P4D
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | CG | sing | 1.51Å | 1.51Å | |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H1A | sing | 1.09Å | 1.10Å | |
N1 | C2 | sing | 1.47Å | 1.48Å | |
N1 | HN1 | sing | 1.01Å | 1.00Å | |
N1 | HN1A | sing | 1.01Å | 1.00Å | |
C2 | P3 | sing | 1.82Å | 1.83Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O32 | P3 | doub | 1.48Å | 1.57Å | |
O31 | P3 | sing | 1.61Å | 1.51Å | |
P3 | C4 | sing | 1.82Å | 1.80Å | |
C4 | C5 | sing | 1.53Å | 1.55Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H4A | sing | 1.09Å | 1.10Å | |
C6 | C5 | sing | 1.51Å | 1.54Å | |
C5 | C7 | sing | 1.53Å | 1.53Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
O62 | C6 | doub | 1.21Å | 1.25Å | |
O61 | C6 | sing | 1.34Å | 1.23Å | |
C7 | C8 | sing | 1.51Å | 1.53Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H7A | sing | 1.09Å | 1.10Å | |
O81 | C8 | doub | 1.21Å | 1.25Å | |
C8 | O82 | sing | 1.34Å | 1.24Å | |
CD1 | CG | doub | 1.38Å | 1.39Å | Aromatic |
CG | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
CZ | OH | sing | 1.36Å | 1.39Å | |
OH | HOH | sing | 0.97Å | 0.95Å | |
CE1 | CZ | doub | 1.39Å | 1.38Å | Aromatic |
CZ | CE2 | sing | 1.39Å | 1.38Å | Aromatic |
O31 | HO31 | sing | 0.97Å | 0.95Å | |
O61 | HO61 | sing | 0.97Å | 0.95Å | |
O82 | HO82 | sing | 0.97Å | 0.95Å | |
CD1 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
CD1 | HD1 | sing | 1.08Å | 1.08Å | |
CD2 | CE2 | doub | 1.38Å | 1.39Å | Aromatic |
CD2 | HD2 | sing | 1.08Å | 1.08Å | |
CE1 | HE1 | sing | 1.08Å | 1.08Å | |
CE2 | HE2 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CG | C1 | C2 | 117.0° | 109.5° |
CG | C1 | H1 | 107.0° | 109.4° |
CG | C1 | H1A | 107.1° | 109.5° |
C1 | CG | CD1 | 118.6° | 119.9° |
C1 | CG | CD2 | 122.9° | 119.9° |
C2 | C1 | H1 | 107.1° | 109.5° |
C2 | C1 | H1A | 107.1° | 109.5° |
C1 | C2 | N1 | 111.9° | 109.5° |
C1 | C2 | P3 | 111.3° | 109.5° |
C1 | C2 | H2 | 105.0° | 109.5° |
H1 | C1 | H1A | 111.8° | 109.5° |
C2 | N1 | HN1 | 109.5° | 111.0° |
C2 | N1 | HN1A | 109.5° | 111.0° |
N1 | C2 | P3 | 104.0° | 109.4° |
N1 | C2 | H2 | 112.1° | 109.4° |
HN1 | N1 | HN1A | 109.5° | 111.0° |
P3 | C2 | H2 | 112.7° | 109.5° |
C2 | P3 | O32 | 109.9° | 109.5° |
C2 | P3 | O31 | 106.3° | 109.4° |
C2 | P3 | C4 | 109.4° | 109.5° |
