3NZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N6 | C6 | sing | 1.38Å | 1.37Å | |
N7 | C5 | sing | 1.35Å | 1.32Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
C6 | C5 | doub | 1.41Å | 1.47Å | Aromatic |
C6 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
C5 | C4 | sing | 1.41Å | 1.47Å | Aromatic |
C8 | N9 | sing | 1.36Å | 1.37Å | Aromatic |
N1 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
C4 | N9 | sing | 1.37Å | 1.29Å | Aromatic |
C4 | N3 | doub | 1.33Å | 1.33Å | Aromatic |
N9 | C1' | sing | 1.47Å | 1.48Å | |
C2 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
O4' | C1' | sing | 1.45Å | 1.42Å | |
O4' | C4' | sing | 1.44Å | 1.45Å | |
C1' | C2' | sing | 1.55Å | 1.53Å | |
C4' | C5' | sing | 1.53Å | 1.52Å | |
C4' | C3' | sing | 1.54Å | 1.55Å | |
C5' | O5' | sing | 1.43Å | 1.43Å | |
C2' | O2' | sing | 1.43Å | 1.43Å | |
C2' | C3' | sing | 1.55Å | 1.56Å | |
C3' | N3' | sing | 1.47Å | 1.51Å | |
O | C | doub | 1.21Å | 1.20Å | |
CMZ | OM | sing | 1.43Å | 1.44Å | |
N3' | C | sing | 1.35Å | 1.43Å | |
C | CA | sing | 1.51Å | 1.55Å | |
OM | CZ | sing | 1.36Å | 1.37Å | |
CZ | CE1 | doub | 1.39Å | 1.39Å | Aromatic |
CZ | CE2 | sing | 1.39Å | 1.38Å | Aromatic |
CE1 | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
CE2 | CD2 | doub | 1.38Å | 1.38Å | Aromatic |
CD1 | CG | doub | 1.38Å | 1.38Å | Aromatic |
CD2 | CG | sing | 1.38Å | 1.39Å | Aromatic |
CG | CB | sing | 1.51Å | 1.51Å | |
CA | CB | sing | 1.53Å | 1.54Å | |
CA | N | sing | 1.47Å | 1.44Å | |
CA | H1 | sing | 1.09Å | 1.10Å | |
CB | H2 | sing | 1.09Å | 1.10Å | |
CB | H3 | sing | 1.09Å | 1.10Å | |
CD2 | H4 | sing | 1.08Å | 1.08Å | |
CE2 | H5 | sing | 1.08Å | 1.08Å | |
CMZ | H6 | sing | 1.09Å | 1.10Å | |
CMZ | H7 | sing | 1.09Å | 1.10Å | |
CMZ | H8 | sing | 1.09Å | 1.10Å | |
CE1 | H9 | sing | 1.08Å | 1.08Å | |
CD1 | H10 | sing | 1.08Å | 1.08Å | |
N | H11 | sing | 1.01Å | 1.00Å | |
N | H12 | sing | 1.01Å | 1.00Å | |
N3' | H14 | sing | 0.97Å | 1.00Å | |
C3' | H15 | sing | 1.09Å | 1.10Å | |
C4' | H16 | sing | 1.09Å | 1.10Å | |
C5' | H17 | sing | 1.09Å | 1.10Å | |
C5' | H18 | sing | 1.09Å | 1.10Å | |
O5' | H19 | sing | 0.97Å | 0.95Å | |
C2' | H20 | sing | 1.09Å | 1.10Å | |
O2' | H21 | sing | 0.97Å | 0.95Å | |
C1' | H22 | sing | 1.09Å | 1.10Å | |
C8 | H23 | sing | 1.08Å | 1.08Å | |
