5JV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CE | CD | doub | 1.33Å | 1.32Å | |
OA | CA | doub | 1.21Å | 1.26Å | |
CB | CA | sing | 1.51Å | 1.48Å | |
CB | CG | sing | 1.53Å | 1.52Å | |
CA | OB | sing | 1.34Å | 1.25Å | |
CD | CG | sing | 1.51Å | 1.50Å | |
CD | N2 | sing | 1.36Å | 1.51Å | |
N2 | C4A | doub | 1.30Å | 1.26Å | |
O3 | C3 | sing | 1.36Å | 1.37Å | |
C4A | C4 | sing | 1.47Å | 1.50Å | |
C3 | C4 | doub | 1.41Å | 1.41Å | Aromatic |
C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
C2A | C2 | sing | 1.51Å | 1.52Å | |
C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
C2 | N1 | doub | 1.32Å | 1.36Å | Aromatic |
O3P | P | doub | 1.48Å | 1.51Å | |
C5 | C5A | sing | 1.51Å | 1.53Å | |
C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
N1 | C6 | sing | 1.32Å | 1.32Å | Aromatic |
O4P | C5A | sing | 1.43Å | 1.42Å | |
O4P | P | sing | 1.61Å | 1.61Å | |
P | O1P | sing | 1.61Å | 1.51Å | |
P | O2P | sing | 1.61Å | 1.49Å | |
OB | H1 | sing | 0.97Å | 0.95Å | |
CB | H2 | sing | 1.09Å | 1.10Å | |
CB | H3 | sing | 1.09Å | 1.10Å | |
CG | H4 | sing | 1.09Å | 1.10Å | |
CG | H5 | sing | 1.09Å | 1.10Å | |
CE | H6 | sing | 1.08Å | 1.08Å | |
CE | H7 | sing | 1.08Å | 1.08Å | |
C4A | H8 | sing | 1.08Å | 1.08Å | |
O3 | H9 | sing | 0.97Å | 0.95Å | |
C2A | H10 | sing | 1.09Å | 1.10Å | |
C2A | H11 | sing | 1.09Å | 1.10Å | |
C2A | H12 | sing | 1.09Å | 1.10Å | |
C6 | H13 | sing | 1.08Å | 1.08Å | |
C5A | H14 | sing | 1.09Å | 1.10Å | |
C5A | H15 | sing | 1.09Å | 1.10Å | |
O1P | H16 | sing | 0.97Å | 0.95Å | |
O2P | H17 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CE | CD | CG | 119.3° | 120.0° |
CE | CD | N2 | 117.6° | 120.0° |
CD | CE | H6 | 120.0° | 120.0° |
CD | CE | H7 | 120.0° | 120.1° |
OA | CA | CB | 113.9° | 120.1° |
OA | CA | OB | 127.4° | 119.9° |
CA | CB | CG | 113.8° | 109.5° |
CB | CA | OB | 118.7° | 120.0° |
CA | CB | H2 | 108.4° | 109.5° |
CA | CB | H3 | 108.4° | 109.5° |
CB | CG | CD | 114.3° | 109.5° |
CG | CB | H2 | 108.4° | 109.5° |
CG | CB | H3 | 108.4° | 109.4° |
CB | CG | H4 | 108.3° | 109.5° |
CB | CG | H5 | 108.3° | 109.4° |
CA | OB | H1 | 109.5° | 117.0° |
CG | CD | N2 | 123.0° | 120.0° |
CD | CG | H4 | 108.2° | 109.5° |
CD | CG | H5 | 108.2° | 109.5° |
CD | N2 | C4A | 124.6° | 120.0° |
N2 | C4A | C4 | 120.5° | 120.0° |
N2 | C4A | H8 | 119.8° | 120.0° |
O3 | C3 | C4 | 122.7° | 120.6° |
O3 | C3 | C2 | 117.5° | 120.6° |
C3 | O3 | H9 | 109.5° | 114.0° |
C4A | C4 | C3 | 122.5° | 121.0° |
C4A | C4 | C5 | 119.6° | 121.0° |
C4 | C4A | H8 | 119.7° | 120.0° |
C4 | C3 | C2 | 119.8° | 118.8° |
C3 | C4 | C5 | 117.9° | 118.0° |
C3 | C2 | C2A | 119.1° | 119.6° |
C3 | C2 | N1 | 120.2° | 120.8° |