O32 | P3 | O31 | 110.5° | 109.5° |
O32 | P3 | C4 | 109.9° | 109.5° |
O31 | P3 | C4 | 110.8° | 109.5° |
P3 | O31 | HO31 | 109.5° | 114.0° |
P3 | C4 | C5 | 115.7° | 109.4° |
P3 | C4 | H4 | 107.5° | 109.5° |
P3 | C4 | H4A | 107.4° | 109.4° |
C5 | C4 | H4 | 107.4° | 109.5° |
C5 | C4 | H4A | 107.4° | 109.5° |
C4 | C5 | C6 | 113.5° | 109.5° |
C4 | C5 | C7 | 107.6° | 109.4° |
C4 | C5 | H5 | 110.0° | 109.4° |
H4 | C4 | H4A | 111.4° | 109.5° |
C6 | C5 | C7 | 114.7° | 109.5° |
C6 | C5 | H5 | 102.2° | 109.5° |
C5 | C6 | O62 | 118.7° | 120.0° |
C5 | C6 | O61 | 117.4° | 120.0° |
C7 | C5 | H5 | 108.6° | 109.5° |
C5 | C7 | C8 | 114.8° | 109.4° |
C5 | C7 | H7 | 107.7° | 109.5° |
C5 | C7 | H7A | 107.7° | 109.5° |
O62 | C6 | O61 | 123.9° | 120.0° |
C6 | O61 | HO61 | 109.5° | 117.0° |
C8 | C7 | H7 | 107.8° | 109.4° |
C8 | C7 | H7A | 107.8° | 109.4° |
C7 | C8 | O81 | 116.5° | 120.0° |
C7 | C8 | O82 | 117.4° | 120.0° |
H7 | C7 | H7A | 111.1° | 109.5° |
O81 | C8 | O82 | 126.1° | 120.1° |
C8 | O82 | HO82 | 109.5° | 116.9° |
CD1 | CG | CD2 | 118.5° | 120.1° |
CG | CD1 | CE1 | 121.2° | 120.0° |
CG | CD1 | HD1 | 119.4° | 120.0° |
CG | CD2 | CE2 | 120.4° | 120.1° |
CG | CD2 | HD2 | 119.8° | 120.0° |
CZ | OH | HOH | 109.5° | 114.0° |
OH | CZ | CE1 | 119.9° | 120.0° |
OH | CZ | CE2 | 119.5° | 120.1° |
CE1 | CZ | CE2 | 120.5° | 119.9° |
CZ | CE1 | CD1 | 119.3° | 119.9° |
CZ | CE1 | HE1 | 120.3° | 120.1° |
CZ | CE2 | CD2 | 120.0° | 119.9° |
CZ | CE2 | HE2 | 120.0° | 120.0° |
CE1 | CD1 | HD1 | 119.4° | 120.0° |
CD1 | CE1 | HE1 | 120.3° | 120.0° |
CE2 | CD2 | HD2 | 119.8° | 119.9° |
CD2 | CE2 | HE2 | 120.0° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CG | C1 | C2 | H1 | 120.0° | 120.0° |
CG | C1 | C2 | H1A | 120.0° | 120.0° |
CG | C1 | H1 | H1A | 116.9° | 120.0° |
CG | C1 | C2 | N1 | 83.8° | 180.0° |
CG | C1 | C2 | P3 | 160.3° | 60.0° |
CG | C1 | C2 | H2 | 38.0° | 60.0° |
C1 | CG | CD1 | CD2 | 179.5° | 179.6° |
C1 | CG | CD1 | CE1 | 179.3° | 180.0° |
C1 | CG | CD1 | HD1 | 0.8° | 0.1° |
C1 | CG | CD2 | CE2 | 179.2° | 180.0° |
C1 | CG | CD2 | HD2 | 0.8° | 0.1° |
C2 | C1 | H1 | H1A | 116.9° | 120.1° |
C1 | C2 | N1 | P3 | 120.3° | 120.0° |
C1 | C2 | N1 | H2 | 117.6° | 120.0° |
C1 | C2 | N1 | HN1 | 180.0° | 59.9° |
C1 | C2 | N1 | HN1A | 60.0° | 64.0° |
