GSM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O32 | C3 | sing | 1.34Å | 1.25Å | |
| O32 | H32 | sing | 0.97Å | 0.95Å | |
| C3 | O31 | doub | 1.21Å | 1.25Å | |
| C3 | CA3 | sing | 1.51Å | 1.50Å | |
| CA3 | N3 | sing | 1.46Å | 1.46Å | |
| CA3 | HA31 | sing | 1.09Å | 1.11Å | |
| CA3 | HA32 | sing | 1.09Å | 1.11Å | |
| N3 | C2 | sing | 1.35Å | 1.33Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C2 | O2 | doub | 1.21Å | 1.21Å | |
| C2 | CA2 | sing | 1.51Å | 1.52Å | |
| CA2 | CB2 | sing | 1.53Å | 1.54Å | |
| CA2 | N2 | sing | 1.47Å | 1.47Å | |
| CA2 | HA2 | sing | 1.09Å | 1.12Å | |
| CB2 | SG2 | sing | 1.81Å | 1.77Å | |
| CB2 | HB21 | sing | 1.09Å | 1.11Å | |
| CB2 | HB22 | sing | 1.09Å | 1.12Å | |
| SG2 | C4 | sing | 1.81Å | 1.77Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C4 | H43 | sing | 1.09Å | 1.12Å | |
| N2 | CD1 | sing | 1.35Å | 1.34Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| CD1 | OE1 | doub | 1.21Å | 1.22Å | |
| CD1 | CG1 | sing | 1.51Å | 1.51Å | |
| CG1 | CB1 | sing | 1.53Å | 1.53Å | |
| CG1 | HG11 | sing | 1.09Å | 1.12Å | |
| CG1 | HG12 | sing | 1.09Å | 1.11Å | |
| CB1 | CA1 | sing | 1.53Å | 1.53Å | |
| CB1 | HB11 | sing | 1.09Å | 1.11Å | |
| CB1 | HB12 | sing | 1.09Å | 1.12Å | |
| CA1 | N1 | sing | 1.47Å | 1.46Å | |
| CA1 | C1 | sing | 1.51Å | 1.51Å | |
| CA1 | HA1 | sing | 1.09Å | 1.12Å | |
| N1 | HN11 | sing | 1.01Å | 1.02Å | |
| N1 | HN12 | sing | 1.01Å | 1.02Å | |
| C1 | O11 | sing | 1.34Å | 1.26Å | |
| C1 | O12 | doub | 1.21Å | 1.24Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | O32 | H32 | 123.8° | 120.0° |
| O32 | C3 | O31 | 123.8° | 120.0° |
| O32 | C3 | CA3 | 118.6° | 120.0° |
| O31 | C3 | CA3 | 117.6° | 120.0° |
| C3 | CA3 | N3 | 112.2° | 109.5° |
| C3 | CA3 | HA31 | 111.2° | 109.5° |
| C3 | CA3 | HA32 | 111.2° | 109.5° |
| N3 | CA3 | HA31 | 111.2° | 109.5° |
| N3 | CA3 | HA32 | 111.2° | 109.5° |
| CA3 | N3 | C2 | 127.4° | 120.0° |
| CA3 | N3 | HN3 | 121.8° | 120.0° |
| HA31 | CA3 | HA32 | 99.2° | 109.4° |
| C2 | N3 | HN3 | 110.7° | 120.0° |
| N3 | C2 | O2 | 120.2° | 120.0° |
| N3 | C2 | CA2 | 117.5° | 120.0° |
| O2 | C2 | CA2 | 122.3° | 120.0° |
| C2 | CA2 | CB2 | 107.8° | 109.5° |
| C2 | CA2 | N2 | 109.0° | 109.5° |
| C2 | CA2 | HA2 | 109.6° | 109.5° |
| CB2 | CA2 | N2 | 105.4° | 109.5° |
| CB2 | CA2 | HA2 | 113.0° | 109.5° |
