CZS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.45Å | |
| CA | C29 | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| C29 | C30 | sing | 1.51Å | 1.50Å | |
| C30 | S | sing | 1.71Å | 1.74Å | Aromatic |
| C30 | N5 | doub | 1.28Å | 1.29Å | Aromatic |
| S | C36 | sing | 1.76Å | 1.74Å | Aromatic |
| C36 | C35 | doub | 1.39Å | 1.39Å | Aromatic |
| C36 | C31 | sing | 1.40Å | 1.40Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | CL | sing | 1.74Å | 1.75Å | |
| C34 | C33 | doub | 1.39Å | 1.38Å | Aromatic |
| C33 | C32 | sing | 1.36Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.41Å | 1.39Å | Aromatic |
| C31 | N5 | sing | 1.35Å | 1.40Å | Aromatic |
| C | O | doub | 1.21Å | 1.23Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C35 | H48 | sing | 1.08Å | 1.08Å | |
| C33 | H47 | sing | 1.08Å | 1.08Å | |
| C32 | H46 | sing | 1.08Å | 1.08Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | C29 | 111.1° | 109.4° |
| N | CA | C | 109.9° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| N | CA | HA | 108.6° | 109.5° |
| CA | N | H2 | 109.4° | 111.0° |
| C29 | CA | C | 111.8° | 109.5° |
| CA | C29 | C30 | 111.8° | 109.5° |
| C29 | CA | HA | 107.6° | 109.5° |
| CA | C29 | H44 | 108.9° | 109.5° |
| CA | C29 | H45 | 108.9° | 109.4° |
| CA | C | O | 120.8° | 120.0° |
| C | CA | HA | 107.6° | 109.5° |
| CA | C | OXT | 115.8° | 120.0° |
| C29 | C30 | S | 120.7° | 124.3° |
| C29 | C30 | N5 | 122.9° | 124.2° |
| C30 | C29 | H44 | 108.9° | 109.5° |
| C30 | C29 | H45 | 108.9° | 109.5° |
| S | C30 | N5 | 116.3° | 111.5° |
| C30 | S | C36 | 88.9° | 90.9° |
| C30 | N5 | C31 | 110.5° | 117.9° |
| S | C36 | C35 | 129.0° | 131.7° |
| S | C36 | C31 | 109.4° | 108.0° |
| C35 | C36 | C31 | 121.6° | 120.2° |
| C36 | C35 | C34 | 117.8° | 120.0° |
| C36 | C35 | H48 | 121.1° | 120.0° |
| C36 | C31 | C32 | 119.1° | 118.6° |
| C36 | C31 | N5 | 114.9° | 111.8° |
| C35 | C34 | CL | 118.8° | 120.0° |
| C35 | C34 | C33 | 122.0° | 120.0° |
| C34 | C35 | H48 | 121.1° | 120.0° |
| CL | C34 | C33 | 119.2° | 120.0° |
| C34 | C33 | C32 | 119.6° | 120.8° |
| C34 | C33 | H47 | 120.2° | 119.6° |
| C33 | C32 | C31 | 120.0° | 120.4° |
| C32 | C33 | H47 | 120.2° | 119.6° |
| C33 | C32 | H46 | 120.0° | 119.8° |
| C32 | C31 | N5 | 126.0° | 129.7° |
| C31 | C32 | H46 | 120.0° | 119.8° |
| O | C | OXT | 123.4° | 120.0° |
| H | N | H2 | 109.5° | 111.0° |
| H44 | C29 | H45 | 109.5° | 109.4° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | C29 | C | 123.2° | 120.0° |
| N | CA | C29 | HA | 118.8° | 120.0° |
| N | CA | C | HA | 118.1° | 120.0° |
| N | CA | C29 | C30 | 55.2° | 65.1° |
| N | CA | C | O | 107.5° | 20.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | C29 | H44 | 65.1° | 55.0° |
| N | CA | C29 | H45 | 175.6° | 175.0° |
| N | CA | C | OXT | 72.1° | 160.0° |