C1 | C2 | P3 | H2 | 117.6° | 120.0° |
C1 | C2 | P3 | O32 | 52.4° | 60.0° |
C1 | C2 | P3 | O31 | 172.0° | 60.0° |
C1 | C2 | P3 | C4 | 68.3° | 180.0° |
C2 | C1 | CG | CD1 | 130.9° | 89.7° |
C2 | C1 | CG | CD2 | 49.7° | 89.9° |
H1 | C1 | C2 | N1 | 156.2° | 60.0° |
H1 | C1 | C2 | P3 | 40.2° | 180.0° |
H1 | C1 | C2 | H2 | 82.0° | 60.0° |
H1 | C1 | CG | CD1 | 109.1° | 150.3° |
H1 | C1 | CG | CD2 | 70.4° | 30.1° |
H1A | C1 | C2 | N1 | 36.2° | 60.0° |
H1A | C1 | C2 | P3 | 79.7° | 60.0° |
H1A | C1 | C2 | H2 | 158.1° | 180.0° |
H1A | C1 | CG | CD1 | 10.9° | 30.3° |
H1A | C1 | CG | CD2 | 169.7° | 150.1° |
C2 | N1 | HN1 | HN1A | 120.0° | 123.9° |
N1 | C2 | P3 | H2 | 121.7° | 119.9° |
N1 | C2 | P3 | O32 | 68.3° | 180.0° |
N1 | C2 | P3 | O31 | 51.4° | 60.0° |
N1 | C2 | P3 | C4 | 171.0° | 60.0° |
HN1 | N1 | C2 | P3 | 59.7° | 60.1° |
HN1 | N1 | C2 | H2 | 62.4° | 180.0° |
HN1A | N1 | C2 | P3 | 60.3° | 176.0° |
HN1A | N1 | C2 | H2 | 177.7° | 56.1° |
C2 | P3 | O32 | O31 | 117.0° | 120.0° |
C2 | P3 | O32 | C4 | 120.4° | 120.0° |
C2 | P3 | O31 | C4 | 118.7° | 120.0° |
C2 | P3 | C4 | C5 | 124.2° | 175.0° |
C2 | P3 | C4 | H4 | 115.8° | 65.0° |
C2 | P3 | C4 | H4A | 4.2° | 55.0° |
C2 | P3 | O31 | HO31 | 119.2° | 60.1° |
H2 | C2 | P3 | O32 | 170.0° | 60.0° |
H2 | C2 | P3 | O31 | 70.3° | 180.0° |
H2 | C2 | P3 | C4 | 49.3° | 60.0° |
O32 | P3 | O31 | C4 | 122.0° | 120.0° |
O32 | P3 | C4 | C5 | 3.4° | 55.0° |
O32 | P3 | C4 | H4 | 123.4° | 175.0° |
O32 | P3 | C4 | H4A | 116.6° | 65.0° |
O32 | P3 | O31 | HO31 | 0.0° | 180.0° |
O31 | P3 | C4 | C5 | 119.0° | 65.0° |
O31 | P3 | C4 | H4 | 1.0° | 55.0° |
O31 | P3 | C4 | H4A | 121.0° | 175.0° |
P3 | C4 | C5 | H4 | 120.0° | 120.0° |
P3 | C4 | C5 | H4A | 120.0° | 120.0° |
P3 | C4 | H4 | H4A | 117.4° | 120.0° |
P3 | C4 | C5 | C6 | 54.7° | 75.0° |
P3 | C4 | C5 | C7 | 177.3° | 165.0° |
P3 | C4 | C5 | H5 | 59.1° | 45.0° |
C4 | P3 | O31 | HO31 | 122.0° | 59.9° |
C5 | C4 | H4 | H4A | 117.4° | 120.0° |
C4 | C5 | C6 | C7 | 124.3° | 119.9° |
C4 | C5 | C6 | H5 | 118.4° | 120.0° |
C4 | C5 | C7 | H5 | 119.1° | 120.0° |
C4 | C5 | C6 | O62 | 7.8° | 0.0° |
C4 | C5 | C6 | O61 | 172.0° | 180.0° |
C4 | C5 | C7 | C8 | 71.2° | 175.0° |
C4 | C5 | C7 | H7 | 168.8° | 65.0° |
C4 | C5 | C7 | H7A | 48.8° | 55.1° |
H4 | C4 | C5 | C6 | 65.3° | 45.0° |
