OJQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C | sing | 1.36Å | 1.46Å | |
C | ND | doub | 1.31Å | 1.33Å | Aromatic |
C | CA | sing | 1.42Å | 1.48Å | Aromatic |
ND | OG | sing | 1.21Å | 1.32Å | Aromatic |
CA | N | sing | 1.40Å | 1.43Å | |
CA | CB | doub | 1.35Å | 1.37Å | Aromatic |
N | C4A | sing | 1.47Å | 1.50Å | |
C2A | C2 | sing | 1.51Å | 1.52Å | |
OG | CB | sing | 1.34Å | 1.38Å | Aromatic |
O1 | C3 | sing | 1.36Å | 1.34Å | |
O3P | P | doub | 1.48Å | 1.51Å | |
C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
C2 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
N1 | C6 | doub | 1.32Å | 1.33Å | Aromatic |
O4P | P | sing | 1.61Å | 1.63Å | |
O4P | C5A | sing | 1.43Å | 1.42Å | |
C4 | C4A | sing | 1.51Å | 1.52Å | |
C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
C6 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
C5 | C5A | sing | 1.51Å | 1.51Å | |
P | O1P | sing | 1.61Å | 1.52Å | |
P | O2P | sing | 1.61Å | 1.50Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
N | H1 | sing | 1.01Å | 1.00Å | |
O | H4 | sing | 0.97Å | 0.95Å | |
CB | HB1 | sing | 1.08Å | 1.08Å | |
C2A | H2A3 | sing | 1.09Å | 1.10Å | |
C2A | H2A1 | sing | 1.09Å | 1.10Å | |
C2A | H2A2 | sing | 1.09Å | 1.10Å | |
C4A | H4A | sing | 1.09Å | 1.10Å | |
C4A | H2 | sing | 1.09Å | 1.10Å | |
C5A | H5A2 | sing | 1.09Å | 1.10Å | |
C5A | H5A1 | sing | 1.09Å | 1.10Å | |
O1 | H3 | sing | 0.97Å | 0.95Å | |
O1P | H5 | sing | 0.97Å | 0.95Å | |
O2P | H7 | sing | 0.97Å | 0.95Å | |
N | H12 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | ND | 125.2° | 126.9° |
O | C | CA | 121.8° | 126.8° |
C | O | H4 | 109.5° | 114.0° |
ND | C | CA | 112.8° | 106.3° |
C | ND | OG | 103.6° | 111.5° |
C | CA | N | 126.2° | 128.0° |
C | CA | CB | 101.5° | 103.9° |
ND | OG | CB | 114.4° | 111.8° |
N | CA | CB | 131.5° | 128.0° |
CA | N | C4A | 116.1° | 109.5° |
CA | N | H1 | 107.8° | 109.5° |
CA | N | H12 | 107.8° | 109.5° |
CA | CB | OG | 107.3° | 106.6° |
CA | CB | HB1 | 126.3° | 126.7° |
N | C4A | C4 | 107.4° | 109.5° |
C4A | N | H1 | 107.8° | 109.5° |
N | C4A | H4A | 110.0° | 109.5° |
N | C4A | H2 | 110.0° | 109.4° |
C4A | N | H12 | 107.8° | 109.5° |
C2A | C2 | C3 | 121.6° | 119.6° |
C2A | C2 | N1 | 118.1° | 119.6° |
C2 | C2A | H2A3 | 109.5° | 109.5° |
C2 | C2A | H2A1 | 109.5° | 109.5° |
C2 | C2A | H2A2 | 109.5° | 109.4° |
OG | CB | HB1 | 126.3° | 126.7° |
O1 | C3 | C2 | 120.0° | 120.5° |
O1 | C3 | C4 | 120.4° | 120.5° |
C3 | O1 | H3 | 109.5° | 114.0° |
O3P | P | O4P | 102.6° | 109.5° |
O3P | P | O1P | 112.2° | 109.5° |
O3P | P | O2P | 114.6° | 109.5° |
C3 | C2 | N1 | 120.2° | 120.7° |
