6G5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| CB | C8 | sing | 1.51Å | 1.54Å | |
| C7 | C8 | doub | 1.34Å | 1.33Å | Aromatic |
| C7 | N1 | sing | 1.37Å | 1.33Å | Aromatic |
| C8 | C6 | sing | 1.46Å | 1.34Å | Aromatic |
| CL1 | C1 | sing | 1.74Å | 1.73Å | |
| N1 | C5 | sing | 1.38Å | 1.33Å | Aromatic |
| C6 | C1 | doub | 1.40Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.34Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.33Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 125.4° | 120.0° |
| O | C | CA | 116.7° | 120.0° |
| OXT | C | CA | 117.9° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| C | CA | CB | 113.4° | 109.5° |
| C | CA | N | 110.5° | 109.5° |
| C | CA | HA | 106.6° | 109.5° |
| CB | CA | N | 112.0° | 109.4° |
| CA | CB | C8 | 111.5° | 109.5° |
| CB | CA | HA | 106.6° | 109.5° |
| CA | CB | HB1 | 109.0° | 109.4° |
| CA | CB | HB2 | 109.0° | 109.4° |
| N | CA | HA | 107.3° | 109.5° |
| CA | N | H | 109.5° | 110.9° |
| CA | N | H2 | 109.5° | 111.0° |
| CB | C8 | C7 | 123.8° | 126.5° |
| CB | C8 | C6 | 126.3° | 126.5° |
| C8 | CB | HB1 | 109.0° | 109.5° |
| C8 | CB | HB2 | 109.0° | 109.5° |
| C8 | C7 | N1 | 106.9° | 109.9° |
| C7 | C8 | C6 | 109.9° | 107.0° |
| C8 | C7 | H3 | 126.6° | 125.0° |
| C7 | N1 | C5 | 108.7° | 109.9° |
| C7 | N1 | H1 | 125.6° | 125.0° |
| N1 | C7 | H3 | 126.6° | 125.1° |
| C8 | C6 | C1 | 134.0° | 134.0° |
| C8 | C6 | C5 | 105.9° | 106.1° |
| CL1 | C1 | C6 | 123.1° | 120.1° |
| CL1 | C1 | C2 | 116.3° | 120.2° |
| N1 | C5 | C6 | 108.5° | 107.1° |
| N1 | C5 | C4 | 129.9° | 133.4° |
| C5 | N1 | H1 | 125.7° | 125.1° |
| C1 | C6 | C5 | 120.1° | 119.9° |
| C6 | C1 | C2 | 120.6° | 119.7° |
| C6 | C5 | C4 | 121.5° | 119.5° |
| C1 | C2 | C3 | 118.9° | 120.4° |
| C1 | C2 | H11 | 120.5° | 119.8° |
| C5 | C4 | C3 | 120.5° | 119.9° |
| C5 | C4 | H4 | 119.8° | 120.0° |
| C2 | C3 | C4 | 118.4° | 120.7° |
| C3 | C2 | H11 | 120.5° | 119.8° |
| C2 | C3 | H12 | 120.8° | 119.6° |
| C3 | C4 | H4 | 119.7° | 120.1° |
| C4 | C3 | H12 | 120.8° | 119.6° |
| H | N | H2 | 109.4° | 111.0° |
| HB1 | CB | HB2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 176.4° | 179.9° |
| O | C | CA | CB | 80.4° | 100.0° |
| O | C | CA | N | 152.9° | 19.9° |
| O | C | CA | HA | 36.6° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| OXT | C | CA | CB | 102.9° | 80.1° |
| OXT | C | CA | N | 23.9° | 160.0° |
| OXT | C | CA | HA | 140.1° | 39.9° |
| C | CA | CB | N | 125.9° | 120.0° |
| C | CA | CB | HA | 117.0° | 120.1° |
| C | CA | N | HA | 115.8° | 120.1° |
| C | CA | CB | C8 | 77.2° | 174.7° |
| CA | C | OXT | HXT | 176.5° | 180.0° |
| C | CA | N | H | 180.0° | 63.1° |
| C | CA | N | H2 | 60.0° | 60.9° |
| C | CA | CB | HB1 | 43.1° | 54.7° |
| C | CA | CB | HB2 | 162.5° | 65.3° |
