3 | HN3 | 115.1° | 120.0° |
| CA3 | N3 | HN3 | 124.3° | 119.9° |
| N3 | CA3 | C3 | 111.5° | 109.5° |
| N3 | CA3 | HA31 | 111.5° | 109.5° |
| N3 | CA3 | HA32 | 111.5° | 109.4° |
| C3 | CA3 | HA31 | 111.5° | 109.5° |
| C3 | CA3 | HA32 | 111.5° | 109.5° |
| CA3 | C3 | O31 | 118.1° | 120.0° |
| CA3 | C3 | O32 | 118.9° | 120.0° |
| HA31 | CA3 | HA32 | 98.8° | 109.4° |
| O31 | C3 | O32 | 123.0° | 120.0° |
| C3 | O32 | HO3 | 118.9° | 120.0° |
| SG2 | CB2 | HB21 | 111.1° | 109.5° |
| SG2 | CB2 | HB22 | 111.1° | 109.5° |
| CB2 | SG2 | C' | 99.7° | 100.0° |
| HB21 | CB2 | HB22 | 99.3° | 109.5° |
| SG2 | C' | C1' | 112.5° | 109.5° |
| SG2 | C' | H'1 | 111.1° | 109.4° |
| SG2 | C' | H'2 | 111.1° | 109.5° |
| C1' | C' | H'1 | 111.1° | 109.5° |
| C1' | C' | H'2 | 111.1° | 109.4° |
| C' | C1' | C2' | 120.8° | 120.0° |
| C' | C1' | C6' | 120.8° | 120.0° |
| H'1 | C' | H'2 | 99.3° | 109.4° |
| C2' | C1' | C6' | 118.3° | 119.9° |
| C1' | C2' | C3' | 121.3° | 120.0° |
| C1' | C2' | H2' | 118.6° | 120.0° |
| C1' | C6' | C5' | 120.8° | 120.0° |
| C1' | C6' | H6' | 119.1° | 119.9° |
| C3' | C2' | H2' | 120.1° | 120.0° |
| C2' | C3' | C4' | 119.6° | 120.0° |
| C2' | C3' | H3' | 121.2° | 120.0° |
| C4' | C3' | H3' | 119.2° | 120.0° |
| C3' | C4' | C5' | 119.5° | 120.0° |
| C3' | C4' | H4' | 119.9° | 120.0° |
| C5' | C4' | H4' | 120.6° | 120.0° |
| C4' | C5' | C6' | 120.4° | 120.0° |
| C4' | C5' | H5' | 119.4° | 120.0° |
| C6' | C5' | H5' | 120.2° | 120.0° |
| C5' | C6' | H6' | 120.1° | 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 | 119.9° | 120.0° |
| N1 | CA1 | C1 | HA1 | 121.0° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 121.1° | 120.0° |
| N1 | CA1 | C1 | O11 | 26.1° | 30.1° |
| N1 | CA1 | C1 | O12 | 151.9° | 150.0° |
| N1 | CA1 | CB1 | CG1 | 172.4° | 60.0° |
| N1 | CA1 | CB1 | HB11 | 47.2° | 60.1° |
| N1 | CA1 | CB1 | HB12 | 62.3° | 180.0° |
| HN11 | N1 | CA1 | C1 | 180.0° | 173.8° |
| HN11 | N1 | CA1 | CB1 | 59.6° | 53.7° |
| HN11 | N1 | CA1 | HA1 | 59.5° | 66.2° |
| HN12 | N1 | CA1 | C1 | 54.7° | 60.1° |
| HN12 | N1 | CA1 | CB1 | 65.6° | 60.0° |
| HN12 | N1 | CA1 | HA1 | 175.3° | 179.9° |
| C1 | CA1 | CB1 | HA1 | 120.6° | 120.0° |
| CA1 | C1 | O11 | O12 | 177.9° | 179.9° |
| CA1 | C1 | O12 | HO1 | 179.9° | 180.0° |
| C1 | CA1 | CB1 | CG1 | 69.2° | 180.0° |
| C1 | CA1 | CB1 | HB11 | 165.5° | 59.9° |
| C1 | CA1 | CB1 | HB12 | 56.1° | 60.0° |
| CB1 | CA1 | C1 | O11 | 93.8° | 89.9° |
| CB1 | CA1 | C1 | O12 | 88.2° | 90.0° |
| CA1 | CB1 | CG1 | HB11 | 125.3° | 120.1° |
| CA1 | CB1 | CG1 | HB12 | 125.3° | 120.0° |
| CA1 | CB1 | HB11 | HB12 | 115.6° | 119.9° |
| CA1 | CB1 | CG1 | CD1 | 64.5° | 180.0° |
| CA1 | CB1 | CG1 | HG11 | 170.2° | 60.0° |
| CA1 | CB1 | CG1 | HG12 | 60.8° | 60.1° |