| CA2 | CB2 | SG2 | 115.6° | 109.5° |
| CA2 | CB2 | HB21 | 110.0° | 109.5° |
| CA2 | CB2 | HB22 | 110.0° | 109.5° |
| N2 | CA2 | HA2 | 111.8° | 109.4° |
| CA2 | N2 | CD1 | 126.5° | 120.0° |
| CA2 | N2 | HN2 | 122.0° | 119.9° |
| SG2 | CB2 | HB21 | 110.0° | 109.4° |
| SG2 | CB2 | HB22 | 110.0° | 109.4° |
| CB2 | SG2 | C4 | 101.8° | 100.0° |
| HB21 | CB2 | HB22 | 100.3° | 109.5° |
| SG2 | C4 | H41 | 101.8° | 109.5° |
| SG2 | C4 | H42 | 115.1° | 109.5° |
| SG2 | C4 | H43 | 115.1° | 109.5° |
| H41 | C4 | H42 | 115.2° | 109.5° |
| H41 | C4 | H43 | 115.1° | 109.4° |
| H42 | C4 | H43 | 95.3° | 109.5° |
| CD1 | N2 | HN2 | 111.5° | 120.0° |
| N2 | CD1 | OE1 | 125.4° | 120.0° |
| N2 | CD1 | CG1 | 115.2° | 120.0° |
| OE1 | CD1 | CG1 | 119.4° | 120.0° |
| CD1 | CG1 | CB1 | 109.8° | 109.5° |
| CD1 | CG1 | HG11 | 112.1° | 109.5° |
| CD1 | CG1 | HG12 | 112.1° | 109.4° |
| CB1 | CG1 | HG11 | 112.1° | 109.5° |
| CB1 | CG1 | HG12 | 112.1° | 109.5° |
| CG1 | CB1 | CA1 | 110.6° | 109.5° |
| CG1 | CB1 | HB11 | 111.8° | 109.5° |
| CG1 | CB1 | HB12 | 111.8° | 109.5° |
| HG11 | CG1 | HG12 | 98.3° | 109.4° |
| CA1 | CB1 | HB11 | 111.8° | 109.4° |
| CA1 | CB1 | HB12 | 111.8° | 109.4° |
| CB1 | CA1 | N1 | 110.0° | 109.4° |
| CB1 | CA1 | C1 | 112.9° | 109.5° |
| CB1 | CA1 | HA1 | 107.0° | 109.5° |
| HB11 | CB1 | HB12 | 98.6° | 109.5° |
| N1 | CA1 | C1 | 110.1° | 109.5° |
| N1 | CA1 | HA1 | 109.9° | 109.5° |
| CA1 | N1 | HN11 | 110.0° | 106.7° |
| CA1 | N1 | HN12 | 112.0° | 106.7° |
| C1 | CA1 | HA1 | 106.9° | 109.5° |
| CA1 | C1 | O11 | 122.4° | 120.0° |
| CA1 | C1 | O12 | 117.0° | 120.0° |
| HN11 | N1 | HN12 | 111.9° | 106.7° |
| O11 | C1 | O12 | 120.5° | 120.0° |
| C1 | O11 | H11 | 122.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | C3 | O31 | CA3 | 179.7° | 179.9° |
| O32 | C3 | CA3 | N3 | 3.0° | 180.0° |
| O32 | C3 | CA3 | HA31 | 122.3° | 60.0° |
| O32 | C3 | CA3 | HA32 | 128.2° | 60.0° |
| H32 | O32 | C3 | O31 | 180.0° | 0.1° |
| H32 | O32 | C3 | CA3 | 0.3° | 180.0° |
| O31 | C3 | CA3 | N3 | 177.3° | 0.1° |
| O31 | C3 | CA3 | HA31 | 57.4° | 120.0° |
| O31 | C3 | CA3 | HA32 | 52.1° | 120.1° |
| C3 | CA3 | N3 | HA31 | 125.2° | 120.1° |
| C3 | CA3 | N3 | HA32 | 125.3° | 120.0° |
| C3 | CA3 | HA31 | HA32 | 117.1° | 120.0° |
| C3 | CA3 | N3 | C2 | 85.8° | 180.0° |
