3GC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | CA1 | sing | 1.47Å | 1.48Å | |
| N1 | H11 | sing | 1.01Å | 1.02Å | |
| N1 | H22 | sing | 1.01Å | 1.02Å | |
| CA1 | C1 | sing | 1.51Å | 1.56Å | |
| CA1 | CB1 | sing | 1.53Å | 1.56Å | |
| CA1 | HA1 | sing | 1.09Å | 1.11Å | |
| C1 | O11 | doub | 1.21Å | 1.23Å | |
| C1 | O12 | sing | 1.34Å | 1.31Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å | |
| CB1 | CG1 | sing | 1.53Å | 1.56Å | |
| CB1 | HB11 | sing | 1.09Å | 1.11Å | |
| CB1 | HB12 | sing | 1.09Å | 1.11Å | |
| CG1 | CD1 | sing | 1.51Å | 1.55Å | |
| CG1 | HG11 | sing | 1.09Å | 1.12Å | |
| CG1 | HG12 | sing | 1.09Å | 1.12Å | |
| CD1 | OE1 | doub | 1.21Å | 1.25Å | |
| CD1 | N2 | sing | 1.35Å | 1.35Å | |
| N2 | CA2 | sing | 1.47Å | 1.47Å | |
| N2 | H2 | sing | 0.97Å | 1.02Å | |
| CA2 | C2 | sing | 1.51Å | 1.55Å | |
| CA2 | CB2 | sing | 1.53Å | 1.54Å | |
| CA2 | HA2 | sing | 1.09Å | 1.12Å | |
| C2 | O2 | doub | 1.21Å | 1.23Å | |
| C2 | O3 | sing | 1.34Å | 1.36Å | |
| CB2 | SG2 | sing | 1.81Å | 1.83Å | |
| CB2 | HB21 | sing | 1.09Å | 1.11Å | |
| CB2 | HB22 | sing | 1.09Å | 1.11Å | |
| SG2 | HG2 | sing | 1.35Å | 0.95Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA1 | N1 | H11 | 110.9° | 106.7° |
| CA1 | N1 | H22 | 113.0° | 106.7° |
| N1 | CA1 | C1 | 113.0° | 109.5° |
| N1 | CA1 | CB1 | 109.1° | 109.4° |
| N1 | CA1 | HA1 | 107.9° | 109.4° |
| H11 | N1 | H22 | 110.9° | 106.7° |
| C1 | CA1 | CB1 | 111.1° | 109.5° |
| C1 | CA1 | HA1 | 105.7° | 109.5° |
| CA1 | C1 | O11 | 119.0° | 120.0° |
| CA1 | C1 | O12 | 117.3° | 120.0° |
| CB1 | CA1 | HA1 | 109.9° | 109.5° |
| CA1 | CB1 | CG1 | 112.5° | 109.5° |
| CA1 | CB1 | HB11 | 111.1° | 109.5° |
| CA1 | CB1 | HB12 | 111.1° | 109.4° |
| O11 | C1 | O12 | 123.7° | 120.1° |
| C1 | O12 | H12 | 117.3° | 119.9° |
| CG1 | CB1 | HB11 | 111.1° | 109.5° |
| CG1 | CB1 | HB12 | 111.1° | 109.5° |
| CB1 | CG1 | CD1 | 110.3° | 109.5° |
| CB1 | CG1 | HG11 | 111.9° | 109.5° |
| CB1 | CG1 | HG12 | 111.9° | 109.5° |
| HB11 | CB1 | HB12 | 99.2° | 109.4° |
| CD1 | CG1 | HG11 | 111.9° | 109.5° |
| CD1 | CG1 | HG12 | 111.9° | 109.5° |
| CG1 | CD1 | OE1 | 121.4° | 120.0° |
| CG1 | CD1 | N2 | 113.9° | 120.0° |
| HG11 | CG1 | HG12 | 98.5° | 109.4° |
| OE1 | CD1 | N2 | 124.6° | 120.0° |
| CD1 | N2 | CA2 | 120.6° | 120.1° |
| CD1 | N2 | H2 | 115.3° | 120.0° |
