SEM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | sing | 1.34Å | 1.52Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.50Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CB | OG | sing | 1.43Å | 1.43Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| OG | C' | sing | 1.43Å | 1.43Å | |
| C' | C1' | sing | 1.51Å | 1.50Å | |
| C' | H'1 | sing | 1.09Å | 1.10Å | |
| C' | H'2 | sing | 1.09Å | 1.10Å | |
| C1' | C2' | doub | 1.38Å | 1.39Å | Aromatic |
| C1' | C6' | sing | 1.38Å | 1.38Å | Aromatic |
| C2' | C3' | sing | 1.38Å | 1.38Å | Aromatic |
| C2' | H2' | sing | 1.08Å | 1.08Å | |
| C3' | C4' | doub | 1.38Å | 1.38Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.08Å | |
| C4' | C5' | sing | 1.38Å | 1.40Å | Aromatic |
| C4' | H4' | sing | 1.08Å | 1.08Å | |
| C5' | C6' | doub | 1.38Å | 1.38Å | Aromatic |
| C5' | H5' | sing | 1.08Å | 1.08Å | |
| C6' | H6' | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | OXT | HXT | 109.5° | 117.0° |
| OXT | C | O | 119.3° | 120.0° |
| OXT | C | CA | 119.2° | 120.0° |
| O | C | CA | 120.7° | 120.0° |
| C | CA | N | 109.4° | 109.4° |
| C | CA | CB | 109.1° | 109.4° |
| C | CA | HA | 110.2° | 109.5° |
| N | CA | CB | 110.7° | 109.5° |
| N | CA | HA | 108.5° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 110.9° |
| CB | CA | HA | 108.9° | 109.5° |
| CA | CB | OG | 110.4° | 109.4° |
| CA | CB | HB2 | 109.2° | 109.5° |
| CA | CB | HB3 | 109.2° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| OG | CB | HB2 | 109.2° | 109.4° |
| OG | CB | HB3 | 109.2° | 109.4° |
| CB | OG | C' | 112.1° | 114.0° |
| HB2 | CB | HB3 | 109.7° | 109.5° |
| OG | C' | C1' | 102.8° | 109.5° |
| OG | C' | H'1 | 111.7° | 109.4° |
| OG | C' | H'2 | 111.8° | 109.4° |
| C1' | C' | H'1 | 111.8° | 109.5° |
| C1' | C' | H'2 | 111.8° | 109.5° |
| C' | C1' | C2' | 120.5° | 120.0° |
| C' | C1' | C6' | 120.8° | 120.0° |
| H'1 | C' | H'2 | 107.1° | 109.5° |
| C2' | C1' | C6' | 118.7° | 120.0° |
| C1' | C2' | C3' | 121.5° | 120.0° |
| C1' | C2' | H2' | 119.2° | 120.0° |
| C1' | C6' | C5' | 120.7° | 120.0° |
| C1' | C6' | H6' | 119.7° | 120.0° |
| C3' | C2' | H2' | 119.2° | 120.0° |
| C2' | C3' | C4' | 119.5° | 120.0° |
| C2' | C3' | H3' | 120.2° | 120.0° |
| C4' | C3' | H3' | 120.3° | 120.0° |
| C3' | C4' | C5' | 119.7° | 120.0° |
| C3' | C4' | H4' | 120.1° | 119.9° |
| C5' | C4' | H4' | 120.2° | 120.0° |
| C4' | C5' | C6' | 119.9° | 120.0° |
| C4' | C5' | H5' | 120.1° | 120.0° |
| C6' | C5' | H5' | 120.1° | 120.0° |
| C5' | C6' | H6' | 119.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | CA | 170.2° | 179.9° |
| OXT | C | CA | N | 23.4° | 160.0° |
| OXT | C | CA | CB | 97.8° | 80.1° |
| OXT | C | CA | HA | 142.7° | 40.0° |
| HXT | OXT | C | O | 0.0° | 0.1° |
| HXT | OXT | C | CA | 170.3° | 180.0° |
| O | C | CA | N | 166.4° | 20.0° |
| O | C | CA | CB | 72.4° | 100.0° |
