1N4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAG | sing | 1.53Å | 1.49Å | |
| CAG | CAH | sing | 1.53Å | 1.48Å | |
| CAH | CAK | sing | 1.51Å | 1.49Å | |
| CAF | CAK | sing | 1.40Å | 1.42Å | Aromatic |
| CAF | NAI | doub | 1.31Å | 1.33Å | Aromatic |
| CAK | CAL | doub | 1.35Å | 1.42Å | Aromatic |
| NAI | NAN | sing | 1.40Å | 1.32Å | Aromatic |
| CAL | NAN | sing | 1.35Å | 1.32Å | Aromatic |
| CAL | CA | sing | 1.51Å | 1.49Å | |
| OXT | C | doub | 1.21Å | 1.27Å | |
| NAN | OAE | sing | 1.42Å | 1.30Å | |
| CA | C | sing | 1.51Å | 1.49Å | |
| CA | N | sing | 1.47Å | 1.44Å | |
| C | O | sing | 1.34Å | 1.25Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAG | H4 | sing | 1.09Å | 1.10Å | |
| CAG | H5 | sing | 1.09Å | 1.10Å | |
| CAH | H6 | sing | 1.09Å | 1.10Å | |
| CAH | H7 | sing | 1.09Å | 1.10Å | |
| CAF | H8 | sing | 1.08Å | 1.08Å | |
| OAE | H9 | sing | 0.97Å | 0.95Å | |
| CA | H10 | sing | 1.09Å | 1.10Å | |
| O | H11 | sing | 0.97Å | 0.95Å | |
| N | H12 | sing | 1.01Å | 1.00Å | |
| N | H13 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAG | CAH | 114.7° | 109.4° |
| CAG | CAA | H1 | 109.5° | 109.5° |
| CAG | CAA | H2 | 109.5° | 109.5° |
| CAG | CAA | H3 | 109.5° | 109.5° |
| CAA | CAG | H4 | 108.2° | 109.4° |
| CAA | CAG | H5 | 108.2° | 109.5° |
| CAG | CAH | CAK | 118.8° | 109.4° |
| CAH | CAG | H4 | 108.2° | 109.5° |
| CAH | CAG | H5 | 108.1° | 109.5° |
| CAG | CAH | H6 | 107.1° | 109.5° |
| CAG | CAH | H7 | 107.1° | 109.5° |
| CAH | CAK | CAF | 128.7° | 126.0° |
| CAH | CAK | CAL | 126.5° | 126.0° |
| CAK | CAH | H6 | 107.1° | 109.4° |
| CAK | CAH | H7 | 107.1° | 109.4° |
| CAK | CAF | NAI | 106.2° | 108.2° |
| CAF | CAK | CAL | 104.7° | 107.9° |
| CAK | CAF | H8 | 126.9° | 125.9° |
| CAF | NAI | NAN | 111.6° | 108.2° |
| NAI | CAF | H8 | 126.9° | 126.0° |
| CAK | CAL | NAN | 107.9° | 107.7° |
| CAK | CAL | CA | 125.9° | 126.2° |
| NAI | NAN | CAL | 109.6° | 107.9° |
| NAI | NAN | OAE | 126.0° | 126.0° |
| NAN | CAL | CA | 126.2° | 126.1° |
| CAL | NAN | OAE | 124.4° | 126.0° |
| CAL | CA | C | 111.0° | 109.5° |
| CAL | CA | N | 110.1° | 109.5° |
| CAL | CA | H10 | 108.7° | 109.5° |
| OXT | C | CA | 121.8° | 120.0° |
| OXT | C | O | 119.3° | 120.0° |
| NAN | OAE | H9 | 109.5° | 114.1° |
| C | CA | N | 109.0° | 109.5° |
| CA | C | O | 118.9° | 120.0° |
| C | CA | H10 | 108.6° | 109.5° |
| N | CA | H10 | 109.4° | 109.5° |
| CA | N | H12 | 109.5° | 111.0° |
| CA | N | H13 | 109.5° | 111.0° |
| C | O | H11 | 109.5° | 117.0° |
| H1 | CAA | H2 | 109.4° | 109.4° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H4 | CAG | H5 | 109.4° | 109.5° |
| H6 | CAH | H7 | 109.5° | 109.5° |
| H12 | N | H13 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAG | CAH | H4 | 120.8° | 119.9° |
| CAA | CAG | CAH | H5 | 120.8° | 120.0° |
| CAA | CAG | CAH | CAK | 171.2° | 180.0° |
| CAG | CAA | H1 | H2 | 120.0° | 120.0° |
| CAG | CAA | H1 | H3 | 120.0° | 120.0° |
| CAG | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAG | H4 | H5 | 117.7° | 120.0° |
| CAA | CAG | CAH | H6 | 67.5° | 60.1° |
| CAA | CAG | CAH | H7 | 49.9° | 60.0° |