N6 | H24 | sing | 0.97Å | 1.00Å | |
N6 | H25 | sing | 0.97Å | 1.00Å | |
C2 | H26 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N6 | C6 | C5 | 125.9° | 120.8° |
N6 | C6 | N1 | 116.8° | 120.7° |
C6 | N6 | H24 | 109.5° | 120.0° |
C6 | N6 | H25 | 109.5° | 120.0° |
C5 | N7 | C8 | 109.0° | 109.5° |
N7 | C5 | C6 | 139.4° | 134.7° |
N7 | C5 | C4 | 105.7° | 107.1° |
N7 | C8 | N9 | 108.9° | 109.9° |
N7 | C8 | H23 | 125.5° | 125.0° |
C5 | C6 | N1 | 117.3° | 118.5° |
C6 | C5 | C4 | 114.8° | 118.1° |
C6 | N1 | C2 | 123.8° | 121.2° |
C5 | C4 | N9 | 107.2° | 106.0° |
C5 | C4 | N3 | 121.4° | 119.1° |
C8 | N9 | C4 | 109.1° | 107.4° |
C8 | N9 | C1' | 127.7° | 126.3° |
N9 | C8 | H23 | 125.5° | 125.0° |
N1 | C2 | N3 | 123.0° | 122.5° |
N1 | C2 | H26 | 118.5° | 118.8° |
N9 | C4 | N3 | 131.3° | 134.9° |
C4 | N9 | C1' | 123.1° | 126.3° |
C4 | N3 | C2 | 119.6° | 120.6° |
N9 | C1' | O4' | 116.1° | 110.8° |
N9 | C1' | C2' | 116.0° | 110.6° |
N9 | C1' | H22 | 106.8° | 110.5° |
N3 | C2 | H26 | 118.5° | 118.7° |
C1' | O4' | C4' | 101.1° | 106.9° |
O4' | C1' | C2' | 103.5° | 103.5° |
O4' | C1' | H22 | 107.5° | 110.6° |
O4' | C4' | C5' | 111.2° | 109.9° |
O4' | C4' | C3' | 105.6° | 107.3° |
O4' | C4' | H16 | 109.4° | 110.0° |
C1' | C2' | O2' | 108.3° | 110.9° |
C1' | C2' | C3' | 103.4° | 102.1° |
C1' | C2' | H20 | 109.7° | 110.9° |
C2' | C1' | H22 | 106.2° | 110.6° |
C5' | C4' | C3' | 114.0° | 109.9° |
C4' | C5' | O5' | 111.0° | 109.5° |
C5' | C4' | H16 | 108.3° | 109.9° |
C4' | C5' | H17 | 109.1° | 109.5° |
C4' | C5' | H18 | 109.1° | 109.5° |
C4' | C3' | C2' | 100.9° | 104.3° |
C4' | C3' | N3' | 121.1° | 110.5° |
C4' | C3' | H15 | 104.5° | 110.5° |
C3' | C4' | H16 | 108.1° | 109.9° |
O5' | C5' | H17 | 109.1° | 109.5° |
O5' | C5' | H18 | 109.1° | 109.4° |
C5' | O5' | H19 | 109.5° | 114.0° |
O2' | C2' | C3' | 114.7° | 110.9° |
O2' | C2' | H20 | 111.1° | 110.9° |
C2' | O2' | H21 | 109.5° | 114.0° |
C2' | C3' | N3' | 119.2° | 110.5° |
C2' | C3' | H15 | 104.4° | 110.5° |
C3' | C2' | H20 | 109.3° | 110.9° |
C3' | N3' | C | 139.7° | 120.0° |
C3' | N3' | H14 | 110.2° | 119.9° |
N3' | C3' | H15 | 104.9° | 110.4° |
O | C | N3' | 130.3° | 120.0° |
O | C | CA | 103.4° | 120.0° |
CMZ | OM | CZ | 120.6° | 117.1° |
OM | CMZ | H6 | 109.5° | 109.5° |
OM | CMZ | H7 | 109.5° | 109.5° |
