O3Z
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C6 | doub | 1.32Å | 1.36Å | Aromatic |
N1 | C2 | sing | 1.32Å | 1.36Å | Aromatic |
O3P | P | doub | 1.48Å | 1.52Å | |
C6 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
O4P | P | sing | 1.61Å | 1.66Å | |
O4P | C5A | sing | 1.43Å | 1.37Å | |
C2A | C2 | sing | 1.51Å | 1.47Å | |
C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
P | O2P | sing | 1.61Å | 1.56Å | |
P | O1P | sing | 1.61Å | 1.57Å | |
C5 | C5A | sing | 1.51Å | 1.48Å | |
C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
C3 | O3 | sing | 1.36Å | 1.35Å | |
C4 | C4A | sing | 1.51Å | 1.55Å | |
C4A | N | sing | 1.47Å | 1.55Å | |
N | CA | sing | 1.47Å | 1.50Å | |
CA | CB | sing | 1.53Å | 1.49Å | |
CA | C | sing | 1.51Å | 1.52Å | |
CB | OG | sing | 1.43Å | 1.44Å | |
C | OXT | doub | 1.21Å | 1.20Å | |
C | O | sing | 1.34Å | 1.22Å | |
C6 | H1 | sing | 1.08Å | 1.08Å | |
O | H2 | sing | 0.97Å | 0.95Å | |
CA | H3 | sing | 1.09Å | 1.10Å | |
CB | H4 | sing | 1.09Å | 1.10Å | |
CB | H5 | sing | 1.09Å | 1.10Å | |
OG | H6 | sing | 0.97Å | 0.95Å | |
N | H7 | sing | 1.01Å | 1.00Å | |
C4A | H9 | sing | 1.09Å | 1.10Å | |
C4A | H10 | sing | 1.09Å | 1.10Å | |
O3 | H11 | sing | 0.97Å | 0.95Å | |
C2A | H12 | sing | 1.09Å | 1.10Å | |
C2A | H13 | sing | 1.09Å | 1.10Å | |
C2A | H14 | sing | 1.09Å | 1.10Å | |
C5A | H15 | sing | 1.09Å | 1.10Å | |
C5A | H16 | sing | 1.09Å | 1.10Å | |
O1P | H17 | sing | 0.97Å | 0.95Å | |
O2P | H18 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C6 | N1 | C2 | 119.0° | 121.8° |
N1 | C6 | C5 | 119.9° | 120.9° |
N1 | C6 | H1 | 120.0° | 119.6° |
N1 | C2 | C2A | 120.0° | 119.7° |
N1 | C2 | C3 | 121.8° | 120.6° |
O3P | P | O4P | 94.4° | 109.5° |
O3P | P | O2P | 108.5° | 109.5° |
O3P | P | O1P | 112.6° | 109.5° |
C6 | C5 | C5A | 125.1° | 120.4° |
C6 | C5 | C4 | 121.1° | 119.2° |
C5 | C6 | H1 | 120.0° | 119.5° |
P | O4P | C5A | 113.2° | 123.0° |
O4P | P | O2P | 109.2° | 109.4° |
O4P | P | O1P | 115.1° | 109.4° |
O4P | C5A | C5 | 118.7° | 109.5° |
O4P | C5A | H15 | 107.1° | 109.4° |
O4P | C5A | H16 | 107.1° | 109.5° |
C2A | C2 | C3 | 118.1° | 119.7° |
C2 | C2A | H12 | 109.5° | 109.5° |
C2 | C2A | H13 | 109.5° | 109.5° |
C2 | C2A | H14 | 109.5° | 109.5° |
C2 | C3 | C4 | 120.5° | 119.1° |
C2 | C3 | O3 | 121.6° | 120.4° |
O2P | P | O1P | 115.1° | 109.4° |
P | O2P | H18 | 109.5° | 114.0° |
P | O1P | H17 | 109.5° | 114.0° |
C5A | C5 | C4 | 113.7° | 120.4° |
C5 | C5A | H15 | 107.1° | 109.5° |
C5 | C5A | H16 | 107.1° | 109.5° |
C5 | C4 | C3 | 117.5° | 118.4° |
C5 | C4 | C4A | 126.7° | 120.8° |
C4 | C3 | O3 | 117.9° | 120.5° |
C3 | C4 | C4A | 115.4° | 120.8° |
C3 | O3 | H11 | 109.5° | 114.0° |