C2 | C3 | C4 | 119.7° | 119.0° |
C2 | N1 | C6 | 121.9° | 121.7° |
C3 | C4 | C4A | 119.4° | 120.8° |
C3 | C4 | C5 | 118.6° | 118.4° |
N1 | C6 | C5 | 119.8° | 120.9° |
N1 | C6 | H6 | 120.1° | 119.5° |
P | O4P | C5A | 115.9° | 123.0° |
O4P | P | O1P | 108.5° | 109.4° |
O4P | P | O2P | 107.5° | 109.5° |
O4P | C5A | C5 | 108.0° | 109.4° |
O4P | C5A | H5A2 | 109.8° | 109.5° |
O4P | C5A | H5A1 | 109.8° | 109.4° |
C4A | C4 | C5 | 122.1° | 120.8° |
C4 | C4A | H4A | 110.0° | 109.5° |
C4 | C4A | H2 | 110.0° | 109.5° |
C4 | C5 | C6 | 119.7° | 119.3° |
C4 | C5 | C5A | 122.6° | 120.3° |
C6 | C5 | C5A | 117.7° | 120.4° |
C5 | C6 | H6 | 120.0° | 119.6° |
C5 | C5A | H5A2 | 109.8° | 109.5° |
C5 | C5A | H5A1 | 109.8° | 109.5° |
O1P | P | O2P | 110.8° | 109.5° |
P | O1P | H5 | 109.5° | 114.0° |
P | O2P | H7 | 109.5° | 114.0° |
H1 | N | H12 | 109.5° | 109.4° |
H2A3 | C2A | H2A1 | 109.5° | 109.5° |
H2A3 | C2A | H2A2 | 109.5° | 109.5° |
H2A1 | C2A | H2A2 | 109.5° | 109.4° |
H4A | C4A | H2 | 109.5° | 109.5° |
H5A2 | C5A | H5A1 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | ND | CA | 175.5° | 180.0° |
O | C | ND | OG | 178.9° | 179.8° |
O | C | CA | N | 8.3° | 0.0° |
O | C | CA | CB | 178.8° | 179.7° |
ND | C | CA | N | 176.1° | 180.0° |
ND | C | CA | CB | 5.6° | 0.3° |
C | ND | OG | CB | 0.1° | 0.0° |
ND | C | O | H4 | 0.0° | 90.0° |
CA | C | ND | OG | 3.5° | 0.2° |
C | CA | N | CB | 167.5° | 179.7° |
C | CA | N | C4A | 120.6° | 85.3° |
C | CA | CB | OG | 5.2° | 0.3° |
C | CA | N | H1 | 118.4° | 154.7° |
CA | C | O | H4 | 175.1° | 90.0° |
C | CA | CB | HB1 | 174.8° | 179.8° |
C | CA | N | H12 | 0.3° | 34.8° |
ND | OG | CB | CA | 3.8° | 0.2° |
ND | OG | CB | HB1 | 176.2° | 179.8° |
CA | N | C4A | H1 | 120.9° | 120.0° |
CA | N | C4A | H12 | 121.0° | 120.1° |
N | CA | CB | OG | 174.9° | 180.0° |
CA | N | C4A | C4 | 175.9° | 180.0° |
CA | N | H1 | H12 | 117.0° | 120.0° |
N | CA | CB | HB1 | 5.1° | 0.0° |
CA | N | C4A | H4A | 56.2° | 60.0° |
CA | N | C4A | H2 | 64.4° | 60.0° |
CB | CA | N | C4A | 46.9° | 95.0° |
CA | CB | OG | HB1 | 180.0° | 179.9° |
CB | CA | N | H1 | 74.0° | 25.0° |
CB | CA | N | H12 | 167.8° | 144.9° |
N | C4A | C4 | C3 | 63.4° | 90.0° |
N | C4A | C4 | H4A | 119.7° | 120.0° |
N | C4A | C4 | H2 | 119.7° | 120.0° |
N | C4A | C4 | C5 | 116.3° | 90.1° |
C4A | N | H1 | H12 | 117.0° | 119.9° |
N | C4A | H4A | H2 | 121.0° | 120.0° |
C2A | C2 | C3 | O1 | 1.1° | 0.4° |
C2A | C2 | C3 | N1 | 178.2° | 180.0° |
C2A | C2 | C3 | C4 | 179.4° | 180.0° |
C2A | C2 | N1 | C6 | 179.0° | 179.9° |
C2 | C2A | H2A3 | H2A1 | 120.0° | 120.1° |
C2 | C2A | H2A3 | H2A2 | 120.0° | 120.0° |
