EPC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | N2 | sing | 1.46Å | 1.42Å | |
C | P2 | sing | 1.82Å | 1.68Å | |
C | CA | sing | 1.53Å | 1.60Å | |
C | H1C1 | sing | 1.09Å | 1.11Å | |
N2 | C4A | doub | 1.29Å | 1.28Å | |
N1 | C2 | doub | 1.32Å | 1.43Å | Aromatic |
N1 | C6 | sing | 1.32Å | 1.35Å | Aromatic |
C2 | C2A | sing | 1.51Å | 1.54Å | |
C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
C2A | H2A1 | sing | 1.09Å | 1.11Å | |
C2A | H2A2 | sing | 1.09Å | 1.12Å | |
C2A | H2A3 | sing | 1.09Å | 1.12Å | |
C3 | O1 | sing | 1.36Å | 1.39Å | |
C3 | C4 | doub | 1.40Å | 1.53Å | Aromatic |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C4 | C4A | sing | 1.48Å | 1.52Å | |
C4 | C5 | sing | 1.40Å | 1.43Å | Aromatic |
C4A | H4A1 | sing | 1.08Å | 1.10Å | |
C5 | C6 | doub | 1.38Å | 1.52Å | Aromatic |
C5 | C5A | sing | 1.51Å | 1.53Å | |
C6 | HC61 | sing | 1.08Å | 1.10Å | |
C5A | O2 | sing | 1.43Å | 1.41Å | |
C5A | H5A1 | sing | 1.09Å | 1.11Å | |
C5A | H5A2 | sing | 1.09Å | 1.12Å | |
O2 | P1 | sing | 1.61Å | 1.55Å | |
P1 | O3 | doub | 1.48Å | 1.53Å | |
P1 | O4 | sing | 1.61Å | 1.49Å | |
P1 | O5 | sing | 1.61Å | 1.53Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
P2 | O7 | doub | 1.48Å | 1.58Å | |
P2 | O8 | sing | 1.61Å | 1.53Å | |
P2 | O6 | sing | 1.61Å | 1.61Å | |
O8 | HO8 | sing | 0.97Å | 0.95Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
CA | HCA1 | sing | 1.09Å | 1.11Å | |
CA | HCA2 | sing | 1.09Å | 1.11Å | |
CA | HCA3 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N2 | C | P2 | 111.4° | 109.5° |
N2 | C | CA | 112.6° | 109.4° |
N2 | C | H1C1 | 107.0° | 109.5° |
C | N2 | C4A | 127.2° | 120.0° |
P2 | C | CA | 112.4° | 109.4° |
P2 | C | H1C1 | 107.2° | 109.5° |
C | P2 | O7 | 109.6° | 109.5° |
C | P2 | O8 | 106.6° | 109.5° |
C | P2 | O6 | 110.0° | 109.4° |
CA | C | H1C1 | 105.9° | 109.4° |
C | CA | HCA1 | 111.1° | 109.4° |
C | CA | HCA2 | 112.6° | 109.5° |
C | CA | HCA3 | 111.1° | 109.4° |
N2 | C4A | C4 | 119.4° | 120.0° |
N2 | C4A | H4A1 | 111.8° | 120.0° |
C2 | N1 | C6 | 123.4° | 122.2° |
N1 | C2 | C2A | 120.0° | 119.6° |
N1 | C2 | C3 | 119.4° | 120.8° |
N1 | C6 | C5 | 120.6° | 121.1° |
N1 | C6 | HC61 | 113.9° | 119.5° |
C2A | C2 | C3 | 120.5° | 119.6° |
C2 | C2A | H2A1 | 108.4° | 109.5° |
C2 | C2A | H2A2 | 120.0° | 109.5° |
C2 | C2A | H2A3 | 108.5° | 109.5° |
C2 | C3 | O1 | 119.1° | 120.6° |
C2 | C3 | C4 | 120.2° | 118.9° |
H2A1 | C2A | H2A2 | 108.4° | 109.4° |
H2A1 | C2A | H2A3 | 101.5° | 109.5° |
H2A2 | C2A | H2A3 | 108.4° | 109.5° |
O1 | C3 | C4 | 120.7° | 120.5° |
C3 | O1 | HO1 | 119.1° | 106.8° |
C3 | C4 | C4A | 118.8° | 121.0° |