C4 | C4A | N | 100.9° | 109.5° |
C4 | C4A | H9 | 111.6° | 109.4° |
C4 | C4A | H10 | 111.5° | 109.5° |
C4A | N | CA | 130.5° | 111.0° |
C4A | N | H7 | 104.0° | 111.0° |
N | C4A | H9 | 111.6° | 109.5° |
N | C4A | H10 | 111.6° | 109.5° |
N | CA | CB | 116.8° | 109.5° |
N | CA | C | 114.0° | 109.5° |
N | CA | H3 | 107.3° | 109.5° |
CA | N | H7 | 104.0° | 111.0° |
CB | CA | C | 103.6° | 109.5° |
CA | CB | OG | 113.5° | 109.5° |
CB | CA | H3 | 107.5° | 109.5° |
CA | CB | H4 | 108.5° | 109.5° |
CA | CB | H5 | 108.4° | 109.5° |
CA | C | OXT | 115.3° | 120.0° |
CA | C | O | 126.4° | 120.0° |
C | CA | H3 | 107.1° | 109.5° |
OG | CB | H4 | 108.5° | 109.5° |
OG | CB | H5 | 108.4° | 109.5° |
CB | OG | H6 | 109.5° | 114.0° |
OXT | C | O | 118.4° | 120.0° |
C | O | H2 | 109.5° | 117.0° |
H4 | CB | H5 | 109.5° | 109.4° |
H9 | C4A | H10 | 109.4° | 109.4° |
H12 | C2A | H13 | 109.4° | 109.4° |
H12 | C2A | H14 | 109.5° | 109.5° |
H13 | C2A | H14 | 109.5° | 109.5° |
H15 | C5A | H16 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C6 | C5 | H1 | 180.0° | 180.0° |
C6 | N1 | C2 | C2A | 179.1° | 180.0° |
C6 | N1 | C2 | C3 | 2.3° | 0.0° |
N1 | C6 | C5 | C5A | 177.2° | 180.0° |
N1 | C6 | C5 | C4 | 1.7° | 0.5° |
C2 | N1 | C6 | C5 | 0.6° | 0.3° |
N1 | C2 | C2A | C3 | 176.9° | 180.0° |
N1 | C2 | C3 | C4 | 1.5° | 0.0° |
N1 | C2 | C3 | O3 | 179.4° | 179.7° |
C2 | N1 | C6 | H1 | 179.3° | 179.7° |
N1 | C2 | C2A | H12 | 0.0° | 90.0° |
N1 | C2 | C2A | H13 | 120.0° | 30.0° |
N1 | C2 | C2A | H14 | 120.0° | 150.0° |
O3P | P | O4P | O2P | 111.3° | 120.0° |
O3P | P | O4P | O1P | 117.5° | 120.1° |
O3P | P | O4P | C5A | 150.5° | 55.0° |
O3P | P | O2P | O1P | 127.2° | 120.1° |
O3P | P | O1P | H17 | 0.0° | 59.9° |
O3P | P | O2P | H18 | 0.0° | 180.0° |
C6 | C5 | C5A | O4P | 8.7° | 0.0° |
C6 | C5 | C5A | C4 | 179.0° | 179.4° |
C6 | C5 | C4 | C3 | 2.4° | 0.5° |
C6 | C5 | C4 | C4A | 174.6° | 179.4° |
C6 | C5 | C5A | H15 | 130.0° | 120.0° |
C6 | C5 | C5A | H16 | 112.7° | 120.0° |
O4P | P | O2P | O1P | 131.2° | 119.9° |
P | O4P | C5A | C5 | 173.6° | 180.0° |
P | O4P | C5A | H15 | 52.3° | 60.0° |
P | O4P | C5A | H16 | 65.1° | 60.0° |
O4P | P | O1P | H17 | 106.6° | 179.9° |
O4P | P | O2P | H18 | 101.6° | 60.0° |
C5A | O4P | P | O2P | 98.2° | 65.1° |
C5A | O4P | P | O1P | 33.0° | 175.0° |
O4P | C5A | C5 | H15 | 121.3° | 119.9° |
O4P | C5A | C5 | H16 | 121.3° | 120.0° |
O4P | C5A | C5 | C4 | 172.3° | 179.5° |
O4P | C5A | H15 | H16 | 115.8° | 120.0° |
C2A | C2 | C3 | C4 | 178.4° | 180.0° |
C2A | C2 | C3 | O3 | 2.5° | 0.3° |
C2 | C2A | H12 | H13 | 120.0° | 120.0° |
C2 | C2A | H12 | H14 | 120.0° | 120.0° |
C2 | C2A | H13 | H14 | 120.0° | 120.0° |
C2 | C3 | C4 | C5 | 0.9° | 0.2° |