| HA1 | CA1 | C1 | O11 | 147.1° | 150.1° |
| HA1 | CA1 | C1 | O12 | 30.9° | 30.0° |
| HA1 | CA1 | CB1 | CG1 | 51.4° | 59.9° |
| HA1 | CA1 | CB1 | HB11 | 73.9° | 180.0° |
| HA1 | CA1 | CB1 | HB12 | 176.6° | 60.1° |
| O11 | C1 | O12 | HO1 | 2.2° | 0.1° |
| CG1 | CB1 | HB11 | HB12 | 115.6° | 119.9° |
| CB1 | CG1 | CD1 | HG11 | 125.3° | 120.1° |
| CB1 | CG1 | CD1 | HG12 | 125.3° | 119.9° |
| CB1 | CG1 | HG11 | HG12 | 116.4° | 120.0° |
| CB1 | CG1 | CD1 | OE1 | 4.8° | 0.1° |
| CB1 | CG1 | CD1 | N2 | 173.2° | 180.0° |
| HB11 | CB1 | CG1 | CD1 | 60.8° | 59.9° |
| HB11 | CB1 | CG1 | HG11 | 64.5° | 179.9° |
| HB11 | CB1 | CG1 | HG12 | 173.9° | 60.1° |
| HB12 | CB1 | CG1 | CD1 | 170.2° | 60.0° |
| HB12 | CB1 | CG1 | HG11 | 44.9° | 60.0° |
| HB12 | CB1 | CG1 | HG12 | 64.5° | 180.0° |
| CD1 | CG1 | HG11 | HG12 | 116.5° | 119.9° |
| CG1 | CD1 | OE1 | N2 | 177.9° | 179.9° |
| CG1 | CD1 | N2 | CA2 | 179.0° | 180.0° |
| CG1 | CD1 | N2 | HN2 | 1.0° | 0.1° |
| HG11 | CG1 | CD1 | OE1 | 130.1° | 120.0° |
| HG11 | CG1 | CD1 | N2 | 47.9° | 59.9° |
| HG12 | CG1 | CD1 | OE1 | 120.4° | 120.0° |
| HG12 | CG1 | CD1 | N2 | 61.5° | 60.1° |
| OE1 | CD1 | N2 | CA2 | 3.0° | 0.1° |
| OE1 | CD1 | N2 | HN2 | 177.0° | 180.0° |
| CD1 | N2 | CA2 | HN2 | 180.0° | 179.9° |
| CD1 | N2 | CA2 | C2 | 79.2° | 90.0° |
| CD1 | N2 | CA2 | CB2 | 161.0° | 150.1° |
| CD1 | N2 | CA2 | HA2 | 41.5° | 30.0° |
| N2 | CA2 | C2 | CB2 | 119.2° | 120.0° |
| N2 | CA2 | C2 | HA2 | 121.2° | 120.1° |
| N2 | CA2 | CB2 | HA2 | 121.3° | 120.0° |
| N2 | CA2 | C2 | O2 | 40.4° | 150.0° |
| N2 | CA2 | C2 | N3 | 138.3° | 29.9° |
| N2 | CA2 | CB2 | SG2 | 40.5° | 60.0° |
| N2 | CA2 | CB2 | HB21 | 84.8° | 60.0° |
| N2 | CA2 | CB2 | HB22 | 165.7° | 180.0° |
| HN2 | N2 | CA2 | C2 | 100.8° | 90.0° |
| HN2 | N2 | CA2 | CB2 | 19.0° | 30.0° |
| HN2 | N2 | CA2 | HA2 | 138.6° | 150.0° |
| C2 | CA2 | CB2 | HA2 | 120.7° | 119.9° |
| CA2 | C2 | O2 | N3 | 178.6° | 179.9° |
| CA2 | C2 | N3 | CA3 | 179.2° | 180.0° |
| CA2 | C2 | N3 | HN3 | 0.8° | 0.1° |
| C2 | CA2 | CB2 | SG2 | 158.5° | 180.0° |
| C2 | CA2 | CB2 | HB21 | 33.2° | 60.1° |
| C2 | CA2 | CB2 | HB22 | 76.3° | 59.9° |
| CB2 | CA2 | C2 | O2 | 78.8° | 90.0° |
| CB2 | CA2 | C2 | N3 | 102.5° | 90.1° |
| CA2 | CB2 | SG2 | HB21 | 125.2° | 120.0° |
| CA2 | CB2 | SG2 | HB22 | 125.3° | 120.0° |
| CA2 | CB2 | HB21 | HB22 | 117.0° | 120.1° |
| CA2 | CB2 | SG2 | C' | 142.9° | 180.0° |
| HA2 | CA2 | C2 | O2 | 161.6° | 29.9° |
| HA2 | CA2 | C2 | N3 | 17.1° | 150.0° |
| HA2 | CA2 | CB2 | SG2 | 80.8° | 60.1° |
| HA2 | CA2 | CB2 | HB21 | 153.9° | 180.0° |
| HA2 | CA2 | CB2 | HB22 | 44.4° | 60.0° |
| O2 | C2 | N3 | CA3 | 0.6° | 0.1° |
| O2 | C2 | N3 | HN3 | 179.4° | 179.9° |
| C2 | N3 | CA3 | HN3 | 180.0° | 180.0° |