| C3 | CA3 | N3 | HN3 | 94.1° | 0.1° |
| N3 | CA3 | HA31 | HA32 | 117.1° | 120.0° |
| CA3 | N3 | C2 | HN3 | 180.0° | 179.9° |
| CA3 | N3 | C2 | O2 | 1.2° | 0.0° |
| CA3 | N3 | C2 | CA2 | 177.9° | 180.0° |
| HA31 | CA3 | N3 | C2 | 148.9° | 59.9° |
| HA31 | CA3 | N3 | HN3 | 31.1° | 120.0° |
| HA32 | CA3 | N3 | C2 | 39.4° | 60.0° |
| HA32 | CA3 | N3 | HN3 | 140.6° | 120.1° |
| N3 | C2 | O2 | CA2 | 179.0° | 180.0° |
| N3 | C2 | CA2 | CB2 | 141.7° | 60.0° |
| N3 | C2 | CA2 | N2 | 27.8° | 180.0° |
| N3 | C2 | CA2 | HA2 | 94.9° | 60.0° |
| HN3 | N3 | C2 | O2 | 178.8° | 180.0° |
| HN3 | N3 | C2 | CA2 | 2.1° | 0.0° |
| O2 | C2 | CA2 | CB2 | 37.3° | 120.0° |
| O2 | C2 | CA2 | N2 | 151.3° | 0.0° |
| O2 | C2 | CA2 | HA2 | 86.0° | 119.9° |
| C2 | CA2 | CB2 | N2 | 116.3° | 120.0° |
| C2 | CA2 | CB2 | HA2 | 121.3° | 120.1° |
| C2 | CA2 | N2 | HA2 | 121.4° | 120.0° |
| C2 | CA2 | CB2 | SG2 | 171.7° | 180.0° |
| C2 | CA2 | CB2 | HB21 | 46.4° | 60.0° |
| C2 | CA2 | CB2 | HB22 | 63.1° | 60.0° |
| C2 | CA2 | N2 | CD1 | 132.2° | 155.0° |
| C2 | CA2 | N2 | HN2 | 47.8° | 25.0° |
| CB2 | CA2 | N2 | HA2 | 123.1° | 120.0° |
| CA2 | CB2 | SG2 | HB21 | 125.2° | 120.0° |
| CA2 | CB2 | SG2 | HB22 | 125.2° | 120.0° |
| CA2 | CB2 | HB21 | HB22 | 115.8° | 120.0° |
| CA2 | CB2 | SG2 | C4 | 100.6° | 180.0° |
| CB2 | CA2 | N2 | CD1 | 112.3° | 85.0° |
| CB2 | CA2 | N2 | HN2 | 67.7° | 95.0° |
| N2 | CA2 | CB2 | SG2 | 55.3° | 60.0° |
| N2 | CA2 | CB2 | HB21 | 69.9° | 180.0° |
| N2 | CA2 | CB2 | HB22 | 179.4° | 60.0° |
| CA2 | N2 | CD1 | HN2 | 180.0° | 180.0° |
| CA2 | N2 | CD1 | OE1 | 1.4° | 0.0° |
| CA2 | N2 | CD1 | CG1 | 179.9° | 180.0° |
| HA2 | CA2 | CB2 | SG2 | 67.0° | 60.0° |
| HA2 | CA2 | CB2 | HB21 | 167.7° | 60.0° |
| HA2 | CA2 | CB2 | HB22 | 58.2° | 179.9° |
| HA2 | CA2 | N2 | CD1 | 10.8° | 35.0° |
| HA2 | CA2 | N2 | HN2 | 169.2° | 145.0° |
| SG2 | CB2 | HB21 | HB22 | 115.8° | 119.9° |
| CB2 | SG2 | C4 | H41 | 179.9° | 180.0° |
| CB2 | SG2 | C4 | H42 | 54.7° | 60.0° |
| CB2 | SG2 | C4 | H43 | 54.8° | 60.0° |
| HB21 | CB2 | SG2 | C4 | 134.2° | 60.0° |
| HB22 | CB2 | SG2 | C4 | 24.6° | 60.0° |
| SG2 | C4 | H41 | H42 | 125.3° | 120.1° |
| SG2 | C4 | H41 | H43 | 125.2° | 120.0° |
| SG2 | C4 | H42 | H43 | 121.0° | 120.0° |
| H41 | C4 | H42 | H43 | 120.9° | 119.9° |
| N2 | CD1 | OE1 | CG1 | 178.6° | 180.0° |