OM | CMZ | H8 | 109.5° | 109.5° |
N3' | C | CA | 126.3° | 120.0° |
C | N3' | H14 | 110.1° | 120.0° |
C | CA | CB | 114.9° | 109.5° |
C | CA | N | 118.6° | 109.4° |
C | CA | H1 | 104.8° | 109.5° |
OM | CZ | CE1 | 121.4° | 120.1° |
OM | CZ | CE2 | 119.0° | 120.0° |
CE1 | CZ | CE2 | 119.7° | 119.9° |
CZ | CE1 | CD1 | 119.9° | 120.0° |
CZ | CE1 | H9 | 120.0° | 120.0° |
CZ | CE2 | CD2 | 120.6° | 119.9° |
CZ | CE2 | H5 | 119.7° | 120.1° |
CE1 | CD1 | CG | 120.2° | 120.1° |
CD1 | CE1 | H9 | 120.0° | 120.1° |
CE1 | CD1 | H10 | 119.9° | 120.0° |
CE2 | CD2 | CG | 120.0° | 120.0° |
CE2 | CD2 | H4 | 120.0° | 120.0° |
CD2 | CE2 | H5 | 119.7° | 120.0° |
CD1 | CG | CD2 | 119.7° | 120.1° |
CD1 | CG | CB | 117.9° | 120.0° |
CG | CD1 | H10 | 119.9° | 120.0° |
CD2 | CG | CB | 122.4° | 119.9° |
CG | CD2 | H4 | 120.0° | 120.0° |
CG | CB | CA | 116.7° | 109.5° |
CG | CB | H2 | 107.6° | 109.5° |
CG | CB | H3 | 107.6° | 109.5° |
CB | CA | N | 106.3° | 109.5° |
CB | CA | H1 | 105.0° | 109.5° |
CA | CB | H2 | 107.6° | 109.5° |
CA | CB | H3 | 107.6° | 109.4° |
N | CA | H1 | 106.0° | 109.5° |
CA | N | H11 | 109.5° | 111.0° |
CA | N | H12 | 109.5° | 111.0° |
H2 | CB | H3 | 109.5° | 109.5° |
H6 | CMZ | H7 | 109.5° | 109.5° |
H6 | CMZ | H8 | 109.5° | 109.5° |
H7 | CMZ | H8 | 109.5° | 109.5° |
H11 | N | H12 | 109.4° | 110.9° |
H17 | C5' | H18 | 109.5° | 109.5° |
H24 | N6 | H25 | 109.5° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N6 | C6 | C5 | N7 | 1.3° | 0.0° |
N6 | C6 | C5 | N1 | 179.7° | 179.9° |
N6 | C6 | C5 | C4 | 179.8° | 179.7° |
N6 | C6 | N1 | C2 | 179.6° | 179.9° |
C6 | N6 | H24 | H25 | 120.0° | 179.9° |
N7 | C5 | C6 | C4 | 178.5° | 179.7° |
N7 | C5 | C6 | N1 | 179.0° | 180.0° |
C5 | N7 | C8 | N9 | 0.3° | 0.0° |
N7 | C5 | C4 | N9 | 0.3° | 0.4° |
N7 | C5 | C4 | N3 | 179.1° | 180.0° |
C5 | N7 | C8 | H23 | 179.7° | 179.9° |
C8 | N7 | C5 | C6 | 178.6° | 180.0° |
C8 | N7 | C5 | C4 | 0.0° | 0.3° |
N7 | C8 | N9 | H23 | 180.0° | 179.9° |
N7 | C8 | N9 | C4 | 0.5° | 0.2° |
N7 | C8 | N9 | C1' | 179.2° | 180.0° |
C5 | C6 | N1 | C2 | 0.7° | 0.0° |
C6 | C5 | C4 | N9 | 178.7° | 179.8° |
C6 | C5 | C4 | N3 | 0.1° | 0.2° |
C5 | C6 | N6 | H24 | 179.7° | 0.1° |
C5 | C6 | N6 | H25 | 60.3° | 180.0° |
N1 | C6 | C5 | C4 | 0.5° | 0.3° |
C6 | N1 | C2 | N3 | 0.4° | 0.3° |
N1 | C6 | N6 | H24 | 0.0° | 180.0° |