C2A | C2 | N1 | 120.7° | 119.6° |
C2 | C2A | H10 | 109.5° | 109.5° |
C2 | C2A | H11 | 109.5° | 109.5° |
C2 | C2A | H12 | 109.5° | 109.5° |
C4 | C5 | C5A | 123.4° | 120.5° |
C4 | C5 | C6 | 119.6° | 119.1° |
C2 | N1 | C6 | 121.7° | 122.2° |
O3P | P | O4P | 106.1° | 109.4° |
O3P | P | O1P | 114.6° | 109.5° |
O3P | P | O2P | 114.7° | 109.5° |
C5A | C5 | C6 | 117.0° | 120.5° |
C5 | C5A | O4P | 110.8° | 109.5° |
C5 | C5A | H14 | 109.1° | 109.5° |
C5 | C5A | H15 | 109.2° | 109.5° |
C5 | C6 | N1 | 120.7° | 121.0° |
C5 | C6 | H13 | 119.6° | 119.5° |
N1 | C6 | H13 | 119.7° | 119.5° |
C5A | O4P | P | 120.7° | 123.0° |
O4P | C5A | H14 | 109.1° | 109.4° |
O4P | C5A | H15 | 109.1° | 109.5° |
O4P | P | O1P | 101.0° | 109.5° |
O4P | P | O2P | 107.1° | 109.5° |
O1P | P | O2P | 112.0° | 109.5° |
P | O1P | H16 | 109.5° | 114.0° |
P | O2P | H17 | 109.5° | 114.0° |
H2 | CB | H3 | 109.5° | 109.4° |
H4 | CG | H5 | 109.5° | 109.5° |
H6 | CE | H7 | 120.0° | 120.0° |
H10 | C2A | H11 | 109.5° | 109.5° |
H10 | C2A | H12 | 109.5° | 109.5° |
H11 | C2A | H12 | 109.5° | 109.5° |
H14 | C5A | H15 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CE | CD | CG | CB | 21.4° | 95.0° |
CE | CD | CG | N2 | 179.7° | 180.0° |
CE | CD | N2 | C4A | 148.7° | 180.0° |
CE | CD | CG | H4 | 99.3° | 25.0° |
CE | CD | CG | H5 | 142.1° | 145.0° |
CD | CE | H6 | H7 | 180.0° | 179.9° |
OA | CA | CB | OB | 179.4° | 179.8° |
OA | CA | CB | CG | 162.9° | 0.1° |
OA | CA | OB | H1 | 0.0° | 0.1° |
OA | CA | CB | H2 | 76.5° | 120.0° |
OA | CA | CB | H3 | 42.3° | 120.0° |
CA | CB | CG | H2 | 120.6° | 120.0° |
CA | CB | CG | H3 | 120.7° | 120.0° |
CA | CB | CG | CD | 173.8° | 180.0° |
CB | CA | OB | H1 | 179.2° | 179.7° |
CA | CB | H2 | H3 | 118.0° | 120.0° |
CA | CB | CG | H4 | 53.1° | 60.0° |
CA | CB | CG | H5 | 65.5° | 60.0° |
CG | CB | CA | OB | 17.7° | 179.7° |
CB | CG | CD | H4 | 120.7° | 120.0° |
CB | CG | CD | H5 | 120.7° | 120.0° |
CB | CG | CD | N2 | 158.9° | 85.0° |
CG | CB | H2 | H3 | 118.0° | 120.0° |
CB | CG | H4 | H5 | 117.8° | 120.0° |
OB | CA | CB | H2 | 102.9° | 60.2° |
OB | CA | CB | H3 | 138.4° | 59.7° |
CG | CD | N2 | C4A | 31.6° | 0.0° |
CD | CG | CB | H2 | 65.5° | 59.9° |
CD | CG | CB | H3 | 53.2° | 60.0° |
CD | CG | H4 | H5 | 117.8° | 120.0° |
CG | CD | CE | H6 | 179.7° | 180.0° |
CG | CD | CE | H7 | 0.3° | 0.1° |
CD | N2 | C4A | C4 | 178.8° | 180.0° |
N2 | CD | CG | H4 | 80.4° | 155.0° |
N2 | CD | CG | H5 | 38.2° | 35.0° |
N2 | CD | CE | H6 | 0.0° | 0.0° |
N2 | CD | CE | H7 | 180.0° | 180.0° |
CD | N2 | C4A | H8 | 1.2° | 0.0° |
N2 | C4A | C4 | H8 | 180.0° | 180.0° |
N2 | C4A | C4 | C3 | 1.2° | 0.3° |
N2 | C4A | C4 | C5 | 176.5° | 180.0° |
