SNK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.64Å | |
| CA | CB | sing | 1.53Å | 1.57Å | |
| CA | N | sing | 1.47Å | 1.51Å | |
| CB | CG | sing | 1.51Å | 1.50Å | |
| CG | ND1 | sing | 1.37Å | 1.39Å | Aromatic |
| CG | CD2 | doub | 1.35Å | 1.42Å | Aromatic |
| ND1 | CE1 | sing | 1.35Å | 1.38Å | Aromatic |
| CD2 | S04 | sing | 1.76Å | 1.77Å | |
| CD2 | NE2 | sing | 1.34Å | 1.40Å | Aromatic |
| O03 | C02 | doub | 1.21Å | 1.24Å | |
| S04 | C02 | sing | 1.71Å | 1.85Å | |
| CE1 | NE2 | doub | 1.31Å | 1.35Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.51Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| ND1 | H8 | sing | 0.97Å | 1.00Å | |
| CE1 | H9 | sing | 1.08Å | 1.08Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C | O1 | sing | 1.34Å | 1.33Å | |
| O1 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 118.8° | 120.0° |
| O | C | O1 | 124.1° | 120.0° |
| C | CA | CB | 115.8° | 109.5° |
| C | CA | N | 113.8° | 109.5° |
| C | CA | H4 | 104.0° | 109.5° |
| CA | C | O1 | 117.1° | 120.0° |
| CB | CA | N | 112.0° | 109.4° |
| CA | CB | CG | 112.8° | 109.5° |
| CB | CA | H4 | 104.6° | 109.4° |
| CA | CB | H6 | 108.7° | 109.5° |
| CA | CB | H7 | 108.6° | 109.5° |
| CA | N | H1 | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | H4 | 105.3° | 109.5° |
| CB | CG | ND1 | 120.4° | 126.6° |
| CB | CG | CD2 | 135.0° | 126.6° |
| CG | CB | H6 | 108.6° | 109.5° |
| CG | CB | H7 | 108.6° | 109.5° |
| ND1 | CG | CD2 | 104.6° | 106.8° |
| CG | ND1 | CE1 | 109.5° | 107.2° |
| CG | ND1 | H8 | 125.3° | 126.4° |
| CG | CD2 | S04 | 129.3° | 126.1° |
| CG | CD2 | NE2 | 109.8° | 107.8° |
| ND1 | CE1 | NE2 | 109.9° | 108.8° |
| CE1 | ND1 | H8 | 125.3° | 126.4° |
| ND1 | CE1 | H9 | 125.1° | 125.6° |
| S04 | CD2 | NE2 | 121.0° | 126.1° |
| CD2 | S04 | C02 | 116.4° | 100.0° |
| CD2 | NE2 | CE1 | 106.3° | 109.3° |
| O03 | C02 | S04 | 120.7° | 120.0° |
| O03 | C02 | C01 | 116.4° | 120.0° |
| S04 | C02 | C01 | 122.9° | 120.0° |
| NE2 | CE1 | H9 | 125.0° | 125.6° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| H1 | N | H2 | 109.5° | 111.0° |
| H6 | CB | H7 | 109.5° | 109.4° |
| H11 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H13 | 109.5° | 109.4° |
| H12 | C01 | H13 | 109.5° | 109.4° |
| C | O1 | H3 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | O1 | 178.8° | 180.0° |
| O | C | CA | CB | 1.0° | 100.0° |
| O | C | CA | N | 130.8° | 20.0° |
| O | C | CA | H4 | 115.2° | 140.0° |
| O | C | O1 | H3 | 0.0° | 0.0° |
| C | CA | CB | N | 132.6° | 120.0° |
| C | CA | CB | H4 | 113.8° | 120.0° |
| C | CA | N | H4 | 113.3° | 120.0° |
| C | CA | CB | CG | 158.0° | 175.0° |
