4IK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C6 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.40Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.40Å | Aromatic |
| C2 | H2A | sing | 1.08Å | 1.08Å | |
| C4 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.34Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.33Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.34Å | Aromatic |
| N6 | C6 | sing | 1.38Å | 1.33Å | |
| N6 | H62 | sing | 0.97Å | 1.00Å | |
| N6 | H61 | sing | 0.97Å | 1.00Å | |
| C8 | N7 | doub | 1.30Å | 1.33Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.33Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | C1' | sing | 1.47Å | 1.49Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| NZ | CE | sing | 1.47Å | 1.47Å | |
| NZ | HZ2 | sing | 1.01Å | 1.00Å | |
| NZ | HZ3 | sing | 1.01Å | 1.00Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| CE | CD | sing | 1.53Å | 1.56Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CD | CG | sing | 1.53Å | 1.55Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CD | C5' | sing | 1.53Å | 1.55Å | |
| C5' | C4' | sing | 1.53Å | 1.55Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C2' | C1' | sing | 1.55Å | 1.51Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 117.8° | 120.0° |
| O | C | OXT | 125.3° | 120.0° |
| CA | C | OXT | 117.0° | 120.0° |
| C | CA | N | 109.7° | 109.5° |
| C | CA | CB | 112.3° | 109.5° |
| C | CA | HA | 107.7° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.1° |
| N | CA | CB | 110.5° | 109.5° |
| N | CA | HA | 108.7° | 109.4° |
| H | N | H2 | 109.5° | 110.9° |
| C6 | N1 | C2 | 119.3° | 121.2° |
| N1 | C6 | C5 | 121.6° | 118.5° |
| N1 | C6 | N6 | 121.1° | 120.7° |
| N1 | C2 | N3 | 117.9° | 122.5° |
| N1 | C2 | H2A | 121.1° | 118.7° |
| N3 | C2 | H2A | 121.1° | 118.8° |
| C2 | N3 | C4 | 120.0° | 120.6° |
| N3 | C4 | N9 | 131.3° | 134.9° |
| N3 | C4 | C5 | 120.5° | 119.1° |
| N9 | C4 | C5 | 108.2° | 106.0° |
| C4 | N9 | C8 | 107.8° | 107.4° |
| C4 | N9 | C1' | 125.0° | 126.3° |
| C4 | C5 | N7 | 107.5° | 107.1° |
| C4 | C5 | C6 | 120.7° | 118.2° |
| N7 | C5 | C6 | 131.8° | 134.7° |
| C5 | N7 | C8 | 108.6° | 109.4° |
| C5 | C6 | N6 | 117.3° | 120.8° |
| C6 | N6 | H62 | 109.5° | 120.0° |
| C6 | N6 | H61 | 109.4° | 120.0° |
| H62 | N6 | H61 | 109.5° | 120.0° |
| N7 | C8 | N9 | 108.0° | 110.0° |
| N7 | C8 | H8 | 126.0° | 125.0° |
| N9 | C8 | H8 | 126.0° | 125.0° |
| C8 | N9 | C1' | 127.2° | 126.3° |
| N9 | C1' | O4' | 103.9° | 110.6° |
| N9 | C1' | C2' | 114.4° | 110.7° |
| N9 | C1' | H1' | 111.6° | 110.5° |