| O | C | CA | HA | 47.1° | 140.0° |
| C | CA | N | CB | 120.2° | 119.9° |
| C | CA | N | HA | 120.3° | 120.0° |
| C | CA | CB | HA | 120.3° | 120.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.1° |
| C | CA | CB | OG | 41.6° | 175.0° |
| C | CA | CB | HB2 | 78.4° | 65.0° |
| C | CA | CB | HB3 | 161.6° | 55.1° |
| N | CA | CB | HA | 119.3° | 120.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | OG | 78.9° | 65.0° |
| N | CA | CB | HB2 | 161.1° | 54.9° |
| N | CA | CB | HB3 | 41.1° | 175.0° |
| CB | CA | N | H | 59.8° | 59.9° |
| CB | CA | N | H2 | 179.7° | 64.0° |
| CA | CB | OG | HB2 | 120.0° | 120.0° |
| CA | CB | OG | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 119.7° | 120.1° |
| CA | CB | OG | C' | 138.8° | 180.0° |
| HA | CA | N | H | 59.7° | 180.0° |
| HA | CA | N | H2 | 60.3° | 56.1° |
| HA | CA | CB | OG | 161.9° | 55.0° |
| HA | CA | CB | HB2 | 41.8° | 175.0° |
| HA | CA | CB | HB3 | 78.1° | 64.9° |
| OG | CB | HB2 | HB3 | 119.6° | 120.0° |
| CB | OG | C' | C1' | 178.9° | 180.0° |
| CB | OG | C' | H'1 | 61.1° | 60.0° |
| CB | OG | C' | H'2 | 58.9° | 60.0° |
| HB2 | CB | OG | C' | 101.2° | 60.0° |
| HB3 | CB | OG | C' | 18.8° | 60.0° |
| OG | C' | C1' | H'1 | 120.0° | 119.9° |
| OG | C' | C1' | H'2 | 120.0° | 120.0° |
| OG | C' | H'1 | H'2 | 122.7° | 119.9° |
| OG | C' | C1' | C2' | 54.2° | 90.0° |
| OG | C' | C1' | C6' | 124.7° | 90.3° |
| C1' | C' | H'1 | H'2 | 122.7° | 120.1° |
| C' | C1' | C2' | C6' | 178.9° | 179.7° |
| C' | C1' | C2' | C3' | 178.2° | 180.0° |
| C' | C1' | C2' | H2' | 1.9° | 0.1° |
| C' | C1' | C6' | C5' | 178.6° | 179.8° |
| C' | C1' | C6' | H6' | 1.4° | 0.1° |
| H'1 | C' | C1' | C2' | 174.2° | 29.9° |
| H'1 | C' | C1' | C6' | 4.7° | 149.7° |
| H'2 | C' | C1' | C2' | 65.8° | 150.0° |
| H'2 | C' | C1' | C6' | 115.3° | 29.7° |
| C1' | C2' | C3' | H2' | 180.0° | 179.9° |
| C1' | C2' | C3' | C4' | 0.5° | 0.1° |
| C1' | C2' | C3' | H3' | 179.5° | 179.9° |
| C2' | C1' | C6' | C5' | 0.3° | 0.6° |
| C2' | C1' | C6' | H6' | 179.7° | 179.7° |
| C6' | C1' | C2' | C3' | 0.8° | 0.3° |
| C6' | C1' | C2' | H2' | 179.2° | 179.7° |
| C1' | C6' | C5' | C4' | 0.3° | 0.5° |
| C1' | C6' | C5' | H6' | 180.0° | 179.7° |
| C1' | C6' | C5' | H5' | 179.7° | 179.7° |
| C2' | C3' | C4' | H3' | 180.0° | 180.0° |
| C2' | C3' | C4' | C5' | 0.2° | 0.0° |
| C2' | C3' | C4' | H4' | 179.8° | 180.0° |
| H2' | C2' | C3' | C4' | 179.5° | 180.0° |
| H2' | C2' | C3' | H3' | 0.5° | 0.0° |
| C3' | C4' | C5' | H4' | 180.0° | 180.0° |
| C3' | C4' | C5' | C6' | 0.6° | 0.2° |
| C3' | C4' | C5' | H5' | 179.4° | 180.0° |
| H3' | C3' | C4' | C5' | 179.8° | 180.0° |
| H3' | C3' | C4' | H4' | 0.2° | 0.0° |
| C4' | C5' | C6' | H5' | 180.0° | 179.8° |
| C4' | C5' | C6' | H6' | 179.7° | 179.8° |
| H4' | C4' | C5' | C6' | 179.4° | 179.8° |
| H4' | C4' | C5' | H5' | 0.6° | 0.0° |
| H5' | C5' | C6' | H6' | 0.3° | 0.0° |