| CAG | CAH | CAK | H6 | 121.3° | 120.0° |
| CAG | CAH | CAK | H7 | 121.3° | 120.0° |
| CAG | CAH | CAK | CAF | 41.3° | 94.7° |
| CAG | CAH | CAK | CAL | 138.9° | 85.0° |
| CAH | CAG | CAA | H1 | 180.0° | 180.0° |
| CAH | CAG | CAA | H2 | 60.0° | 60.0° |
| CAH | CAG | CAA | H3 | 60.0° | 59.9° |
| CAH | CAG | H4 | H5 | 117.6° | 120.1° |
| CAG | CAH | H6 | H7 | 115.8° | 120.1° |
| CAH | CAK | CAF | CAL | 179.9° | 179.7° |
| CAH | CAK | CAF | NAI | 179.9° | 180.0° |
| CAH | CAK | CAL | NAN | 179.9° | 179.9° |
| CAH | CAK | CAL | CA | 0.2° | 0.1° |
| CAK | CAH | CAG | H4 | 50.4° | 60.1° |
| CAK | CAH | CAG | H5 | 68.0° | 60.0° |
| CAK | CAH | H6 | H7 | 115.8° | 119.9° |
| CAH | CAK | CAF | H8 | 0.0° | 0.1° |
| CAK | CAF | NAI | H8 | 180.0° | 180.0° |
| CAK | CAF | NAI | NAN | 0.1° | 0.0° |
| CAF | CAK | CAL | NAN | 0.1° | 0.4° |
| CAF | CAK | CAL | CA | 180.0° | 179.8° |
| CAF | CAK | CAH | H6 | 162.6° | 145.3° |
| CAF | CAK | CAH | H7 | 80.0° | 25.3° |
| NAI | CAF | CAK | CAL | 0.1° | 0.3° |
| CAF | NAI | NAN | CAL | 0.0° | 0.3° |
| CAF | NAI | NAN | OAE | 179.8° | 179.9° |
| CAK | CAL | NAN | NAI | 0.0° | 0.4° |
| CAK | CAL | NAN | CA | 179.9° | 179.8° |
| CAK | CAL | NAN | OAE | 179.8° | 179.9° |
| CAK | CAL | CA | C | 118.4° | 105.0° |
| CAK | CAL | CA | N | 120.7° | 135.0° |
| CAL | CAK | CAH | H6 | 17.5° | 35.0° |
| CAL | CAK | CAH | H7 | 99.8° | 155.0° |
| CAL | CAK | CAF | H8 | 179.9° | 179.8° |
| CAK | CAL | CA | H10 | 1.0° | 15.0° |
| NAI | NAN | CAL | OAE | 179.8° | 179.7° |
| NAI | NAN | CAL | CA | 179.9° | 179.8° |
| NAN | NAI | CAF | H8 | 179.9° | 180.0° |
| NAI | NAN | OAE | H9 | 0.0° | 90.0° |
| NAN | CAL | CA | C | 61.4° | 75.2° |
| NAN | CAL | CA | N | 59.4° | 44.8° |
| CAL | NAN | OAE | H9 | 179.8° | 89.6° |
| NAN | CAL | CA | H10 | 179.2° | 164.8° |
| CAL | CA | C | OXT | 36.0° | 100.0° |
| CA | CAL | NAN | OAE | 0.3° | 0.1° |
| CAL | CA | C | N | 121.5° | 120.0° |
| CAL | CA | C | H10 | 119.4° | 120.0° |
| CAL | CA | N | H10 | 119.3° | 120.0° |
| CAL | CA | C | O | 144.9° | 80.0° |
| CAL | CA | N | H12 | 180.0° | 63.9° |
| CAL | CA | N | H13 | 60.0° | 60.0° |
| OXT | C | CA | O | 179.1° | 180.0° |
| OXT | C | CA | N | 157.5° | 20.0° |
| OXT | C | CA | H10 | 83.4° | 140.0° |
| OXT | C | O | H11 | 0.0° | 0.0° |
| C | CA | N | H10 | 118.6° | 120.0° |
| CA | C | O | H11 | 179.1° | 180.0° |
| C | CA | N | H12 | 58.0° | 176.0° |
| C | CA | N | H13 | 178.0° | 60.0° |
| N | CA | C | O | 23.4° | 160.0° |
| CA | N | H12 | H13 | 120.0° | 124.0° |
| O | C | CA | H10 | 95.7° | 40.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAG | H4 | 59.2° | 60.0° |
| H1 | CAA | CAG | H5 | 59.2° | 60.0° |
| H2 | CAA | CAG | H4 | 60.8° | 60.0° |
| H2 | CAA | CAG | H5 | 179.2° | 180.0° |
| H3 | CAA | CAG | H4 | 179.2° | 179.9° |
| H3 | CAA | CAG | H5 | 60.8° | 60.1° |
| H4 | CAG | CAH | H6 | 171.7° | 180.0° |
| H4 | CAG | CAH | H7 | 70.9° | 59.9° |
| H5 | CAG | CAH | H6 | 53.3° | 60.0° |
| H5 | CAG | CAH | H7 | 170.7° | 180.0° |
| H10 | CA | N | H12 | 60.7° | 56.0° |
| H10 | CA | N | H13 | 59.3° | 180.0° |