| CB | CA | HA | 107.7° | 109.4° |
| CA | CB | CG | 109.4° | 109.5° |
| CA | CB | HB2 | 109.5° | 109.5° |
| CA | CB | HB3 | 109.5° | 109.5° |
| CG | CB | HB2 | 109.5° | 109.5° |
| CG | CB | HB3 | 109.5° | 109.5° |
| CB | CG | CD | 115.9° | 109.5° |
| CB | CG | HG2 | 107.8° | 109.4° |
| CB | CG | HG3 | 107.8° | 109.5° |
| HB2 | CB | HB3 | 109.5° | 109.4° |
| CE | NZ | HZ2 | 109.5° | 111.0° |
| CE | NZ | HZ3 | 109.5° | 111.0° |
| NZ | CE | CD | 114.8° | 109.5° |
| NZ | CE | HE3 | 108.1° | 109.5° |
| NZ | CE | HE2 | 108.1° | 109.5° |
| HZ2 | NZ | HZ3 | 109.5° | 111.1° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| O3' | C3' | C4' | 107.9° | 110.5° |
| O3' | C3' | C2' | 110.3° | 110.5° |
| O3' | C3' | H3' | 112.1° | 110.4° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| O2' | C2' | C3' | 110.2° | 111.0° |
| O2' | C2' | C1' | 108.5° | 110.9° |
| O2' | C2' | H2' | 113.0° | 110.8° |
| CD | CE | HE3 | 108.1° | 109.5° |
| CD | CE | HE2 | 108.1° | 109.4° |
| CE | CD | CG | 112.1° | 109.5° |
| CE | CD | C5' | 113.1° | 109.5° |
| CE | CD | HD | 105.4° | 109.5° |
| HE3 | CE | HE2 | 109.5° | 109.5° |
| CD | CG | HG2 | 107.8° | 109.4° |
| CD | CG | HG3 | 107.8° | 109.5° |
| CG | CD | C5' | 114.2° | 109.5° |
| CG | CD | HD | 105.5° | 109.5° |
| HG2 | CG | HG3 | 109.5° | 109.5° |
| CD | C5' | C4' | 111.6° | 109.5° |
| CD | C5' | H5'' | 108.9° | 109.5° |
| CD | C5' | H5' | 108.9° | 109.5° |
| C5' | CD | HD | 105.5° | 109.5° |
| C4' | C5' | H5'' | 108.9° | 109.4° |
| C4' | C5' | H5' | 108.9° | 109.5° |
| C5' | C4' | O4' | 107.9° | 109.9° |
| C5' | C4' | C3' | 112.2° | 109.9° |
| C5' | C4' | H4' | 109.8° | 109.9° |
| H5'' | C5' | H5' | 109.5° | 109.5° |
| C4' | O4' | C1' | 108.2° | 106.9° |
| O4' | C4' | C3' | 105.1° | 107.3° |
| O4' | C4' | H4' | 111.6° | 109.9° |
| O4' | C1' | C2' | 102.5° | 103.5° |
| O4' | C1' | H1' | 112.6° | 110.6° |
| C4' | C3' | C2' | 104.9° | 104.2° |
| C4' | C3' | H3' | 110.6° | 110.6° |
| C3' | C4' | H4' | 110.2° | 110.0° |
| C2' | C3' | H3' | 110.7° | 110.5° |
| C3' | C2' | C1' | 101.5° | 102.1° |
| C3' | C2' | H2' | 111.4° | 110.9° |
| C1' | C2' | H2' | 111.6° | 110.9° |
| C2' | C1' | H1' | 111.4° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 179.9° | 179.7° |
| O | C | CA | N | 44.1° | 20.3° |
| O | C | CA | CB | 79.2° | 99.7° |
| O | C | CA | HA | 162.3° | 140.3° |
| O | C | OXT | HXT | 0.0° | 0.3° |
| C | CA | N | CB | 124.3° | 120.1° |
| C | CA | N | HA | 117.6° | 120.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.0° |
| C | CA | CB | HA | 118.5° | 120.0° |
| C | CA | CB | CG | 63.4° | 175.0° |