| N2 | CD1 | CG1 | CB1 | 156.8° | 180.0° |
| N2 | CD1 | CG1 | HG11 | 78.0° | 60.0° |
| N2 | CD1 | CG1 | HG12 | 31.5° | 60.0° |
| HN2 | N2 | CD1 | OE1 | 178.6° | 180.0° |
| HN2 | N2 | CD1 | CG1 | 0.1° | 0.0° |
| OE1 | CD1 | CG1 | CB1 | 22.0° | 0.0° |
| OE1 | CD1 | CG1 | HG11 | 103.3° | 120.0° |
| OE1 | CD1 | CG1 | HG12 | 147.2° | 120.0° |
| CD1 | CG1 | CB1 | HG11 | 125.3° | 120.0° |
| CD1 | CG1 | CB1 | HG12 | 125.3° | 120.0° |
| CD1 | CG1 | HG11 | HG12 | 118.0° | 119.9° |
| CD1 | CG1 | CB1 | CA1 | 167.8° | 180.0° |
| CD1 | CG1 | CB1 | HB11 | 67.0° | 60.0° |
| CD1 | CG1 | CB1 | HB12 | 42.5° | 60.0° |
| CB1 | CG1 | HG11 | HG12 | 118.0° | 120.0° |
| CG1 | CB1 | CA1 | HB11 | 125.3° | 120.0° |
| CG1 | CB1 | CA1 | HB12 | 125.3° | 120.0° |
| CG1 | CB1 | HB11 | HB12 | 117.7° | 120.0° |
| CG1 | CB1 | CA1 | N1 | 158.0° | 65.0° |
| CG1 | CB1 | CA1 | C1 | 78.6° | 175.0° |
| CG1 | CB1 | CA1 | HA1 | 38.7° | 55.0° |
| HG11 | CG1 | CB1 | CA1 | 42.5° | 60.0° |
| HG11 | CG1 | CB1 | HB11 | 167.8° | 180.0° |
| HG11 | CG1 | CB1 | HB12 | 82.7° | 60.0° |
| HG12 | CG1 | CB1 | CA1 | 66.9° | 60.0° |
| HG12 | CG1 | CB1 | HB11 | 58.3° | 60.0° |
| HG12 | CG1 | CB1 | HB12 | 167.8° | 180.0° |
| CA1 | CB1 | HB11 | HB12 | 117.7° | 120.0° |
| CB1 | CA1 | N1 | C1 | 125.0° | 120.0° |
| CB1 | CA1 | N1 | HA1 | 117.5° | 120.0° |
| CB1 | CA1 | C1 | HA1 | 117.3° | 120.0° |
| CB1 | CA1 | N1 | HN11 | 180.0° | 60.0° |
| CB1 | CA1 | N1 | HN12 | 54.7° | 53.8° |
| CB1 | CA1 | C1 | O11 | 82.8° | 80.1° |
| CB1 | CA1 | C1 | O12 | 97.3° | 100.0° |
| HB11 | CB1 | CA1 | N1 | 76.7° | 175.0° |
| HB11 | CB1 | CA1 | C1 | 46.7° | 55.0° |
| HB11 | CB1 | CA1 | HA1 | 164.0° | 65.0° |
| HB12 | CB1 | CA1 | N1 | 32.7° | 55.0° |
| HB12 | CB1 | CA1 | C1 | 156.2° | 65.0° |
| HB12 | CB1 | CA1 | HA1 | 86.6° | 175.0° |
| N1 | CA1 | C1 | HA1 | 119.3° | 120.0° |
| CA1 | N1 | HN11 | HN12 | 125.3° | 113.8° |
| N1 | CA1 | C1 | O11 | 153.9° | 160.0° |
| N1 | CA1 | C1 | O12 | 26.1° | 19.9° |
| C1 | CA1 | N1 | HN11 | 55.0° | 60.0° |
| C1 | CA1 | N1 | HN12 | 179.8° | 173.8° |
| CA1 | C1 | O11 | O12 | 179.9° | 179.9° |
| CA1 | C1 | O11 | H11 | 180.0° | 180.0° |
| HA1 | CA1 | N1 | HN11 | 62.4° | 180.0° |
| HA1 | CA1 | N1 | HN12 | 62.8° | 66.2° |
| HA1 | CA1 | C1 | O11 | 34.6° | 39.9° |
| HA1 | CA1 | C1 | O12 | 145.3° | 140.0° |
| O12 | C1 | O11 | H11 | 0.0° | 0.1° |