| C | CA | N | H1 | 180.0° | 176.0° |
| C | CA | N | H2 | 60.0° | 60.0° |
| C | CA | CB | H6 | 37.5° | 55.0° |
| C | CA | CB | H7 | 81.5° | 65.0° |
| CA | C | O1 | H3 | 178.7° | 180.0° |
| CB | CA | N | H4 | 113.1° | 120.0° |
| CA | CB | CG | H6 | 120.5° | 120.0° |
| CA | CB | CG | H7 | 120.5° | 120.0° |
| CA | CB | CG | ND1 | 45.2° | 95.0° |
| CA | CB | CG | CD2 | 133.3° | 84.7° |
| CB | CA | N | H1 | 46.4° | 64.0° |
| CB | CA | N | H2 | 73.7° | 60.0° |
| CA | CB | H6 | H7 | 118.5° | 120.0° |
| CB | CA | C | O1 | 177.8° | 80.0° |
| N | CA | CB | CG | 69.3° | 65.0° |
| CA | N | H1 | H2 | 120.0° | 124.0° |
| N | CA | CB | H6 | 170.2° | 175.0° |
| N | CA | CB | H7 | 51.2° | 55.0° |
| N | CA | C | O1 | 50.3° | 160.0° |
| CB | CG | ND1 | CD2 | 178.9° | 179.7° |
| CB | CG | ND1 | CE1 | 179.3° | 180.0° |
| CB | CG | CD2 | S04 | 1.2° | 0.0° |
| CB | CG | CD2 | NE2 | 179.0° | 180.0° |
| CG | CB | CA | H4 | 44.2° | 55.0° |
| CG | CB | H6 | H7 | 118.5° | 120.0° |
| CB | CG | ND1 | H8 | 0.7° | 0.0° |
| CG | ND1 | CE1 | H8 | 180.0° | 180.0° |
| ND1 | CG | CD2 | S04 | 179.8° | 179.7° |
| ND1 | CG | CD2 | NE2 | 0.4° | 0.3° |
| CG | ND1 | CE1 | NE2 | 0.3° | 0.2° |
| ND1 | CG | CB | H6 | 75.3° | 145.0° |
| ND1 | CG | CB | H7 | 165.7° | 25.1° |
| CG | ND1 | CE1 | H9 | 179.7° | 180.0° |
| CD2 | CG | ND1 | CE1 | 0.4° | 0.3° |
| CG | CD2 | S04 | NE2 | 179.8° | 179.9° |
| CG | CD2 | S04 | C02 | 148.5° | 180.0° |
| CG | CD2 | NE2 | CE1 | 0.2° | 0.2° |
| CD2 | CG | CB | H6 | 106.2° | 35.3° |
| CD2 | CG | CB | H7 | 12.8° | 155.3° |
| CD2 | CG | ND1 | H8 | 179.6° | 179.8° |
| ND1 | CE1 | NE2 | CD2 | 0.1° | 0.0° |
| ND1 | CE1 | NE2 | H9 | 180.0° | 179.9° |
| CD2 | S04 | C02 | O03 | 88.7° | 0.0° |
| S04 | CD2 | NE2 | CE1 | 180.0° | 179.8° |
| CD2 | S04 | C02 | C01 | 91.1° | 180.0° |
| NE2 | CD2 | S04 | C02 | 31.2° | 0.0° |
| CD2 | NE2 | CE1 | H9 | 179.9° | 179.9° |
| O03 | C02 | S04 | C01 | 179.8° | 179.9° |
| O03 | C02 | C01 | H11 | 0.0° | 0.0° |
| O03 | C02 | C01 | H12 | 120.0° | 120.1° |
| O03 | C02 | C01 | H13 | 120.0° | 119.9° |
| S04 | C02 | C01 | H11 | 179.8° | 180.0° |
| S04 | C02 | C01 | H12 | 60.1° | 60.0° |
| S04 | C02 | C01 | H13 | 59.8° | 60.0° |
| NE2 | CE1 | ND1 | H8 | 179.7° | 179.8° |
| C02 | C01 | H11 | H12 | 120.0° | 120.1° |
| C02 | C01 | H11 | H13 | 120.0° | 120.0° |
| C02 | C01 | H12 | H13 | 120.0° | 120.0° |
| H1 | N | CA | H4 | 66.7° | 56.0° |
| H2 | N | CA | H4 | 173.2° | 180.0° |
| H4 | CA | CB | H6 | 76.3° | 65.0° |
| H4 | CA | CB | H7 | 164.7° | 175.1° |
| H4 | CA | C | O1 | 63.7° | 40.0° |
| H8 | ND1 | CE1 | H9 | 0.3° | 0.0° |
| H11 | C01 | H12 | H13 | 120.0° | 119.9° |