| CA2 | N2 | H2 | 124.1° | 120.0° |
| N2 | CA2 | C2 | 111.5° | 109.4° |
| N2 | CA2 | CB2 | 108.4° | 109.6° |
| N2 | CA2 | HA2 | 109.0° | 109.5° |
| C2 | CA2 | CB2 | 110.0° | 109.5° |
| C2 | CA2 | HA2 | 107.3° | 109.5° |
| CA2 | C2 | O2 | 122.4° | 119.9° |
| CA2 | C2 | O3 | 115.5° | 120.0° |
| CB2 | CA2 | HA2 | 110.6° | 109.5° |
| CA2 | CB2 | SG2 | 111.7° | 109.5° |
| CA2 | CB2 | HB21 | 111.4° | 109.4° |
| CA2 | CB2 | HB22 | 111.4° | 109.6° |
| O2 | C2 | O3 | 121.1° | 120.0° |
| C2 | O3 | H3 | 115.6° | 120.0° |
| SG2 | CB2 | HB21 | 111.4° | 109.5° |
| SG2 | CB2 | HB22 | 111.4° | 109.5° |
| CB2 | SG2 | HG2 | 111.7° | 100.0° |
| HB21 | CB2 | HB22 | 99.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA1 | N1 | H11 | H22 | 126.5° | 113.8° |
| N1 | CA1 | C1 | CB1 | 123.0° | 120.0° |
| N1 | CA1 | C1 | HA1 | 117.8° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 118.1° | 119.9° |
| N1 | CA1 | C1 | O11 | 5.3° | 30.0° |
| N1 | CA1 | C1 | O12 | 175.5° | 150.0° |
| N1 | CA1 | CB1 | CG1 | 67.4° | 60.0° |
| N1 | CA1 | CB1 | HB11 | 57.8° | 60.0° |
| N1 | CA1 | CB1 | HB12 | 167.3° | 180.0° |
| H11 | N1 | CA1 | C1 | 54.8° | 60.0° |
| H11 | N1 | CA1 | CB1 | 69.4° | 60.1° |
| H11 | N1 | CA1 | HA1 | 171.3° | 180.0° |
| H22 | N1 | CA1 | C1 | 180.0° | 173.8° |
| H22 | N1 | CA1 | CB1 | 55.9° | 53.7° |
| H22 | N1 | CA1 | HA1 | 63.5° | 66.2° |
| C1 | CA1 | CB1 | HA1 | 116.6° | 120.1° |
| CA1 | C1 | O11 | O12 | 179.1° | 180.0° |
| CA1 | C1 | O12 | H12 | 180.0° | 179.9° |
| C1 | CA1 | CB1 | CG1 | 57.8° | 180.0° |
| C1 | CA1 | CB1 | HB11 | 176.9° | 60.0° |
| C1 | CA1 | CB1 | HB12 | 67.4° | 60.0° |
| CB1 | CA1 | C1 | O11 | 117.7° | 90.0° |
| CB1 | CA1 | C1 | O12 | 61.5° | 90.0° |
| CA1 | CB1 | CG1 | HB11 | 125.3° | 120.1° |
| CA1 | CB1 | CG1 | HB12 | 125.3° | 120.0° |
| CA1 | CB1 | HB11 | HB12 | 117.0° | 120.0° |
| CA1 | CB1 | CG1 | CD1 | 179.4° | 180.0° |
| CA1 | CB1 | CG1 | HG11 | 55.4° | 60.0° |
| CA1 | CB1 | CG1 | HG12 | 54.1° | 60.0° |
| HA1 | CA1 | C1 | O11 | 123.1° | 150.0° |
| HA1 | CA1 | C1 | O12 | 57.7° | 30.0° |
| HA1 | CA1 | CB1 | CG1 | 174.5° | 59.9° |
| HA1 | CA1 | CB1 | HB11 | 60.3° | 180.0° |
| HA1 | CA1 | CB1 | HB12 | 49.2° | 60.1° |
| O11 | C1 | O12 | H12 | 0.9° | 0.1° |
| CG1 | CB1 | HB11 | HB12 | 117.0° | 120.0° |
| CB1 | CG1 | CD1 | HG11 | 125.2° | 120.1° |
| CB1 | CG1 | CD1 | HG12 | 125.3° | 120.0° |