C2 | C2A | H2A1 | H2A2 | 120.0° | 119.9° |
O1 | C3 | C2 | C4 | 179.5° | 179.7° |
O1 | C3 | C2 | N1 | 179.3° | 179.7° |
O1 | C3 | C4 | C4A | 0.5° | 0.4° |
O1 | C3 | C4 | C5 | 179.8° | 179.7° |
O3P | P | O4P | O1P | 118.9° | 120.0° |
O3P | P | O4P | O2P | 121.2° | 120.0° |
O3P | P | O4P | C5A | 176.9° | 55.0° |
O3P | P | O1P | O2P | 129.6° | 120.0° |
O3P | P | O1P | H5 | 0.0° | 60.0° |
O3P | P | O2P | H7 | 0.0° | 180.0° |
C3 | C2 | N1 | C6 | 0.7° | 0.0° |
C2 | C3 | C4 | C4A | 179.1° | 180.0° |
C2 | C3 | C4 | C5 | 0.6° | 0.1° |
C3 | C2 | C2A | H2A3 | 178.3° | 89.9° |
C3 | C2 | C2A | H2A1 | 61.7° | 150.0° |
C3 | C2 | C2A | H2A2 | 58.3° | 30.1° |
C2 | C3 | O1 | H3 | 180.0° | 90.3° |
N1 | C2 | C3 | C4 | 1.1° | 0.0° |
C2 | N1 | C6 | C5 | 0.3° | 0.0° |
C2 | N1 | C6 | H6 | 179.7° | 180.0° |
N1 | C2 | C2A | H2A3 | 0.0° | 90.0° |
N1 | C2 | C2A | H2A1 | 120.0° | 30.1° |
N1 | C2 | C2A | H2A2 | 120.0° | 150.0° |
C3 | C4 | C4A | C5 | 179.7° | 179.9° |
C3 | C4 | C5 | C6 | 0.3° | 0.1° |
C3 | C4 | C5 | C5A | 180.0° | 180.0° |
C3 | C4 | C4A | H4A | 56.3° | 149.9° |
C3 | C4 | C4A | H2 | 176.9° | 29.9° |
C4 | C3 | O1 | H3 | 0.4° | 90.1° |
N1 | C6 | C5 | C4 | 0.8° | 0.0° |
N1 | C6 | C5 | H6 | 180.0° | 180.0° |
N1 | C6 | C5 | C5A | 179.5° | 180.0° |
P | O4P | C5A | C5 | 171.5° | 180.0° |
O4P | P | O1P | O2P | 117.8° | 120.0° |
P | O4P | C5A | H5A2 | 51.8° | 59.9° |
P | O4P | C5A | H5A1 | 68.7° | 60.1° |
O4P | P | O1P | H5 | 112.6° | 180.0° |
O4P | P | O2P | H7 | 113.4° | 60.0° |
O4P | C5A | C5 | C4 | 68.8° | 179.9° |
O4P | C5A | C5 | C6 | 111.5° | 0.0° |
O4P | C5A | C5 | H5A2 | 119.8° | 120.0° |
O4P | C5A | C5 | H5A1 | 119.7° | 119.9° |
C5A | O4P | P | O1P | 64.2° | 175.0° |
C5A | O4P | P | O2P | 55.7° | 65.1° |
O4P | C5A | H5A2 | H5A1 | 120.7° | 120.0° |
C4A | C4 | C5 | C6 | 180.0° | 180.0° |
C4A | C4 | C5 | C5A | 0.3° | 0.0° |
C4 | C4A | N | H1 | 63.2° | 60.0° |
C4 | C4A | H4A | H2 | 120.9° | 120.0° |
C4 | C4A | N | H12 | 54.9° | 59.9° |
C4 | C5 | C6 | C5A | 179.7° | 180.0° |
C4 | C5 | C6 | H6 | 179.2° | 180.0° |
C5 | C4 | C4A | H4A | 124.0° | 30.0° |
C5 | C4 | C4A | H2 | 3.4° | 150.0° |
C4 | C5 | C5A | H5A2 | 51.0° | 60.0° |
C4 | C5 | C5A | H5A1 | 171.5° | 60.0° |
C6 | C5 | C5A | H5A2 | 128.7° | 120.0° |
C6 | C5 | C5A | H5A1 | 8.2° | 120.0° |
C5A | C5 | C6 | H6 | 0.5° | 0.0° |
C5 | C5A | H5A2 | H5A1 | 120.7° | 120.0° |
O1P | P | O2P | H7 | 128.2° | 60.0° |
O2P | P | O1P | H5 | 129.6° | 60.0° |
H1 | N | C4A | H4A | 177.2° | 60.0° |
H1 | N | C4A | H2 | 56.5° | 180.0° |
H2A3 | C2A | H2A1 | H2A2 | 120.0° | 120.0° |
H4A | C4A | N | H12 | 64.7° | 180.0° |
H2 | C4A | N | H12 | 174.6° | 60.0° |