C2 | C3 | C4 | O3 | 179.1° | 179.7° |
C2 | C3 | C4 | C4A | 173.9° | 179.7° |
C2 | C3 | O3 | H11 | 180.0° | 90.3° |
C3 | C2 | C2A | H12 | 177.0° | 90.0° |
C3 | C2 | C2A | H13 | 57.0° | 150.0° |
C3 | C2 | C2A | H14 | 63.0° | 30.0° |
O2P | P | O1P | H17 | 125.0° | 60.1° |
O1P | P | O2P | H18 | 127.2° | 59.9° |
C5A | C5 | C4 | C3 | 176.6° | 179.9° |
C5A | C5 | C4 | C4A | 4.5° | 0.0° |
C5A | C5 | C6 | H1 | 2.8° | 0.0° |
C5 | C5A | H15 | H16 | 115.8° | 120.1° |
C5 | C4 | C3 | C4A | 173.1° | 179.9° |
C5 | C4 | C3 | O3 | 178.3° | 180.0° |
C5 | C4 | C4A | N | 100.5° | 89.9° |
C4 | C5 | C6 | H1 | 178.3° | 179.4° |
C5 | C4 | C4A | H9 | 140.9° | 30.1° |
C5 | C4 | C4A | H10 | 18.1° | 150.0° |
C4 | C5 | C5A | H15 | 51.0° | 60.6° |
C4 | C5 | C5A | H16 | 66.4° | 59.4° |
C3 | C4 | C4A | N | 71.8° | 90.0° |
C3 | C4 | C4A | H9 | 46.8° | 150.0° |
C3 | C4 | C4A | H10 | 169.6° | 30.1° |
C4 | C3 | O3 | H11 | 0.9° | 90.0° |
O3 | C3 | C4 | C4A | 5.2° | 0.0° |
C4 | C4A | N | H9 | 118.6° | 120.0° |
C4 | C4A | N | H10 | 118.6° | 120.0° |
C4 | C4A | N | CA | 173.2° | 180.0° |
C4 | C4A | N | H7 | 64.1° | 56.0° |
C4 | C4A | H9 | H10 | 123.9° | 120.0° |
C4A | N | CA | H7 | 122.7° | 124.0° |
C4A | N | CA | CB | 49.6° | 85.0° |
C4A | N | CA | C | 71.3° | 155.0° |
C4A | N | CA | H3 | 170.2° | 35.0° |
N | C4A | H9 | H10 | 124.0° | 120.0° |
N | CA | CB | C | 126.3° | 120.0° |
N | CA | CB | H3 | 120.6° | 120.0° |
N | CA | C | H3 | 118.6° | 120.0° |
N | CA | CB | OG | 46.3° | 65.0° |
N | CA | C | OXT | 125.2° | 0.1° |
N | CA | C | O | 56.0° | 180.0° |
N | CA | CB | H4 | 74.3° | 55.0° |
N | CA | CB | H5 | 166.9° | 175.0° |
CA | N | C4A | H9 | 54.6° | 60.0° |
CA | N | C4A | H10 | 68.2° | 60.0° |
CB | CA | C | H3 | 113.4° | 120.0° |
CA | CB | OG | H4 | 120.6° | 120.0° |
CA | CB | OG | H5 | 120.6° | 120.0° |
CB | CA | C | OXT | 106.8° | 119.9° |
CB | CA | C | O | 72.0° | 60.0° |
CA | CB | H4 | H5 | 118.2° | 120.0° |
CA | CB | OG | H6 | 180.0° | 180.0° |
CB | CA | N | H7 | 73.1° | 151.0° |
C | CA | CB | OG | 80.0° | 55.0° |
CA | C | OXT | O | 178.9° | 179.9° |
CA | C | O | H2 | 178.8° | 180.0° |
C | CA | CB | H4 | 159.4° | 175.0° |
C | CA | CB | H5 | 40.6° | 65.0° |
C | CA | N | H7 | 165.9° | 31.0° |
OG | CB | CA | H3 | 166.9° | 175.0° |
OG | CB | H4 | H5 | 118.2° | 120.0° |
OXT | C | O | H2 | 0.0° | 0.1° |
OXT | C | CA | H3 | 6.6° | 120.0° |
O | C | CA | H3 | 174.6° | 60.1° |
H3 | CA | CB | H4 | 46.3° | 65.0° |
H3 | CA | CB | H5 | 72.5° | 55.0° |
H3 | CA | N | H7 | 47.5° | 89.0° |
H4 | CB | OG | H6 | 59.4° | 60.0° |
H5 | CB | OG | H6 | 59.4° | 59.9° |
H7 | N | C4A | H9 | 177.3° | 176.0° |
H7 | N | C4A | H10 | 54.5° | 64.0° |
H12 | C2A | H13 | H14 | 120.0° | 120.0° |