N1 | C6 | N6 | H25 | 120.0° | 0.1° |
C6 | N1 | C2 | H26 | 179.5° | 180.0° |
C5 | C4 | N9 | C8 | 0.5° | 0.4° |
C5 | C4 | N9 | N3 | 178.6° | 179.5° |
C5 | C4 | N9 | C1' | 179.3° | 179.9° |
C5 | C4 | N3 | C2 | 0.1° | 0.1° |
C8 | N9 | C4 | C1' | 178.8° | 179.7° |
C8 | N9 | C4 | N3 | 179.1° | 179.9° |
C8 | N9 | C1' | O4' | 133.8° | 19.2° |
C8 | N9 | C1' | C2' | 104.3° | 95.0° |
C8 | N9 | C1' | H22 | 13.9° | 142.1° |
N1 | C2 | N3 | C4 | 0.0° | 0.4° |
N1 | C2 | N3 | H26 | 180.0° | 179.7° |
N9 | C4 | N3 | C2 | 178.6° | 179.4° |
C4 | N9 | C1' | O4' | 44.7° | 161.1° |
C4 | N9 | C1' | C2' | 77.2° | 84.7° |
C4 | N9 | C1' | H22 | 164.6° | 38.2° |
C4 | N9 | C8 | H23 | 179.5° | 179.8° |
N3 | C4 | N9 | C1' | 2.1° | 0.4° |
C4 | N3 | C2 | H26 | 179.9° | 179.9° |
N9 | C1' | O4' | C2' | 128.3° | 118.6° |
N9 | C1' | O4' | H22 | 119.5° | 122.9° |
N9 | C1' | O4' | C4' | 178.2° | 158.6° |
N9 | C1' | C2' | H22 | 118.5° | 122.8° |
N9 | C1' | C2' | O2' | 75.6° | 86.1° |
N9 | C1' | C2' | C3' | 162.3° | 155.7° |
N9 | C1' | C2' | H20 | 45.9° | 37.5° |
C1' | N9 | C8 | H23 | 0.8° | 0.1° |
O4' | C1' | C2' | H22 | 113.1° | 118.5° |
C1' | O4' | C4' | C5' | 171.2° | 145.8° |
C1' | O4' | C4' | C3' | 47.0° | 26.4° |
O4' | C1' | C2' | O2' | 156.0° | 155.2° |
O4' | C1' | C2' | C3' | 33.9° | 37.0° |
C1' | O4' | C4' | H16 | 69.1° | 93.1° |
O4' | C1' | C2' | H20 | 82.5° | 81.2° |
C4' | O4' | C1' | C2' | 49.9° | 40.0° |
O4' | C4' | C5' | C3' | 119.3° | 117.8° |
O4' | C4' | C5' | H16 | 120.3° | 121.2° |
O4' | C4' | C3' | H16 | 117.0° | 119.6° |
O4' | C4' | C5' | O5' | 50.3° | 67.2° |
O4' | C4' | C3' | C2' | 24.4° | 2.0° |
O4' | C4' | C3' | N3' | 158.5° | 120.8° |
O4' | C4' | C3' | H15 | 83.7° | 116.8° |
O4' | C4' | C5' | H17 | 70.0° | 172.9° |
O4' | C4' | C5' | H18 | 170.5° | 52.8° |
C4' | O4' | C1' | H22 | 62.2° | 78.5° |
C1' | C2' | C3' | C4' | 5.3° | 20.9° |
C1' | C2' | O2' | C3' | 114.9° | 112.7° |
C1' | C2' | O2' | H20 | 120.6° | 123.6° |
C1' | C2' | C3' | H20 | 116.7° | 118.2° |
C1' | C2' | C3' | N3' | 129.9° | 97.8° |
C1' | C2' | C3' | H15 | 113.5° | 139.7° |
C1' | C2' | O2' | H21 | 180.0° | 67.3° |
C5' | C4' | C3' | H16 | 120.5° | 121.0° |
C4' | C5' | O5' | H17 | 120.2° | 120.0° |
C4' | C5' | O5' | H18 | 120.2° | 120.0° |
C5' | C4' | C3' | C2' | 146.9° | 121.4° |