| C | CA | CB | HB2 | 176.6° | 65.0° |
| C | CA | CB | HB3 | 56.6° | 55.0° |
| CA | C | OXT | HXT | 179.8° | 180.0° |
| OXT | C | CA | N | 135.8° | 160.0° |
| OXT | C | CA | CB | 100.9° | 80.0° |
| OXT | C | CA | HA | 17.6° | 40.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HA | 118.7° | 119.9° |
| N | CA | CB | CG | 173.7° | 64.9° |
| N | CA | CB | HB2 | 53.8° | 55.1° |
| N | CA | CB | HB3 | 66.3° | 175.0° |
| H | N | CA | CB | 55.6° | 60.0° |
| H | N | CA | HA | 62.4° | 180.0° |
| H2 | N | CA | CB | 175.7° | 63.9° |
| H2 | N | CA | HA | 57.6° | 56.0° |
| C6 | N1 | C2 | N3 | 0.2° | 0.1° |
| C6 | N1 | C2 | H2A | 179.8° | 180.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.1° |
| N1 | C6 | C5 | N7 | 179.9° | 180.0° |
| N1 | C6 | C5 | N6 | 179.7° | 179.9° |
| N1 | C6 | N6 | H62 | 0.0° | 179.9° |
| N1 | C6 | N6 | H61 | 120.0° | 0.1° |
| N1 | C2 | N3 | H2A | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.7° | 0.0° |
| C2 | N1 | C6 | C5 | 0.2° | 0.1° |
| C2 | N1 | C6 | N6 | 179.8° | 180.0° |
| C2 | N3 | C4 | N9 | 179.3° | 180.0° |
| C2 | N3 | C4 | C5 | 0.7° | 0.0° |
| H2A | C2 | N3 | C4 | 179.4° | 180.0° |
| N3 | C4 | N9 | C5 | 178.7° | 180.0° |
| N3 | C4 | C5 | N7 | 179.5° | 180.0° |
| N3 | C4 | C5 | C6 | 0.3° | 0.1° |
| N3 | C4 | N9 | C8 | 179.6° | 180.0° |
| N3 | C4 | N9 | C1' | 2.5° | 0.0° |
| N9 | C4 | C5 | N7 | 0.6° | 0.0° |
| N9 | C4 | C5 | C6 | 179.2° | 179.9° |
| C4 | N9 | C8 | N7 | 0.8° | 0.0° |
| C4 | N9 | C8 | C1' | 177.9° | 180.0° |
| C4 | N9 | C8 | H8 | 179.2° | 180.0° |
| C4 | N9 | C1' | O4' | 107.7° | 156.4° |
| C4 | N9 | C1' | C2' | 141.4° | 89.4° |
| C4 | N9 | C1' | H1' | 13.8° | 33.6° |
| C4 | C5 | N7 | C6 | 179.8° | 179.9° |
| C4 | C5 | C6 | N6 | 179.8° | 180.0° |
| C4 | C5 | N7 | C8 | 0.0° | 0.0° |
| C5 | C4 | N9 | C8 | 0.9° | 0.0° |
| C5 | C4 | N9 | C1' | 178.8° | 180.0° |
| N7 | C5 | C6 | N6 | 0.4° | 0.1° |
| C5 | N7 | C8 | N9 | 0.5° | 0.0° |
| C5 | N7 | C8 | H8 | 179.5° | 180.0° |
| C5 | C6 | N6 | H62 | 179.7° | 0.0° |
| C5 | C6 | N6 | H61 | 59.7° | 180.0° |
| C6 | C5 | N7 | C8 | 179.7° | 179.9° |
| C6 | N6 | H62 | H61 | 120.0° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 178.7° | 180.0° |
| C8 | N9 | C1' | O4' | 69.9° | 23.6° |
| C8 | N9 | C1' | C2' | 41.0° | 90.5° |
| C8 | N9 | C1' | H1' | 168.6° | 146.4° |
| H8 | C8 | N9 | C1' | 1.3° | 0.0° |
| N9 | C1' | C2' | O2' | 91.8° | 86.2° |
| N9 | C1' | O4' | C4' | 160.1° | 158.6° |
| N9 | C1' | O4' | C2' | 119.3° | 118.5° |
| N9 | C1' | O4' | H1' | 120.9° | 122.7° |
| N9 | C1' | C2' | C3' | 152.1° | 155.5° |
