6M6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C03 | sing | 1.51Å | 1.50Å | |
| C07 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C01 | sing | 1.53Å | 1.53Å | |
| SG | C02 | sing | 1.76Å | 1.82Å | |
| SG | CB | sing | 1.81Å | 1.80Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| N01 | C02 | sing | 1.35Å | 1.36Å | |
| N01 | C01 | sing | 1.47Å | 1.47Å | |
| C02 | S01 | doub | 1.71Å | 1.58Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| O | C | doub | 1.21Å | 1.22Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.03Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| N01 | H12 | sing | 0.97Å | 1.00Å | |
| C08 | H13 | sing | 1.08Å | 1.08Å | |
| C09 | H14 | sing | 1.08Å | 1.08Å | |
| C04 | H15 | sing | 1.08Å | 1.08Å | |
| C05 | H16 | sing | 1.08Å | 1.08Å | |
| C06 | H17 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C05 | C04 | 120.6° | 120.0° |
| C05 | C06 | C07 | 119.2° | 120.0° |
| C06 | C05 | H16 | 119.7° | 120.0° |
| C05 | C06 | H17 | 120.4° | 120.0° |
| C05 | C04 | C09 | 120.1° | 120.0° |
| C05 | C04 | H15 | 119.9° | 120.0° |
| C04 | C05 | H16 | 119.7° | 120.0° |
| C06 | C07 | C03 | 119.5° | 120.0° |
| C06 | C07 | C08 | 120.1° | 120.0° |
| C07 | C06 | H17 | 120.4° | 120.0° |
| C04 | C09 | C08 | 119.6° | 120.0° |
| C04 | C09 | H14 | 120.2° | 120.0° |
| C09 | C04 | H15 | 119.9° | 120.0° |
| C03 | C07 | C08 | 120.4° | 120.0° |
| C07 | C03 | C01 | 107.1° | 109.4° |
| C07 | C03 | H10 | 110.1° | 109.5° |
| C07 | C03 | H11 | 110.1° | 109.5° |
| C07 | C08 | C09 | 120.5° | 120.0° |
| C07 | C08 | H13 | 119.8° | 120.0° |
| C09 | C08 | H13 | 119.8° | 120.0° |
| C08 | C09 | H14 | 120.2° | 120.1° |
| C03 | C01 | N01 | 110.1° | 109.4° |
| C03 | C01 | H8 | 109.3° | 109.5° |
| C03 | C01 | H9 | 109.3° | 109.5° |
| C01 | C03 | H10 | 110.1° | 109.5° |
| C01 | C03 | H11 | 110.0° | 109.5° |
| C02 | SG | CB | 101.3° | 100.0° |
| SG | C02 | N01 | 110.1° | 120.0° |
| SG | C02 | S01 | 119.9° | 120.0° |
| SG | CB | CA | 111.9° | 109.5° |
| SG | CB | HB2 | 108.8° | 109.5° |
| SG | CB | HB3 | 108.9° | 109.5° |
| N | CA | CB | 114.4° | 109.5° |
| N | CA | C | 110.5° | 109.5° |
| N | CA | HA | 109.9° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| C02 | N01 | C01 | 123.5° | 120.0° |
| N01 | C02 | S01 | 130.0° | 120.0° |
| C02 | N01 | H12 | 118.3° | 120.0° |
| N01 | C01 | H8 | 109.3° | 109.5° |
| N01 | C01 | H9 | 109.3° | 109.5° |
| C01 | N01 | H12 | 118.3° | 120.0° |
| CB | CA | C | 103.8° | 109.5° |
| CA | CB | HB2 | 108.9° | 109.4° |
| CA | CB | HB3 | 108.8° | 109.4° |
| CB | CA | HA | 108.9° | 109.5° |
| CA | C | O | 120.5° | 120.0° |
| C | CA | HA | 109.1° | 109.5° |
| CA | C | OXT | 119.8° | 120.0° |
| O | C | OXT | 119.7° | 120.0° |
| HB2 | CB | HB3 | 109.5° | 109.4° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.4° | 110.9° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H10 | C03 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C05 | C04 | H16 | 180.0° | 179.3° |
| C05 | C06 | C07 | H17 | 180.0° | 179.4° |
| C06 | C05 | C04 | C09 | 0.1° | 0.4° |
| C05 | C06 | C07 | C03 | 179.9° | 179.7° |
| C05 | C06 | C07 | C08 | 0.0° | 0.7° |
| C06 | C05 | C04 | H15 | 179.9° | 179.7° |
| C04 | C05 | C06 | C07 | 0.1° | 0.7° |
| C05 | C04 | C09 | H15 | 180.0° | 179.9° |
| C05 | C04 | C09 | C08 | 0.0° | 0.1° |
| C05 | C04 | C09 | H14 | 180.0° | 180.0° |
| C04 | C05 | C06 | H17 | 179.9° | 180.0° |
| C06 | C07 | C03 | C08 | 179.9° | 179.7° |
| C06 | C07 | C08 | C09 | 0.1° | 0.4° |
| C06 | C07 | C03 | C01 | 89.3° | 90.3° |
| C06 | C07 | C03 | H10 | 30.3° | 149.7° |
| C06 | C07 | C03 | H11 | 151.1° | 29.7° |