| CB1 | CG1 | HG11 | HG12 | 117.8° | 120.0° |
| CB1 | CG1 | CD1 | OE1 | 37.9° | 0.1° |
| CB1 | CG1 | CD1 | N2 | 143.2° | 180.0° |
| HB11 | CB1 | CG1 | CD1 | 54.1° | 59.9° |
| HB11 | CB1 | CG1 | HG11 | 179.4° | 180.0° |
| HB11 | CB1 | CG1 | HG12 | 71.1° | 60.1° |
| HB12 | CB1 | CG1 | CD1 | 55.3° | 60.0° |
| HB12 | CB1 | CG1 | HG11 | 69.9° | 60.0° |
| HB12 | CB1 | CG1 | HG12 | 179.4° | 180.0° |
| CD1 | CG1 | HG11 | HG12 | 117.8° | 120.0° |
| CG1 | CD1 | OE1 | N2 | 178.8° | 179.9° |
| CG1 | CD1 | N2 | CA2 | 178.5° | 179.9° |
| CG1 | CD1 | N2 | H2 | 1.5° | 0.0° |
| HG11 | CG1 | CD1 | OE1 | 163.2° | 119.9° |
| HG11 | CG1 | CD1 | N2 | 17.9° | 60.0° |
| HG12 | CG1 | CD1 | OE1 | 87.4° | 120.2° |
| HG12 | CG1 | CD1 | N2 | 91.5° | 60.0° |
| OE1 | CD1 | N2 | CA2 | 0.4° | 0.0° |
| OE1 | CD1 | N2 | H2 | 179.6° | 179.9° |
| CD1 | N2 | CA2 | H2 | 180.0° | 180.0° |
| CD1 | N2 | CA2 | C2 | 120.0° | 90.0° |
| CD1 | N2 | CA2 | CB2 | 118.7° | 150.0° |
| CD1 | N2 | CA2 | HA2 | 1.7° | 29.9° |
| N2 | CA2 | C2 | CB2 | 120.3° | 120.1° |
| N2 | CA2 | C2 | HA2 | 119.3° | 119.9° |
| N2 | CA2 | CB2 | HA2 | 119.4° | 120.0° |
| N2 | CA2 | C2 | O2 | 9.4° | 149.9° |
| N2 | CA2 | C2 | O3 | 159.4° | 30.0° |
| N2 | CA2 | CB2 | SG2 | 53.1° | 60.0° |
| N2 | CA2 | CB2 | HB21 | 178.3° | 60.0° |
| N2 | CA2 | CB2 | HB22 | 72.2° | 179.9° |
| H2 | N2 | CA2 | C2 | 60.0° | 90.0° |
| H2 | N2 | CA2 | CB2 | 61.3° | 30.0° |
| H2 | N2 | CA2 | HA2 | 178.3° | 150.0° |
| C2 | CA2 | CB2 | HA2 | 118.4° | 120.0° |
| CA2 | C2 | O2 | O3 | 168.2° | 179.9° |
| C2 | CA2 | CB2 | SG2 | 175.2° | 180.0° |
| C2 | CA2 | CB2 | HB21 | 59.5° | 60.0° |
| C2 | CA2 | CB2 | HB22 | 49.9° | 59.9° |
| CA2 | C2 | O3 | H3 | 180.0° | 180.0° |
| CB2 | CA2 | C2 | O2 | 110.9° | 90.0° |
| CB2 | CA2 | C2 | O3 | 80.3° | 90.1° |
| CA2 | CB2 | SG2 | HB21 | 125.3° | 120.0° |
| CA2 | CB2 | SG2 | HB22 | 125.3° | 120.1° |
| CA2 | CB2 | HB21 | HB22 | 117.3° | 120.0° |
| CA2 | CB2 | SG2 | HG2 | 180.0° | 180.0° |
| HA2 | CA2 | C2 | O2 | 128.7° | 30.0° |
| HA2 | CA2 | C2 | O3 | 40.1° | 149.9° |
| HA2 | CA2 | CB2 | SG2 | 66.4° | 60.0° |
| HA2 | CA2 | CB2 | HB21 | 58.9° | 180.0° |
| HA2 | CA2 | CB2 | HB22 | 168.4° | 60.0° |
| O2 | C2 | O3 | H3 | 11.1° | 0.1° |
| SG2 | CB2 | HB21 | HB22 | 117.3° | 120.0° |
| HB21 | CB2 | SG2 | HG2 | 54.7° | 60.0° |
| HB22 | CB2 | SG2 | HG2 | 54.8° | 59.9° |
