X6E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD1 | CG1 | sing | 1.53Å | 1.51Å | |
| CB1 | CG1 | sing | 1.53Å | 1.52Å | |
| CB1 | CA | sing | 1.53Å | 1.52Å | |
| CB2 | CA | sing | 1.53Å | 1.52Å | |
| CB2 | CG2 | sing | 1.53Å | 1.52Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.32Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CB1 | HB12 | sing | 1.09Å | 1.10Å | |
| CB1 | HB11 | sing | 1.09Å | 1.10Å | |
| CB2 | HB21 | sing | 1.09Å | 1.10Å | |
| CB2 | HB22 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG2 | HG21 | sing | 1.09Å | 1.10Å | |
| CG2 | HG22 | sing | 1.09Å | 1.10Å | |
| CG2 | HG23 | sing | 1.09Å | 1.10Å | |
| CD1 | HD13 | sing | 1.09Å | 1.10Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD1 | CG1 | CB1 | 110.1° | 109.5° |
| CD1 | CG1 | HG12 | 109.3° | 109.5° |
| CD1 | CG1 | HG11 | 109.3° | 109.5° |
| CG1 | CD1 | HD13 | 109.5° | 109.5° |
| CG1 | CD1 | HD11 | 109.5° | 109.5° |
| CG1 | CD1 | HD12 | 109.5° | 109.5° |
| CG1 | CB1 | CA | 111.5° | 109.5° |
| CG1 | CB1 | HB12 | 109.0° | 109.5° |
| CG1 | CB1 | HB11 | 108.9° | 109.4° |
| CB1 | CG1 | HG12 | 109.3° | 109.5° |
| CB1 | CG1 | HG11 | 109.3° | 109.4° |
| CB1 | CA | CB2 | 107.7° | 109.5° |
| CB1 | CA | N | 111.1° | 109.5° |
| CB1 | CA | C | 109.9° | 109.5° |
| CA | CB1 | HB12 | 109.0° | 109.5° |
| CA | CB1 | HB11 | 109.0° | 109.5° |
| CA | CB2 | CG2 | 110.5° | 109.5° |
| CB2 | CA | N | 109.7° | 109.5° |
| CB2 | CA | C | 110.2° | 109.5° |
| CA | CB2 | HB21 | 109.2° | 109.5° |
| CA | CB2 | HB22 | 109.2° | 109.5° |
| CG2 | CB2 | HB21 | 109.2° | 109.5° |
| CG2 | CB2 | HB22 | 109.2° | 109.5° |
| CB2 | CG2 | HG21 | 109.5° | 109.4° |
| CB2 | CG2 | HG22 | 109.5° | 109.5° |
| CB2 | CG2 | HG23 | 109.4° | 109.4° |
| N | CA | C | 108.1° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | C | O | 120.6° | 120.0° |
| CA | C | OXT | 116.7° | 120.0° |
| O | C | OXT | 122.6° | 120.0° |
| C | OXT | HXT | 109.5° | 116.9° |
| H | N | H2 | 109.5° | 111.0° |
| HB12 | CB1 | HB11 | 109.5° | 109.5° |
| HB21 | CB2 | HB22 | 109.5° | 109.4° |
| HG12 | CG1 | HG11 | 109.5° | 109.5° |
| HG21 | CG2 | HG22 | 109.5° | 109.4° |
| HG21 | CG2 | HG23 | 109.5° | 109.5° |
| HG22 | CG2 | HG23 | 109.5° | 109.5° |
| HD13 | CD1 | HD11 | 109.5° | 109.5° |
| HD13 | CD1 | HD12 | 109.4° | 109.4° |
| HD11 | CD1 | HD12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD1 | CG1 | CB1 | HG12 | 120.1° | 120.0° |
| CD1 | CG1 | CB1 | HG11 | 120.1° | 120.0° |
| CD1 | CG1 | CB1 | CA | 175.7° | 180.0° |
| CD1 | CG1 | CB1 | HB12 | 63.9° | 60.0° |
| CD1 | CG1 | CB1 | HB11 | 55.4° | 60.0° |
| CD1 | CG1 | HG12 | HG11 | 119.7° | 120.0° |
| CG1 | CD1 | HD13 | HD11 | 120.0° | 120.0° |
| CG1 | CD1 | HD13 | HD12 | 120.0° | 120.0° |
| CG1 | CD1 | HD11 | HD12 | 120.0° | 120.0° |
| CG1 | CB1 | CA | HB12 | 120.3° | 120.0° |
| CG1 | CB1 | CA | HB11 | 120.3° | 120.0° |
| CG1 | CB1 | CA | CB2 | 178.5° | 60.0° |
| CG1 | CB1 | CA | N | 61.2° | 60.0° |
| CG1 | CB1 | CA | C | 58.5° | 180.0° |
| CG1 | CB1 | HB12 | HB11 | 119.1° | 120.0° |
