LEX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CAC | sing | 1.51Å | 1.53Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CG | CD2 | sing | 1.53Å | 1.53Å | |
| CG | CD1 | sing | 1.53Å | 1.53Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | OXT | sing | 1.43Å | 1.43Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1A | sing | 1.09Å | 1.10Å | |
| CD1 | HD1B | sing | 1.09Å | 1.10Å | |
| CD2 | HD2 | sing | 1.09Å | 1.10Å | |
| CD2 | HD2A | sing | 1.09Å | 1.10Å | |
| CD2 | HD2B | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | C | CA | 119.2° | 120.0° |
| CAC | C | O | 120.4° | 120.0° |
| C | CAC | HAC | 109.5° | 109.4° |
| C | CAC | OXT | 109.5° | 109.5° |
| C | CAC | HACA | 109.5° | 109.5° |
| CA | C | O | 120.4° | 120.0° |
| C | CA | N | 109.5° | 109.5° |
| C | CA | HA | 109.5° | 109.5° |
| C | CA | CB | 109.5° | 109.4° |
| HN | N | CA | 109.5° | 111.0° |
| HN | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 109.4° | 109.5° |
| N | CA | CB | 109.5° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| HA | CA | CB | 109.5° | 109.5° |
| CA | CB | HB | 109.5° | 109.4° |
| CA | CB | HBA | 109.4° | 109.5° |
| CA | CB | CG | 109.5° | 109.5° |
| HB | CB | HBA | 109.5° | 109.5° |
| HB | CB | CG | 109.5° | 109.5° |
| HBA | CB | CG | 109.5° | 109.5° |
| CB | CG | CD2 | 111.0° | 109.4° |
| CB | CG | CD1 | 111.0° | 109.5° |
| CB | CG | HG | 107.9° | 109.5° |
| CD2 | CG | CD1 | 111.0° | 109.5° |
| CD2 | CG | HG | 107.9° | 109.5° |
| CG | CD2 | HD2 | 109.5° | 109.5° |
| CG | CD2 | HD2A | 109.5° | 109.5° |
| CG | CD2 | HD2B | 109.5° | 109.5° |
| CD1 | CG | HG | 107.9° | 109.5° |
| CG | CD1 | HD1 | 109.5° | 109.5° |
| CG | CD1 | HD1A | 109.4° | 109.5° |
| CG | CD1 | HD1B | 109.4° | 109.5° |
| HAC | CAC | OXT | 109.5° | 109.5° |
| HAC | CAC | HACA | 109.5° | 109.5° |
| OXT | CAC | HACA | 109.5° | 109.4° |
| CAC | OXT | HXT | 109.5° | 114.0° |
| HD1 | CD1 | HD1A | 109.5° | 109.4° |
| HD1 | CD1 | HD1B | 109.5° | 109.5° |
| HD1A | CD1 | HD1B | 109.5° | 109.5° |
| HD2 | CD2 | HD2A | 109.5° | 109.4° |
| HD2 | CD2 | HD2B | 109.5° | 109.5° |
| HD2A | CD2 | HD2B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | C | CA | O | 179.9° | 179.8° |
| CAC | C | CA | N | 12.1° | 165.0° |
| CAC | C | CA | HA | 132.1° | 45.0° |
| CAC | C | CA | CB | 107.9° | 75.0° |
| C | CAC | HAC | OXT | 120.0° | 120.0° |
| C | CAC | HAC | HACA | 120.0° | 120.0° |
| C | CAC | OXT | HACA | 120.0° | 120.0° |
| C | CAC | OXT | HXT | 180.0° | 180.0° |
| C | CA | N | HN | 180.0° | 63.9° |
| C | CA | N | HA | 120.0° | 120.0° |
| C | CA | N | CB | 120.0° | 120.0° |
| C | CA | HA | CB | 120.0° | 120.0° |
| C | CA | CB | HB | 119.0° | 63.2° |
| C | CA | CB | HBA | 0.9° | 56.8° |
| C | CA | CB | CG | 121.0° | 176.8° |