| N9 | C1' | C2' | H1' | 127.7° | 122.9° |
| N9 | C1' | C2' | H2' | 33.4° | 37.3° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 120.1° | 120.0° |
| CA | CB | CG | CD | 159.7° | 175.0° |
| CA | CB | CG | HG2 | 79.4° | 65.1° |
| CA | CB | CG | HG3 | 38.8° | 54.9° |
| HA | CA | CB | CG | 55.1° | 55.0° |
| HA | CA | CB | HB2 | 64.9° | 175.0° |
| HA | CA | CB | HB3 | 175.1° | 65.0° |
| CG | CB | HB2 | HB3 | 120.0° | 120.0° |
| CB | CG | CD | CE | 77.5° | 174.2° |
| CB | CG | CD | HG2 | 120.9° | 120.0° |
| CB | CG | CD | HG3 | 120.9° | 120.1° |
| CB | CG | HG2 | HG3 | 117.1° | 120.0° |
| CB | CG | CD | C5' | 52.8° | 65.8° |
| CB | CG | CD | HD | 168.2° | 54.2° |
| HB2 | CB | CG | CD | 39.7° | 55.0° |
| HB2 | CB | CG | HG2 | 160.6° | 174.9° |
| HB2 | CB | CG | HG3 | 81.2° | 65.1° |
| HB3 | CB | CG | CD | 80.3° | 65.0° |
| HB3 | CB | CG | HG2 | 40.6° | 55.0° |
| HB3 | CB | CG | HG3 | 158.8° | 175.0° |
| CE | NZ | HZ2 | HZ3 | 120.0° | 124.0° |
| NZ | CE | CD | HE3 | 120.8° | 120.0° |
| NZ | CE | CD | HE2 | 120.8° | 120.0° |
| NZ | CE | HE3 | HE2 | 117.6° | 120.0° |
| NZ | CE | CD | CG | 93.6° | 64.3° |
| NZ | CE | CD | C5' | 37.3° | 175.7° |
| NZ | CE | CD | HD | 152.1° | 55.7° |
| HZ2 | NZ | CE | CD | 180.0° | 56.0° |
| HZ2 | NZ | CE | HE3 | 59.2° | 176.0° |
| HZ2 | NZ | CE | HE2 | 59.2° | 64.0° |
| HZ3 | NZ | CE | CD | 60.0° | 180.0° |
| HZ3 | NZ | CE | HE3 | 60.8° | 60.0° |
| HZ3 | NZ | CE | HE2 | 179.2° | 60.1° |
| O3' | C3' | C2' | O2' | 25.3° | 20.4° |
| O3' | C3' | C4' | C5' | 128.7° | 119.8° |
| O3' | C3' | C4' | O4' | 114.3° | 120.7° |
| O3' | C3' | C4' | C2' | 117.6° | 118.7° |
| O3' | C3' | C4' | H3' | 123.0° | 122.6° |
| O3' | C3' | C2' | H3' | 124.6° | 122.4° |
| O3' | C3' | C2' | C1' | 89.5° | 97.8° |
| O3' | C3' | C2' | H2' | 151.6° | 144.0° |
| O3' | C3' | C4' | H4' | 6.0° | 1.2° |
| HO3' | O3' | C3' | C4' | 180.0° | 176.2° |
| HO3' | O3' | C3' | C2' | 65.9° | 61.5° |
| HO3' | O3' | C3' | H3' | 57.9° | 61.1° |
| O2' | C2' | C1' | O4' | 156.5° | 155.3° |
| O2' | C2' | C3' | C4' | 141.3° | 139.1° |
| O2' | C2' | C3' | C1' | 114.8° | 118.2° |
| O2' | C2' | C3' | H2' | 126.3° | 123.6° |
| O2' | C2' | C3' | H3' | 99.3° | 102.1° |
| O2' | C2' | C1' | H2' | 125.1° | 123.5° |
| O2' | C2' | C1' | H1' | 35.9° | 36.7° |
| HO2' | O2' | C2' | C3' | 180.0° | 61.4° |
| HO2' | O2' | C2' | C1' | 69.7° | 174.1° |
| HO2' | O2' | C2' | H2' | 54.6° | 62.3° |
| CD | CE | HE3 | HE2 | 117.5° | 120.0° |
| CE | CD | CG | C5' | 130.3° | 120.0° |
| CE | CD | CG | HD | 114.3° | 120.0° |
| CE | CD | CG | HG2 | 43.4° | 65.8° |
| CE | CD | CG | HG3 | 161.5° | 54.2° |