| C06 | C07 | C08 | H13 | 179.9° | 179.7° |
| C07 | C06 | C05 | H16 | 179.9° | 180.0° |
| C04 | C09 | C08 | C07 | 0.1° | 0.1° |
| C04 | C09 | C08 | H14 | 180.0° | 180.0° |
| C04 | C09 | C08 | H13 | 179.9° | 180.0° |
| C09 | C04 | C05 | H16 | 179.9° | 179.7° |
| C03 | C07 | C08 | C09 | 180.0° | 180.0° |
| C07 | C03 | C01 | H10 | 119.6° | 120.0° |
| C07 | C03 | C01 | H11 | 119.6° | 120.0° |
| C07 | C03 | C01 | N01 | 72.7° | 180.0° |
| C07 | C03 | C01 | H8 | 167.2° | 60.0° |
| C07 | C03 | C01 | H9 | 47.4° | 60.0° |
| C07 | C03 | H10 | H11 | 121.1° | 120.0° |
| C03 | C07 | C08 | H13 | 0.0° | 0.1° |
| C03 | C07 | C06 | H17 | 0.1° | 0.3° |
| C07 | C08 | C09 | H13 | 180.0° | 179.9° |
| C08 | C07 | C03 | C01 | 90.6° | 90.1° |
| C08 | C07 | C03 | H10 | 149.8° | 30.0° |
| C08 | C07 | C03 | H11 | 29.0° | 150.0° |
| C07 | C08 | C09 | H14 | 179.9° | 180.0° |
| C08 | C07 | C06 | H17 | 180.0° | 180.0° |
| C08 | C09 | C04 | H15 | 180.0° | 180.0° |
| C03 | C01 | N01 | C02 | 114.4° | 180.0° |
| C03 | C01 | N01 | H8 | 120.1° | 120.0° |
| C03 | C01 | N01 | H9 | 120.1° | 120.0° |
| C03 | C01 | H8 | H9 | 119.7° | 120.0° |
| C01 | C03 | H10 | H11 | 121.1° | 120.0° |
| C03 | C01 | N01 | H12 | 65.6° | 0.0° |
| SG | C02 | N01 | S01 | 179.3° | 179.9° |
| SG | C02 | N01 | C01 | 179.7° | 180.0° |
| C02 | SG | CB | CA | 55.7° | 180.0° |
| C02 | SG | CB | HB2 | 64.7° | 60.1° |
| C02 | SG | CB | HB3 | 176.0° | 60.0° |
| SG | C02 | N01 | H12 | 0.3° | 0.1° |
| SG | CB | CA | N | 63.3° | 60.0° |
| CB | SG | C02 | N01 | 81.9° | 180.0° |
| CB | SG | C02 | S01 | 98.7° | 0.1° |
| SG | CB | CA | HB2 | 120.4° | 120.0° |
| SG | CB | CA | HB3 | 120.3° | 120.1° |
| SG | CB | CA | C | 176.2° | 180.0° |
| SG | CB | HB2 | HB3 | 118.9° | 120.1° |
| SG | CB | CA | HA | 60.1° | 59.9° |
| N | CA | CB | C | 120.5° | 120.0° |
| N | CA | CB | HA | 123.5° | 120.0° |
| N | CA | C | HA | 121.0° | 119.9° |
| N | CA | C | O | 40.0° | 20.1° |
| N | CA | CB | HB2 | 176.3° | 180.0° |
| N | CA | CB | HB3 | 57.0° | 60.1° |
| N | CA | C | OXT | 140.0° | 160.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| C02 | N01 | C01 | H12 | 180.0° | 179.9° |
| C02 | N01 | C01 | H8 | 125.5° | 60.0° |
| C02 | N01 | C01 | H9 | 5.7° | 60.0° |
| C01 | N01 | C02 | S01 | 1.0° | 0.0° |
| N01 | C01 | H8 | H9 | 119.7° | 120.0° |
| N01 | C01 | C03 | H10 | 46.9° | 60.0° |
| N01 | C01 | C03 | H11 | 167.7° | 60.0° |
| S01 | C02 | N01 | H12 | 179.0° | 180.0° |
| CB | CA | C | HA | 116.0° | 120.0° |
| CB | CA | C | O | 83.1° | 100.0° |
| CA | CB | HB2 | HB3 | 118.9° | 119.9° |
| CB | CA | C | OXT | 96.9° | 80.0° |
| CB | CA | N | H | 180.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 63.9° |
| CA | C | O | OXT | 180.0° | 180.0° |
| C | CA | CB | HB2 | 55.8° | 60.0° |
| C | CA | CB | HB3 | 63.5° | 60.0° |
| C | CA | N | H | 63.3° | 60.1° |
| C | CA | N | H2 | 56.7° | 176.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| O | C | CA | HA | 160.9° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| HB2 | CB | CA | HA | 60.2° | 60.1° |
| HB3 | CB | CA | HA | 179.5° | 180.0° |
| HA | CA | C | OXT | 19.0° | 40.0° |
| HA | CA | N | H | 57.1° | 180.0° |
| HA | CA | N | H2 | 177.1° | 56.1° |
| H8 | C01 | C03 | H10 | 73.1° | 60.0° |
| H8 | C01 | C03 | H11 | 47.6° | 180.0° |
| H8 | C01 | N01 | H12 | 54.5° | 120.0° |
| H9 | C01 | C03 | H10 | 167.1° | 180.0° |
| H9 | C01 | C03 | H11 | 72.2° | 60.0° |
| H9 | C01 | N01 | H12 | 174.3° | 120.0° |
| H13 | C08 | C09 | H14 | 0.0° | 0.0° |
| H14 | C09 | C04 | H15 | 0.0° | 0.1° |
| H15 | C04 | C05 | H16 | 0.1° | 0.4° |
| H16 | C05 | C06 | H17 | 0.1° | 0.6° |