| CA | C | CAC | HAC | 16.8° | 60.0° |
| CA | C | CAC | OXT | 103.1° | 180.0° |
| CA | C | CAC | HACA | 136.8° | 60.0° |
| C | CA | N | H2 | 60.0° | 59.9° |
| HN | N | CA | H2 | 120.0° | 123.9° |
| HN | N | CA | HA | 60.0° | 56.1° |
| HN | N | CA | CB | 60.0° | 176.1° |
| O | C | CA | N | 167.9° | 15.2° |
| O | C | CA | HA | 47.9° | 135.3° |
| O | C | CA | CB | 72.1° | 104.8° |
| O | C | CAC | HAC | 163.1° | 119.7° |
| O | C | CAC | OXT | 76.9° | 0.3° |
| O | C | CAC | HACA | 43.1° | 120.2° |
| N | CA | HA | CB | 120.0° | 120.0° |
| N | CA | CB | HB | 1.0° | 56.8° |
| N | CA | CB | HBA | 120.9° | 176.7° |
| N | CA | CB | CG | 119.0° | 63.2° |
| HA | CA | CB | HB | 120.9° | 176.8° |
| HA | CA | CB | HBA | 119.1° | 63.2° |
| HA | CA | CB | CG | 0.9° | 56.8° |
| HA | CA | N | H2 | 60.0° | 179.9° |
| CA | CB | HB | HBA | 120.0° | 120.0° |
| CA | CB | HB | CG | 120.0° | 120.0° |
| CA | CB | HBA | CG | 120.0° | 120.0° |
| CA | CB | CG | CD2 | 133.6° | 65.9° |
| CA | CB | CG | CD1 | 9.7° | 174.2° |
| CA | CB | CG | HG | 108.3° | 54.1° |
| CB | CA | N | H2 | 180.0° | 60.0° |
| HB | CB | HBA | CG | 120.0° | 120.0° |
| HB | CB | CG | CD2 | 13.6° | 174.2° |
| HB | CB | CG | CD1 | 110.3° | 54.2° |
| HB | CB | CG | HG | 131.7° | 65.8° |
| HBA | CB | CG | CD2 | 106.4° | 54.1° |
| HBA | CB | CG | CD1 | 129.7° | 65.8° |
| HBA | CB | CG | HG | 11.7° | 174.1° |
| CB | CG | CD2 | CD1 | 123.9° | 120.0° |
| CB | CG | CD2 | HG | 118.1° | 120.0° |
| CB | CG | CD1 | HG | 118.1° | 120.0° |
| CB | CG | CD1 | HD1 | 180.0° | 177.5° |
| CB | CG | CD1 | HD1A | 60.0° | 62.6° |
| CB | CG | CD1 | HD1B | 60.0° | 57.4° |
| CB | CG | CD2 | HD2 | 180.0° | 60.1° |
| CB | CG | CD2 | HD2A | 60.0° | 180.0° |
| CB | CG | CD2 | HD2B | 60.0° | 60.0° |
| CD2 | CG | CD1 | HG | 118.0° | 120.0° |
| CD2 | CG | CD1 | HD1 | 56.1° | 57.5° |
| CD2 | CG | CD1 | HD1A | 176.1° | 177.5° |
| CD2 | CG | CD1 | HD1B | 63.9° | 62.5° |
| CG | CD2 | HD2 | HD2A | 120.0° | 120.0° |
| CG | CD2 | HD2 | HD2B | 120.0° | 120.1° |
| CG | CD2 | HD2A | HD2B | 120.0° | 120.1° |
| CG | CD1 | HD1 | HD1A | 120.0° | 120.0° |
| CG | CD1 | HD1 | HD1B | 120.0° | 120.0° |
| CG | CD1 | HD1A | HD1B | 120.0° | 120.1° |
| CD1 | CG | CD2 | HD2 | 56.1° | 180.0° |
| CD1 | CG | CD2 | HD2A | 63.9° | 60.1° |
| CD1 | CG | CD2 | HD2B | 176.1° | 59.9° |
| HG | CG | CD1 | HD1 | 61.9° | 62.5° |
| HG | CG | CD1 | HD1A | 58.1° | 57.4° |
| HG | CG | CD1 | HD1B | 178.1° | 177.5° |
| HG | CG | CD2 | HD2 | 61.9° | 59.9° |
| HG | CG | CD2 | HD2A | 178.1° | 60.0° |
| HG | CG | CD2 | HD2B | 58.1° | 180.0° |
| HAC | CAC | OXT | HACA | 120.0° | 120.0° |
| HAC | CAC | OXT | HXT | 60.0° | 60.0° |
| HACA | CAC | OXT | HXT | 60.0° | 60.0° |
| HD1 | CD1 | HD1A | HD1B | 120.0° | 120.0° |
| HD2 | CD2 | HD2A | HD2B | 120.0° | 119.9° |