H4 | C4 | C5 | C7 | 62.7° | 75.0° |
H4 | C4 | C5 | H5 | 179.1° | 165.0° |
H4A | C4 | C5 | C6 | 174.7° | 165.0° |
H4A | C4 | C5 | C7 | 57.3° | 45.1° |
H4A | C4 | C5 | H5 | 60.9° | 75.0° |
C6 | C5 | C7 | H5 | 113.6° | 120.1° |
C5 | C6 | O62 | O61 | 179.7° | 180.0° |
C6 | C5 | C7 | C8 | 161.5° | 65.0° |
C6 | C5 | C7 | H7 | 41.5° | 54.9° |
C6 | C5 | C7 | H7A | 78.5° | 175.0° |
C5 | C6 | O61 | HO61 | 179.7° | 179.9° |
C7 | C5 | C6 | O62 | 116.5° | 120.0° |
C7 | C5 | C6 | O61 | 63.8° | 60.0° |
C5 | C7 | C8 | H7 | 120.0° | 120.0° |
C5 | C7 | C8 | H7A | 120.0° | 120.0° |
C5 | C7 | H7 | H7A | 117.8° | 120.1° |
C5 | C7 | C8 | O81 | 42.2° | 0.1° |
C5 | C7 | C8 | O82 | 136.7° | 180.0° |
H5 | C5 | C6 | O62 | 126.2° | 120.0° |
H5 | C5 | C6 | O61 | 53.6° | 60.1° |
H5 | C5 | C7 | C8 | 47.9° | 55.0° |
H5 | C5 | C7 | H7 | 72.1° | 175.0° |
H5 | C5 | C7 | H7A | 167.9° | 64.9° |
O62 | C6 | O61 | HO61 | 0.0° | 0.1° |
C8 | C7 | H7 | H7A | 117.9° | 119.9° |
C7 | C8 | O81 | O82 | 178.8° | 179.9° |
C7 | C8 | O82 | HO82 | 178.7° | 179.9° |
H7 | C7 | C8 | O81 | 77.8° | 120.0° |
H7 | C7 | C8 | O82 | 103.3° | 60.0° |
H7A | C7 | C8 | O81 | 162.2° | 120.0° |
H7A | C7 | C8 | O82 | 16.7° | 60.0° |
O81 | C8 | O82 | HO82 | 0.0° | 0.0° |
CG | CD1 | CE1 | CZ | 0.3° | 0.0° |
CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
CD1 | CG | CD2 | CE2 | 0.3° | 0.3° |
CD1 | CG | CD2 | HD2 | 179.7° | 179.7° |
CG | CD1 | CE1 | HE1 | 179.7° | 180.0° |
CG | CD2 | CE2 | CZ | 0.4° | 0.0° |
CD2 | CG | CD1 | CE1 | 0.2° | 0.3° |
CD2 | CG | CD1 | HD1 | 179.8° | 179.7° |
CG | CD2 | CE2 | HD2 | 180.0° | 179.9° |
CG | CD2 | CE2 | HE2 | 179.6° | 179.7° |
OH | CZ | CE1 | CE2 | 179.4° | 179.7° |
OH | CZ | CE1 | CD1 | 179.8° | 180.0° |
OH | CZ | CE2 | CD2 | 179.9° | 180.0° |
OH | CZ | CE1 | HE1 | 0.2° | 0.0° |
OH | CZ | CE2 | HE2 | 0.1° | 0.3° |
HOH | OH | CZ | CE1 | 180.0° | 90.3° |
HOH | OH | CZ | CE2 | 0.6° | 90.0° |
CZ | CE1 | CD1 | HE1 | 180.0° | 180.0° |
CZ | CE1 | CD1 | HD1 | 179.7° | 180.0° |
CE1 | CZ | CE2 | CD2 | 0.5° | 0.3° |
CE1 | CZ | CE2 | HE2 | 179.5° | 180.0° |
CE2 | CZ | CE1 | CD1 | 0.4° | 0.3° |
CZ | CE2 | CD2 | HE2 | 180.0° | 179.7° |
CZ | CE2 | CD2 | HD2 | 179.6° | 179.9° |
CE2 | CZ | CE1 | HE1 | 179.6° | 179.7° |
HD1 | CD1 | CE1 | HE1 | 0.3° | 0.0° |
HD2 | CD2 | CE2 | HE2 | 0.4° | 0.3° |