| CB1 | CG1 | HG12 | HG11 | 119.7° | 120.0° |
| CB1 | CG1 | CD1 | HD13 | 180.0° | 60.0° |
| CB1 | CG1 | CD1 | HD11 | 60.0° | 60.0° |
| CB1 | CG1 | CD1 | HD12 | 60.0° | 180.0° |
| CB1 | CA | CB2 | N | 121.1° | 120.0° |
| CB1 | CA | CB2 | C | 119.9° | 120.0° |
| CB1 | CA | CB2 | CG2 | 179.7° | 60.0° |
| CB1 | CA | N | C | 120.8° | 120.0° |
| CB1 | CA | C | O | 109.0° | 25.0° |
| CB1 | CA | C | OXT | 70.2° | 155.0° |
| CB1 | CA | N | H | 180.0° | 63.9° |
| CB1 | CA | N | H2 | 60.0° | 60.0° |
| CA | CB1 | HB12 | HB11 | 119.1° | 120.0° |
| CB1 | CA | CB2 | HB21 | 59.6° | 60.0° |
| CB1 | CA | CB2 | HB22 | 60.1° | 180.0° |
| CA | CB1 | CG1 | HG12 | 55.6° | 60.0° |
| CA | CB1 | CG1 | HG11 | 64.2° | 60.0° |
| CA | CB2 | CG2 | HB21 | 120.2° | 120.0° |
| CA | CB2 | CG2 | HB22 | 120.1° | 120.0° |
| CB2 | CA | N | C | 120.2° | 120.0° |
| CB2 | CA | C | O | 132.4° | 95.0° |
| CB2 | CA | C | OXT | 48.4° | 85.0° |
| CB2 | CA | N | H | 60.9° | 56.0° |
| CB2 | CA | N | H2 | 59.1° | 180.0° |
| CB2 | CA | CB1 | HB12 | 58.2° | 60.0° |
| CB2 | CA | CB1 | HB11 | 61.2° | 180.0° |
| CA | CB2 | HB21 | HB22 | 119.5° | 120.0° |
| CA | CB2 | CG2 | HG21 | 180.0° | 180.0° |
| CA | CB2 | CG2 | HG22 | 60.0° | 60.0° |
| CA | CB2 | CG2 | HG23 | 60.0° | 60.0° |
| CG2 | CB2 | CA | N | 59.1° | 180.0° |
| CG2 | CB2 | CA | C | 59.8° | 60.0° |
| CG2 | CB2 | HB21 | HB22 | 119.5° | 120.0° |
| CB2 | CG2 | HG21 | HG22 | 120.0° | 120.0° |
| CB2 | CG2 | HG21 | HG23 | 120.0° | 120.0° |
| CB2 | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| N | CA | C | O | 12.5° | 145.0° |
| N | CA | C | OXT | 168.3° | 35.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB1 | HB12 | 178.4° | 180.0° |
| N | CA | CB1 | HB11 | 59.0° | 60.0° |
| N | CA | CB2 | HB21 | 179.3° | 59.9° |
| N | CA | CB2 | HB22 | 61.0° | 60.0° |
| CA | C | O | OXT | 179.2° | 180.0° |
| C | CA | N | H | 59.2° | 176.1° |
| C | CA | N | H2 | 179.2° | 60.0° |
| C | CA | CB1 | HB12 | 61.9° | 60.0° |
| C | CA | CB1 | HB11 | 178.7° | 60.0° |
| C | CA | CB2 | HB21 | 60.4° | 180.0° |
| C | CA | CB2 | HB22 | 179.9° | 60.0° |
| CA | C | OXT | HXT | 179.2° | 180.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| HB12 | CB1 | CG1 | HG12 | 176.0° | 180.0° |
| HB12 | CB1 | CG1 | HG11 | 56.1° | 60.0° |
| HB11 | CB1 | CG1 | HG12 | 64.7° | 60.0° |
| HB11 | CB1 | CG1 | HG11 | 175.5° | 180.0° |
| HB21 | CB2 | CG2 | HG21 | 59.8° | 60.0° |
| HB21 | CB2 | CG2 | HG22 | 179.8° | 180.0° |
| HB21 | CB2 | CG2 | HG23 | 60.2° | 60.0° |
| HB22 | CB2 | CG2 | HG21 | 59.9° | 60.0° |
| HB22 | CB2 | CG2 | HG22 | 60.1° | 60.0° |
| HB22 | CB2 | CG2 | HG23 | 179.9° | 180.0° |
| HG12 | CG1 | CD1 | HD13 | 59.9° | 180.0° |
| HG12 | CG1 | CD1 | HD11 | 60.1° | 60.0° |
| HG12 | CG1 | CD1 | HD12 | 179.9° | 60.1° |
| HG11 | CG1 | CD1 | HD13 | 59.9° | 60.0° |
| HG11 | CG1 | CD1 | HD11 | 179.9° | 180.0° |
| HG11 | CG1 | CD1 | HD12 | 60.1° | 60.0° |
| HG21 | CG2 | HG22 | HG23 | 120.0° | 120.1° |
| HD13 | CD1 | HD11 | HD12 | 120.0° | 120.0° |