C3 | C4 | C5 | 118.4° | 118.1° |
C4A | C4 | C5 | 122.8° | 121.0° |
C4 | C4A | H4A1 | 128.7° | 120.0° |
C4 | C5 | C6 | 117.9° | 119.0° |
C4 | C5 | C5A | 122.6° | 120.5° |
C6 | C5 | C5A | 119.5° | 120.5° |
C5 | C6 | HC61 | 125.5° | 119.4° |
C5 | C5A | O2 | 106.5° | 109.5° |
C5 | C5A | H5A1 | 113.3° | 109.5° |
C5 | C5A | H5A2 | 113.3° | 109.5° |
O2 | C5A | H5A1 | 113.3° | 109.5° |
O2 | C5A | H5A2 | 113.3° | 109.4° |
C5A | O2 | P1 | 112.0° | 106.8° |
H5A1 | C5A | H5A2 | 97.1° | 109.4° |
O2 | P1 | O3 | 108.1° | 109.5° |
O2 | P1 | O4 | 114.6° | 109.5° |
O2 | P1 | O5 | 105.0° | 109.5° |
O3 | P1 | O4 | 110.3° | 109.5° |
O3 | P1 | O5 | 114.6° | 109.4° |
O4 | P1 | O5 | 104.3° | 109.5° |
P1 | O4 | HO4 | 114.6° | 106.8° |
P1 | O5 | HO5 | 105.1° | 106.8° |
O7 | P2 | O8 | 113.4° | 109.5° |
O7 | P2 | O6 | 112.4° | 109.5° |
O8 | P2 | O6 | 104.6° | 109.5° |
P2 | O8 | HO8 | 106.6° | 106.8° |
P2 | O6 | HO6 | 110.0° | 106.8° |
HCA1 | CA | HCA2 | 111.1° | 109.5° |
HCA1 | CA | HCA3 | 99.3° | 109.5° |
HCA2 | CA | HCA3 | 111.0° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N2 | C | P2 | CA | 127.4° | 120.0° |
N2 | C | P2 | H1C1 | 116.7° | 120.1° |
N2 | C | CA | H1C1 | 116.5° | 120.0° |
C | N2 | C4A | C4 | 168.7° | 180.0° |
C | N2 | C4A | H4A1 | 11.3° | 0.0° |
N2 | C | P2 | O7 | 47.8° | 60.0° |
N2 | C | P2 | O8 | 75.3° | 180.0° |
N2 | C | P2 | O6 | 171.9° | 60.0° |
N2 | C | CA | HCA1 | 54.7° | 60.0° |
N2 | C | CA | HCA2 | 180.0° | 60.0° |
N2 | C | CA | HCA3 | 54.7° | 180.0° |
P2 | C | CA | H1C1 | 116.7° | 120.0° |
P2 | C | N2 | C4A | 159.6° | 120.0° |
C | P2 | O7 | O8 | 119.0° | 120.0° |
C | P2 | O7 | O6 | 122.7° | 119.9° |
C | P2 | O8 | O6 | 116.5° | 119.9° |
C | P2 | O8 | HO8 | 180.0° | 179.9° |
C | P2 | O6 | HO6 | 180.0° | 60.0° |
P2 | C | CA | HCA1 | 178.5° | 60.0° |
P2 | C | CA | HCA2 | 53.2° | 180.0° |
P2 | C | CA | HCA3 | 72.0° | 60.0° |
CA | C | N2 | C4A | 32.4° | 120.0° |
CA | C | P2 | O7 | 175.3° | 60.0° |
CA | C | P2 | O8 | 52.1° | 60.0° |
CA | C | P2 | O6 | 60.7° | 180.0° |
C | CA | HCA1 | HCA2 | 126.1° | 120.0° |
C | CA | HCA1 | HCA3 | 116.9° | 120.0° |
C | CA | HCA2 | HCA3 | 125.3° | 119.9° |
H1C1 | C | N2 | C4A | 83.5° | 0.0° |
H1C1 | C | P2 | O7 | 68.9° | 180.0° |
H1C1 | C | P2 | O8 | 168.0° | 59.9° |
H1C1 | C | P2 | O6 | 55.2° | 60.0° |
H1C1 | C | CA | HCA1 | 61.8° | 180.0° |
H1C1 | C | CA | HCA2 | 63.5° | 60.0° |
H1C1 | C | CA | HCA3 | 171.3° | 60.0° |
N2 | C4A | C4 | C3 | 0.1° | 0.0° |
N2 | C4A | C4 | H4A1 | 180.0° | 180.0° |
N2 | C4A | C4 | C5 | 177.5° | 179.7° |
N1 | C2 | C2A | C3 | 177.8° | 179.9° |
N1 | C2 | C2A | H2A1 | 54.7° | 90.0° |
N1 | C2 | C2A | H2A2 | 180.0° | 30.0° |