C5' | C4' | C3' | N3' | 79.0° | 119.8° |
C5' | C4' | C3' | H15 | 38.8° | 2.6° |
C4' | C5' | H17 | H18 | 119.3° | 120.1° |
C4' | C5' | O5' | H19 | 180.0° | 180.0° |
C3' | C4' | C5' | O5' | 69.1° | 175.0° |
C4' | C3' | C2' | O2' | 123.0° | 139.1° |
C4' | C3' | C2' | N3' | 135.2° | 118.8° |
C4' | C3' | C2' | H15 | 108.2° | 118.8° |
C4' | C3' | N3' | H15 | 117.6° | 122.6° |
C4' | C3' | N3' | C | 0.7° | 88.3° |
C4' | C3' | N3' | H14 | 179.3° | 91.8° |
C3' | C4' | C5' | H17 | 170.7° | 55.0° |
C3' | C4' | C5' | H18 | 51.1° | 65.0° |
C4' | C3' | C2' | H20 | 111.4° | 97.2° |
O5' | C5' | C4' | H16 | 170.5° | 54.0° |
O5' | C5' | H17 | H18 | 119.3° | 120.0° |
O2' | C2' | C3' | H20 | 125.5° | 123.7° |
O2' | C2' | C3' | N3' | 12.2° | 20.4° |
O2' | C2' | C3' | H15 | 128.8° | 102.1° |
O2' | C2' | C1' | H22 | 42.9° | 36.7° |
C2' | C3' | N3' | H15 | 116.3° | 122.5° |
C2' | C3' | N3' | C | 126.8° | 156.8° |
C2' | C3' | N3' | H14 | 53.2° | 23.1° |
C2' | C3' | C4' | H16 | 92.6° | 117.6° |
C3' | C2' | O2' | H21 | 65.1° | 180.0° |
C3' | C2' | C1' | H22 | 79.2° | 81.5° |
C3' | N3' | C | O | 11.9° | 0.1° |
C3' | N3' | C | H14 | 180.0° | 179.9° |
C3' | N3' | C | CA | 164.2° | 179.7° |
N3' | C3' | C4' | H16 | 41.5° | 1.2° |
N3' | C3' | C2' | H20 | 113.3° | 144.0° |
O | C | N3' | CA | 176.1° | 179.6° |
O | C | CA | CB | 40.8° | 99.9° |
O | C | CA | N | 168.1° | 20.1° |
O | C | CA | H1 | 73.9° | 140.0° |
O | C | N3' | H14 | 168.1° | 180.0° |
CMZ | OM | CZ | CE1 | 137.0° | 180.0° |
CMZ | OM | CZ | CE2 | 41.9° | 0.2° |
OM | CMZ | H6 | H7 | 120.0° | 120.0° |
OM | CMZ | H6 | H8 | 120.0° | 120.0° |
OM | CMZ | H7 | H8 | 120.0° | 120.0° |
N3' | C | CA | CB | 136.2° | 79.7° |
N3' | C | CA | N | 8.8° | 160.3° |
N3' | C | CA | H1 | 109.2° | 40.4° |
C | N3' | C3' | H15 | 116.9° | 34.3° |
C | CA | CB | CG | 41.2° | 175.0° |
C | CA | CB | N | 133.3° | 120.0° |
C | CA | CB | H1 | 114.6° | 120.0° |
C | CA | N | H1 | 117.4° | 119.9° |
C | CA | CB | H2 | 162.2° | 65.0° |
C | CA | CB | H3 | 79.9° | 55.0° |
C | CA | N | H11 | 180.0° | 63.9° |
C | CA | N | H12 | 60.0° | 60.0° |
CA | C | N3' | H14 | 15.8° | 0.4° |
OM | CZ | CE1 | CE2 | 178.8° | 179.8° |
OM | CZ | CE1 | CD1 | 179.4° | 180.0° |
OM | CZ | CE2 | CD2 | 179.2° | 179.8° |
OM | CZ | CE2 | H5 | 0.8° | 0.2° |
CZ | OM | CMZ | H6 | 180.0° | 60.0° |