| CE | CD | C5' | HD | 114.8° | 120.0° |
| CE | CD | C5' | C4' | 165.3° | 65.0° |
| CE | CD | C5' | H5'' | 74.4° | 175.0° |
| CE | CD | C5' | H5' | 45.0° | 55.0° |
| HE3 | CE | CD | CG | 145.6° | 55.7° |
| HE3 | CE | CD | C5' | 83.5° | 64.3° |
| HE3 | CE | CD | HD | 31.3° | 175.7° |
| HE2 | CE | CD | CG | 27.2° | 175.7° |
| HE2 | CE | CD | C5' | 158.1° | 55.7° |
| HE2 | CE | CD | HD | 87.1° | 64.3° |
| CD | CG | HG2 | HG3 | 117.1° | 120.0° |
| CG | CD | C5' | HD | 115.4° | 120.0° |
| CG | CD | C5' | C4' | 64.9° | 175.0° |
| CG | CD | C5' | H5'' | 55.5° | 55.0° |
| CG | CD | C5' | H5' | 174.8° | 65.0° |
| HG2 | CG | CD | C5' | 173.7° | 54.2° |
| HG2 | CG | CD | HD | 70.9° | 174.2° |
| HG3 | CG | CD | C5' | 68.1° | 174.2° |
| HG3 | CG | CD | HD | 47.3° | 65.8° |
| CD | C5' | C4' | H5'' | 120.3° | 120.0° |
| CD | C5' | C4' | H5' | 120.3° | 120.0° |
| CD | C5' | H5'' | H5' | 119.0° | 120.0° |
| CD | C5' | C4' | O4' | 176.9° | 66.4° |
| CD | C5' | C4' | C3' | 61.7° | 175.7° |
| CD | C5' | C4' | H4' | 61.2° | 54.6° |
| C4' | C5' | H5'' | H5' | 119.0° | 120.0° |
| C5' | C4' | O4' | C3' | 119.9° | 119.4° |
| C5' | C4' | O4' | H4' | 120.7° | 121.0° |
| C5' | C4' | O4' | C1' | 143.2° | 146.0° |
| C4' | C5' | CD | HD | 50.5° | 55.0° |
| C5' | C4' | C3' | H4' | 122.7° | 121.1° |
| C5' | C4' | C3' | C2' | 113.7° | 121.5° |
| C5' | C4' | C3' | H3' | 5.7° | 2.7° |
| H5'' | C5' | C4' | O4' | 62.7° | 53.6° |
| H5'' | C5' | CD | HD | 170.8° | 65.0° |
| H5'' | C5' | C4' | C3' | 178.0° | 64.3° |
| H5'' | C5' | C4' | H4' | 59.1° | 174.6° |
| H5' | C5' | C4' | O4' | 56.6° | 173.5° |
| H5' | C5' | CD | HD | 69.8° | 175.0° |
| H5' | C5' | C4' | C3' | 58.6° | 55.7° |
| H5' | C5' | C4' | H4' | 178.5° | 65.5° |
| O4' | C4' | C3' | H4' | 120.3° | 119.5° |
| O4' | C4' | C3' | C2' | 3.2° | 2.0° |
| O4' | C4' | C3' | H3' | 122.7° | 116.7° |
| C4' | O4' | C1' | C2' | 40.8° | 40.1° |
| C4' | O4' | C1' | H1' | 79.0° | 78.7° |
| C1' | O4' | C4' | C3' | 23.3° | 26.5° |
| O4' | C1' | C2' | C3' | 40.4° | 37.0° |
| O4' | C1' | C2' | H1' | 120.6° | 118.6° |
| O4' | C1' | C2' | H2' | 78.3° | 81.2° |
| C1' | O4' | C4' | H4' | 96.1° | 93.0° |
| C4' | C3' | C2' | H3' | 119.4° | 118.9° |
| C4' | C3' | C2' | C1' | 26.5° | 20.9° |
| C4' | C3' | C2' | H2' | 92.4° | 97.3° |
| C3' | C2' | C1' | H2' | 118.7° | 118.2° |
| C2' | C3' | C4' | H4' | 123.6° | 117.4° |
| C3' | C2' | C1' | H1' | 80.2° | 81.6° |
| H3' | C3' | C2' | C1' | 145.9° | 139.7° |
| H3' | C3' | C2' | H2' | 27.0° | 21.5° |
| H3' | C3' | C4' | H4' | 117.0° | 123.8° |
| H2' | C2' | C1' | H1' | 161.1° | 160.2° |