N1 | C2 | C2A | H2A3 | 54.7° | 150.0° |
N1 | C2 | C3 | O1 | 179.1° | 179.9° |
N1 | C2 | C3 | C4 | 0.7° | 0.1° |
C2 | N1 | C6 | C5 | 0.5° | 0.3° |
C2 | N1 | C6 | HC61 | 179.5° | 180.0° |
C6 | N1 | C2 | C2A | 177.3° | 179.9° |
C6 | N1 | C2 | C3 | 0.6° | 0.0° |
N1 | C6 | C5 | C4 | 1.3° | 0.6° |
N1 | C6 | C5 | HC61 | 180.0° | 179.7° |
N1 | C6 | C5 | C5A | 177.6° | 180.0° |
C2 | C2A | H2A1 | H2A2 | 131.9° | 120.0° |
C2 | C2A | H2A1 | H2A3 | 114.1° | 120.0° |
C2 | C2A | H2A2 | H2A3 | 125.3° | 120.0° |
C2A | C2 | C3 | O1 | 1.3° | 0.0° |
C2A | C2 | C3 | C4 | 177.1° | 180.0° |
C3 | C2 | C2A | H2A1 | 127.4° | 89.9° |
C3 | C2 | C2A | H2A2 | 2.2° | 150.1° |
C3 | C2 | C2A | H2A3 | 123.1° | 30.1° |
C2 | C3 | O1 | C4 | 178.4° | 180.0° |
C2 | C3 | O1 | HO1 | 180.0° | 90.0° |
C2 | C3 | C4 | C4A | 177.6° | 180.0° |
C2 | C3 | C4 | C5 | 0.1° | 0.3° |
H2A1 | C2A | H2A2 | H2A3 | 109.4° | 120.0° |
O1 | C3 | C4 | C4A | 0.8° | 0.0° |
O1 | C3 | C4 | C5 | 178.3° | 179.7° |
C4 | C3 | O1 | HO1 | 1.6° | 90.0° |
C3 | C4 | C4A | C5 | 177.4° | 179.7° |
C3 | C4 | C4A | H4A1 | 179.9° | 180.0° |
C3 | C4 | C5 | C6 | 1.0° | 0.6° |
C3 | C4 | C5 | C5A | 177.8° | 180.0° |
C4A | C4 | C5 | C6 | 178.4° | 179.7° |
C4A | C4 | C5 | C5A | 0.4° | 0.3° |
C5 | C4 | C4A | H4A1 | 2.5° | 0.3° |
C4 | C5 | C6 | C5A | 178.8° | 179.4° |
C4 | C5 | C6 | HC61 | 178.7° | 179.7° |
C4 | C5 | C5A | O2 | 67.3° | 179.4° |
C4 | C5 | C5A | H5A1 | 57.9° | 60.5° |
C4 | C5 | C5A | H5A2 | 167.4° | 59.4° |
C6 | C5 | C5A | O2 | 113.9° | 0.0° |
C6 | C5 | C5A | H5A1 | 120.9° | 120.1° |
C6 | C5 | C5A | H5A2 | 11.4° | 120.0° |
C5A | C5 | C6 | HC61 | 2.4° | 0.3° |
C5 | C5A | O2 | H5A1 | 125.3° | 120.1° |
C5 | C5A | O2 | H5A2 | 125.3° | 120.0° |
C5 | C5A | H5A1 | H5A2 | 119.3° | 120.0° |
C5 | C5A | O2 | P1 | 173.7° | 180.0° |
O2 | C5A | H5A1 | H5A2 | 119.2° | 119.9° |
C5A | O2 | P1 | O3 | 177.1° | 60.0° |
C5A | O2 | P1 | O4 | 59.5° | 180.0° |
C5A | O2 | P1 | O5 | 54.3° | 59.9° |
H5A1 | C5A | O2 | P1 | 48.5° | 59.9° |
H5A2 | C5A | O2 | P1 | 61.0° | 60.0° |
O2 | P1 | O3 | O4 | 126.0° | 120.0° |
O2 | P1 | O3 | O5 | 116.7° | 120.0° |
O2 | P1 | O4 | O5 | 114.2° | 120.0° |
O2 | P1 | O4 | HO4 | 180.0° | 180.0° |
O2 | P1 | O5 | HO5 | 180.0° | 60.0° |
O3 | P1 | O4 | O5 | 123.5° | 120.0° |
O3 | P1 | O4 | HO4 | 57.8° | 60.0° |
O3 | P1 | O5 | HO5 | 61.5° | 179.9° |
O4 | P1 | O5 | HO5 | 59.1° | 60.0° |
O5 | P1 | O4 | HO4 | 65.7° | 60.0° |
O7 | P2 | O8 | O6 | 122.7° | 120.0° |
O7 | P2 | O8 | HO8 | 59.3° | 60.0° |
O7 | P2 | O6 | HO6 | 57.6° | 180.0° |
O8 | P2 | O6 | HO6 | 65.9° | 59.9° |
O6 | P2 | O8 | HO8 | 63.5° | 60.0° |
HCA1 | CA | HCA2 | HCA3 | 109.5° | 120.1° |