| C2 | N3 | CA3 | C3 | 167.7° | 180.0° |
| C2 | N3 | CA3 | HA31 | 42.4° | 60.0° |
| C2 | N3 | CA3 | HA32 | 67.0° | 60.0° |
| N3 | CA3 | C3 | HA31 | 125.3° | 120.0° |
| N3 | CA3 | C3 | HA32 | 125.3° | 120.0° |
| N3 | CA3 | HA31 | HA32 | 117.3° | 119.9° |
| N3 | CA3 | C3 | O31 | 22.6° | 0.0° |
| N3 | CA3 | C3 | O32 | 158.2° | 180.0° |
| HN3 | N3 | CA3 | C3 | 12.3° | 0.0° |
| HN3 | N3 | CA3 | HA31 | 137.6° | 120.0° |
| HN3 | N3 | CA3 | HA32 | 113.0° | 120.0° |
| C3 | CA3 | HA31 | HA32 | 117.3° | 120.0° |
| CA3 | C3 | O31 | O32 | 179.2° | 180.0° |
| CA3 | C3 | O32 | HO3 | 180.0° | 180.0° |
| HA31 | CA3 | C3 | O31 | 102.7° | 120.0° |
| HA31 | CA3 | C3 | O32 | 76.5° | 60.0° |
| HA32 | CA3 | C3 | O31 | 147.9° | 120.0° |
| HA32 | CA3 | C3 | O32 | 32.9° | 60.0° |
| O31 | C3 | O32 | HO3 | 0.8° | 0.1° |
| SG2 | CB2 | HB21 | HB22 | 117.0° | 120.0° |
| CB2 | SG2 | C' | C1' | 128.6° | 180.0° |
| CB2 | SG2 | C' | H'1 | 3.4° | 60.0° |
| CB2 | SG2 | C' | H'2 | 106.1° | 60.0° |
| HB21 | CB2 | SG2 | C' | 91.8° | 60.0° |
| HB22 | CB2 | SG2 | C' | 17.7° | 60.0° |
| SG2 | C' | C1' | H'1 | 125.2° | 120.0° |
| SG2 | C' | C1' | H'2 | 125.2° | 120.1° |
| SG2 | C' | H'1 | H'2 | 117.0° | 120.0° |
| SG2 | C' | C1' | C2' | 70.4° | 90.0° |
| SG2 | C' | C1' | C6' | 108.5° | 90.3° |
| C1' | C' | H'1 | H'2 | 117.0° | 120.0° |
| C' | C1' | C2' | C6' | 179.0° | 179.7° |
| C' | C1' | C2' | C3' | 178.8° | 180.0° |
| C' | C1' | C2' | H2' | 1.2° | 0.0° |
| C' | C1' | C6' | C5' | 178.8° | 179.8° |
| C' | C1' | C6' | H6' | 1.2° | 0.3° |
| H'1 | C' | C1' | C2' | 54.8° | 30.0° |
| H'1 | C' | C1' | C6' | 126.3° | 149.7° |
| H'2 | C' | C1' | C2' | 164.3° | 150.0° |
| H'2 | C' | C1' | C6' | 16.8° | 29.8° |
| C1' | C2' | C3' | H2' | 180.0° | 180.0° |
| C1' | C2' | C3' | C4' | 0.1° | 0.0° |
| C1' | C2' | C3' | H3' | 179.8° | 179.9° |
| C2' | C1' | C6' | C5' | 0.1° | 0.5° |
| C2' | C1' | C6' | H6' | 179.9° | 180.0° |
| C6' | C1' | C2' | C3' | 0.2° | 0.3° |
| C6' | C1' | C2' | H2' | 179.9° | 179.7° |
| C1' | C6' | C5' | C4' | 0.1° | 0.4° |
| C1' | C6' | C5' | H6' | 180.0° | 179.5° |
| C1' | C6' | C5' | H5' | 179.9° | 179.8° |
| C2' | C3' | C4' | H3' | 180.0° | 179.9° |
| C2' | C3' | C4' | C5' | 0.1° | 0.1° |
| C2' | C3' | C4' | H4' | 180.0° | 179.9° |
| H2' | C2' | C3' | C4' | 179.9° | 180.0° |
| H2' | C2' | C3' | H3' | 0.1° | 0.1° |
| C3' | C4' | C5' | H4' | 180.0° | 180.0° |
| C3' | C4' | C5' | C6' | 0.0° | 0.1° |
| C3' | C4' | C5' | H5' | 180.0° | 179.9° |
| H3' | C3' | C4' | C5' | 179.9° | 180.0° |
| H3' | C3' | C4' | H4' | 0.1° | 0.1° |
| C4' | C5' | C6' | H5' | 180.0° | 179.8° |
| C4' | C5' | C6' | H6' | 180.0° | 180.0° |
| H4' | C4' | C5' | C6' | 180.0° | 179.8° |
| H4' | C4' | C5' | H5' | 0.0° | 0.0° |
| H5' | C5' | C6' | H6' | 0.1° | 0.3° |