O3 | C3 | C4 | C4A | 0.4° | 0.0° |
O3 | C3 | C4 | C2 | 179.6° | 180.0° |
O3 | C3 | C2 | C2A | 0.7° | 0.0° |
O3 | C3 | C4 | C5 | 178.2° | 179.8° |
O3 | C3 | C2 | N1 | 179.5° | 180.0° |
C4A | C4 | C3 | C5 | 177.7° | 179.8° |
C4A | C4 | C3 | C2 | 180.0° | 180.0° |
C4A | C4 | C5 | C5A | 1.1° | 0.0° |
C4A | C4 | C5 | C6 | 179.3° | 179.8° |
C4 | C3 | C2 | C2A | 178.9° | 180.0° |
C4 | C3 | C2 | N1 | 0.9° | 0.0° |
C3 | C4 | C5 | C5A | 178.9° | 179.7° |
C3 | C4 | C5 | C6 | 3.0° | 0.4° |
C3 | C4 | C4A | H8 | 178.8° | 179.7° |
C4 | C3 | O3 | H9 | 180.0° | 90.0° |
C3 | C2 | C2A | N1 | 179.8° | 180.0° |
C2 | C3 | C4 | C5 | 2.2° | 0.2° |
C3 | C2 | N1 | C6 | 0.2° | 0.0° |
C2 | C3 | O3 | H9 | 0.4° | 90.0° |
C3 | C2 | C2A | H10 | 179.8° | 90.0° |
C3 | C2 | C2A | H11 | 59.8° | 150.0° |
C3 | C2 | C2A | H12 | 60.2° | 30.0° |
C2A | C2 | N1 | C6 | 179.5° | 180.0° |
C2 | C2A | H10 | H11 | 120.0° | 120.0° |
C2 | C2A | H10 | H12 | 120.0° | 120.0° |
C2 | C2A | H11 | H12 | 120.0° | 120.0° |
C4 | C5 | C5A | C6 | 178.2° | 179.8° |
C4 | C5 | C6 | N1 | 2.4° | 0.5° |
C4 | C5 | C5A | O4P | 75.3° | 179.9° |
C5 | C4 | C4A | H8 | 3.5° | 0.0° |
C4 | C5 | C6 | H13 | 177.6° | 179.8° |
C4 | C5 | C5A | H14 | 164.5° | 60.0° |
C4 | C5 | C5A | H15 | 44.9° | 60.0° |
C2 | N1 | C6 | C5 | 1.0° | 0.2° |
N1 | C2 | C2A | H10 | 0.0° | 90.0° |
N1 | C2 | C2A | H11 | 120.0° | 30.0° |
N1 | C2 | C2A | H12 | 120.0° | 150.0° |
C2 | N1 | C6 | H13 | 179.0° | 180.0° |
O3P | P | O4P | C5A | 73.9° | 55.0° |
O3P | P | O4P | O1P | 119.8° | 120.0° |
O3P | P | O4P | O2P | 122.9° | 120.0° |
O3P | P | O1P | O2P | 132.8° | 120.0° |
O3P | P | O1P | H16 | 0.0° | 179.9° |
O3P | P | O2P | H17 | 0.0° | 60.0° |
C5A | C5 | C6 | N1 | 179.4° | 179.7° |
C5 | C5A | O4P | H14 | 120.2° | 120.0° |
C5 | C5A | O4P | H15 | 120.2° | 120.0° |
C5 | C5A | O4P | P | 158.6° | 180.0° |
C5A | C5 | C6 | H13 | 0.6° | 0.0° |
C5 | C5A | H14 | H15 | 119.4° | 120.0° |
C5 | C6 | N1 | H13 | 180.0° | 179.7° |
C6 | C5 | C5A | O4P | 102.9° | 0.2° |
C6 | C5 | C5A | H14 | 17.3° | 120.2° |
C6 | C5 | C5A | H15 | 136.9° | 119.8° |
C5A | O4P | P | O1P | 166.4° | 65.0° |
C5A | O4P | P | O2P | 49.1° | 175.0° |
O4P | C5A | H14 | H15 | 119.4° | 120.0° |
O4P | P | O1P | O2P | 113.6° | 120.0° |
P | O4P | C5A | H14 | 81.2° | 60.0° |
P | O4P | C5A | H15 | 38.4° | 60.0° |
O4P | P | O1P | H16 | 113.5° | 59.9° |
O4P | P | O2P | H17 | 117.4° | 180.0° |
O1P | P | O2P | H17 | 132.8° | 60.0° |
O2P | P | O1P | H16 | 132.8° | 60.0° |
H2 | CB | CG | H4 | 173.8° | 180.0° |
H2 | CB | CG | H5 | 55.2° | 60.1° |
H3 | CB | CG | H4 | 67.5° | 60.0° |
H3 | CB | CG | H5 | 173.9° | 180.0° |
H10 | C2A | H11 | H12 | 120.0° | 120.0° |