| CB | CA | N | HA | 116.7° | 119.9° |
| CA | CB | C8 | HB1 | 120.3° | 119.9° |
| CA | CB | C8 | HB2 | 120.3° | 120.0° |
| CA | CB | C8 | C7 | 65.0° | 95.9° |
| CA | CB | C8 | C6 | 116.5° | 84.5° |
| CB | CA | N | H | 52.5° | 177.0° |
| CB | CA | N | H2 | 172.5° | 59.1° |
| CA | CB | HB1 | HB2 | 119.1° | 120.0° |
| N | CA | CB | C8 | 48.7° | 65.3° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HB1 | 169.0° | 174.7° |
| N | CA | CB | HB2 | 71.6° | 54.7° |
| CB | C8 | C7 | C6 | 178.7° | 179.6° |
| CB | C8 | C7 | N1 | 179.6° | 180.0° |
| CB | C8 | C6 | C1 | 1.5° | 0.2° |
| CB | C8 | C6 | C5 | 179.6° | 179.8° |
| CB | C8 | C7 | H3 | 0.3° | 0.4° |
| C8 | CB | CA | HA | 165.8° | 54.6° |
| C8 | CB | HB1 | HB2 | 119.1° | 120.1° |
| C8 | C7 | N1 | H3 | 180.0° | 179.6° |
| C8 | C7 | N1 | C5 | 0.6° | 0.4° |
| C7 | C8 | C6 | C1 | 179.8° | 179.8° |
| C7 | C8 | C6 | C5 | 0.9° | 0.2° |
| C8 | C7 | N1 | H1 | 179.4° | 179.9° |
| C7 | C8 | CB | HB1 | 55.3° | 144.1° |
| C7 | C8 | CB | HB2 | 174.7° | 24.1° |
| N1 | C7 | C8 | C6 | 1.0° | 0.4° |
| C7 | N1 | C5 | H1 | 180.0° | 179.8° |
| C7 | N1 | C5 | C6 | 0.0° | 0.2° |
| C7 | N1 | C5 | C4 | 179.5° | 179.8° |
| C8 | C6 | C1 | CL1 | 1.4° | 0.0° |
| C8 | C6 | C5 | N1 | 0.5° | 0.0° |
| C8 | C6 | C1 | C5 | 178.7° | 180.0° |
| C8 | C6 | C1 | C2 | 178.9° | 180.0° |
| C8 | C6 | C5 | C4 | 179.0° | 180.0° |
| C6 | C8 | C7 | H3 | 179.0° | 180.0° |
| C6 | C8 | CB | HB1 | 123.2° | 35.4° |
| C6 | C8 | CB | HB2 | 3.8° | 155.5° |
| CL1 | C1 | C6 | C2 | 179.7° | 180.0° |
| CL1 | C1 | C6 | C5 | 179.8° | 180.0° |
| CL1 | C1 | C2 | C3 | 179.9° | 180.0° |
| CL1 | C1 | C2 | H11 | 0.1° | 0.0° |
| N1 | C5 | C6 | C1 | 179.6° | 180.0° |
| N1 | C5 | C6 | C4 | 179.5° | 180.0° |
| N1 | C5 | C4 | C3 | 179.7° | 180.0° |
| N1 | C5 | C4 | H4 | 0.3° | 0.0° |
| C5 | N1 | C7 | H3 | 179.4° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C6 | C1 | C2 | C3 | 0.2° | 0.0° |
| C6 | C1 | C2 | H11 | 179.8° | 180.0° |
| C5 | C6 | C1 | C2 | 0.2° | 0.0° |
| C6 | C5 | C4 | C3 | 0.2° | 0.0° |
| C6 | C5 | N1 | H1 | 180.0° | 180.0° |
| C6 | C5 | C4 | H4 | 179.7° | 180.0° |
| C1 | C2 | C3 | H11 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C1 | C2 | C3 | H12 | 179.9° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.1° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C4 | C5 | N1 | H1 | 0.5° | 0.0° |
| C5 | C4 | C3 | H12 | 179.8° | 180.0° |
| C2 | C3 | C4 | H12 | 180.0° | 179.9° |
| C2 | C3 | C4 | H4 | 179.8° | 179.9° |
| C4 | C3 | C2 | H11 | 179.9° | 180.0° |
| H1 | N1 | C7 | H3 | 0.6° | 0.2° |
| H4 | C4 | C3 | H12 | 0.2° | 0.0° |
| HA | CA | N | H | 64.2° | 57.0° |
| HA | CA | N | H2 | 55.8° | 179.0° |
| HA | CA | CB | HB1 | 73.9° | 65.4° |
| HA | CA | CB | HB2 | 45.5° | 174.6° |
| H11 | C2 | C3 | H12 | 0.1° | 0.0° |