CZ | OM | CMZ | H7 | 60.0° | 60.0° |
CZ | OM | CMZ | H8 | 60.0° | 180.0° |
OM | CZ | CE1 | H9 | 0.6° | 0.2° |
CZ | CE1 | CD1 | H9 | 180.0° | 179.8° |
CE1 | CZ | CE2 | CD2 | 0.3° | 0.0° |
CZ | CE1 | CD1 | CG | 0.2° | 0.5° |
CE1 | CZ | CE2 | H5 | 179.6° | 180.0° |
CZ | CE1 | CD1 | H10 | 179.8° | 180.0° |
CE2 | CZ | CE1 | CD1 | 0.5° | 0.2° |
CZ | CE2 | CD2 | H5 | 180.0° | 179.9° |
CZ | CE2 | CD2 | CG | 0.2° | 0.0° |
CZ | CE2 | CD2 | H4 | 179.8° | 180.0° |
CE2 | CZ | CE1 | H9 | 179.4° | 180.0° |
CE1 | CD1 | CG | H10 | 180.0° | 179.4° |
CE1 | CD1 | CG | CD2 | 0.4° | 0.6° |
CE1 | CD1 | CG | CB | 179.9° | 179.7° |
CE2 | CD2 | CG | CD1 | 0.6° | 0.3° |
CE2 | CD2 | CG | H4 | 180.0° | 180.0° |
CE2 | CD2 | CG | CB | 179.8° | 180.0° |
CD1 | CG | CD2 | CB | 179.6° | 179.7° |
CD1 | CG | CB | CA | 163.6° | 90.3° |
CD1 | CG | CB | H2 | 75.3° | 149.7° |
CD1 | CG | CB | H3 | 42.6° | 29.7° |
CD1 | CG | CD2 | H4 | 179.4° | 179.7° |
CG | CD1 | CE1 | H9 | 179.8° | 179.6° |
CD2 | CG | CB | CA | 16.0° | 90.0° |
CD2 | CG | CB | H2 | 105.0° | 30.0° |
CD2 | CG | CB | H3 | 137.0° | 150.0° |
CG | CD2 | CE2 | H5 | 179.8° | 179.9° |
CD2 | CG | CD1 | H10 | 179.6° | 180.0° |
CG | CB | CA | H2 | 121.0° | 120.0° |
CG | CB | CA | H3 | 121.0° | 120.0° |
CG | CB | CA | N | 92.1° | 65.0° |
CG | CB | CA | H1 | 155.8° | 55.0° |
CG | CB | H2 | H3 | 116.7° | 120.0° |
CB | CG | CD2 | H4 | 0.2° | 0.1° |
CB | CG | CD1 | H10 | 0.1° | 0.3° |
CB | CA | N | H1 | 111.3° | 120.0° |
CA | CB | H2 | H3 | 116.7° | 120.0° |
CB | CA | N | H11 | 48.7° | 176.1° |
CB | CA | N | H12 | 168.7° | 60.0° |
N | CA | CB | H2 | 28.9° | 55.0° |
N | CA | CB | H3 | 146.8° | 175.0° |
CA | N | H11 | H12 | 120.0° | 124.0° |
H1 | CA | CB | H2 | 83.2° | 175.0° |
H1 | CA | CB | H3 | 34.7° | 65.0° |
H1 | CA | N | H11 | 62.6° | 56.0° |
H1 | CA | N | H12 | 57.4° | 180.0° |
H4 | CD2 | CE2 | H5 | 0.2° | 0.0° |
H6 | CMZ | H7 | H8 | 120.0° | 120.0° |
H9 | CE1 | CD1 | H10 | 0.2° | 0.2° |
H14 | N3' | C3' | H15 | 63.1° | 145.6° |
H15 | C3' | C4' | H16 | 159.3° | 123.6° |
H15 | C3' | C2' | H20 | 3.2° | 21.6° |
H16 | C4' | C5' | H17 | 50.3° | 66.0° |
H16 | C4' | C5' | H18 | 69.2° | 174.0° |
H17 | C5' | O5' | H19 | 59.8° | 60.0° |
H18 | C5' | O5' | H19 | 59.8° | 60.0° |
H20 | C2' | O2' | H21 | 59.5° | 56.4° |
H20 | C2' | C1' | H22 | 164.3° | 160.3° |