| C29 | CA | C | HA | 118.0° | 120.1° |
| CA | C29 | C30 | H44 | 120.4° | 120.0° |
| CA | C29 | C30 | H45 | 120.3° | 119.9° |
| CA | C29 | C30 | S | 91.5° | 90.0° |
| CA | C29 | C30 | N5 | 84.4° | 89.7° |
| C29 | CA | C | O | 16.4° | 99.9° |
| C29 | CA | N | H | 180.0° | 176.1° |
| CA | C29 | H44 | H45 | 118.9° | 119.9° |
| C29 | CA | N | H2 | 60.0° | 60.0° |
| C29 | CA | C | OXT | 164.0° | 80.1° |
| C | CA | C29 | C30 | 178.5° | 175.0° |
| CA | C | O | OXT | 179.6° | 180.0° |
| C | CA | N | H | 55.7° | 63.9° |
| C | CA | C29 | H44 | 58.1° | 64.9° |
| C | CA | C29 | H45 | 61.2° | 55.0° |
| C | CA | N | H2 | 64.3° | 60.0° |
| CA | C | OXT | HXT | 179.6° | 180.0° |
| C29 | C30 | S | N5 | 176.1° | 179.7° |
| C29 | C30 | S | C36 | 175.4° | 180.0° |
| C29 | C30 | N5 | C31 | 175.1° | 179.7° |
| C30 | C29 | CA | HA | 63.5° | 54.9° |
| C30 | C29 | H44 | H45 | 118.9° | 120.0° |
| C30 | S | C36 | C35 | 178.0° | 180.0° |
| C30 | S | C36 | C31 | 0.3° | 0.1° |
| S | C30 | N5 | C31 | 0.9° | 0.5° |
| S | C30 | C29 | H44 | 28.9° | 150.0° |
| S | C30 | C29 | H45 | 148.2° | 30.0° |
| N5 | C30 | S | C36 | 0.8° | 0.3° |
| C30 | N5 | C31 | C36 | 0.7° | 0.6° |
| C30 | N5 | C31 | C32 | 177.7° | 179.8° |
| N5 | C30 | C29 | H44 | 155.2° | 30.3° |
| N5 | C30 | C29 | H45 | 36.0° | 150.3° |
| S | C36 | C35 | C31 | 178.2° | 179.9° |
| S | C36 | C35 | C34 | 178.0° | 180.0° |
| S | C36 | C31 | C32 | 178.4° | 180.0° |
| S | C36 | C31 | N5 | 0.1° | 0.3° |
| S | C36 | C35 | H48 | 1.9° | 0.0° |
| C36 | C35 | C34 | H48 | 180.0° | 180.0° |
| C36 | C35 | C34 | CL | 179.4° | 180.0° |
| C36 | C35 | C34 | C33 | 0.2° | 0.0° |
| C35 | C36 | C31 | C32 | 0.1° | 0.1° |
| C35 | C36 | C31 | N5 | 178.6° | 179.7° |
| C31 | C36 | C35 | C34 | 0.2° | 0.0° |
| C36 | C31 | C32 | C33 | 0.1° | 0.0° |
| C36 | C31 | C32 | N5 | 178.3° | 179.6° |
| C31 | C36 | C35 | H48 | 179.9° | 179.9° |
| C36 | C31 | C32 | H46 | 179.9° | 180.0° |
| C35 | C34 | CL | C33 | 179.6° | 179.9° |
| C35 | C34 | C33 | C32 | 0.1° | 0.1° |
| C35 | C34 | C33 | H47 | 179.9° | 180.0° |
| CL | C34 | C33 | C32 | 179.5° | 180.0° |
| CL | C34 | C35 | H48 | 0.5° | 0.1° |
| CL | C34 | C33 | H47 | 0.5° | 0.1° |
| C34 | C33 | C32 | H47 | 180.0° | 179.9° |
| C34 | C33 | C32 | C31 | 0.1° | 0.0° |
| C33 | C34 | C35 | H48 | 179.9° | 180.0° |
| C34 | C33 | C32 | H46 | 179.9° | 180.0° |
| C33 | C32 | C31 | H46 | 180.0° | 180.0° |
| C33 | C32 | C31 | N5 | 178.4° | 179.6° |
| C31 | C32 | C33 | H47 | 179.9° | 180.0° |
| N5 | C31 | C32 | H46 | 1.6° | 0.4° |
| O | C | CA | HA | 134.4° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| H | N | CA | HA | 61.8° | 56.1° |
| HA | CA | C29 | H44 | 176.1° | 175.0° |
| HA | CA | C29 | H45 | 56.8° | 65.0° |
| HA | CA | N | H2 | 178.2° | 180.0° |
| HA | CA | C | OXT | 46.0° | 40.0° |
| H47 | C33 | C32 | H46 | 0.1° | 0.0° |
