2JD
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3 | C16 | doub | 1.21Å | 1.23Å | |
C16 | C17 | sing | 1.51Å | 1.50Å | |
O4 | C17 | sing | 1.43Å | 1.43Å | |
C17 | C18 | sing | 1.53Å | 1.50Å | |
O3P | P | sing | 1.61Å | 1.61Å | |
O2P | C19 | sing | 1.43Å | 1.42Å | |
O2P | P | sing | 1.61Å | 1.61Å | |
C20 | C18 | sing | 1.53Å | 1.50Å | |
C18 | C19 | sing | 1.53Å | 1.50Å | |
C18 | C21 | sing | 1.53Å | 1.50Å | |
P | O1P | doub | 1.48Å | 1.61Å | |
C17 | H15 | sing | 1.09Å | 1.10Å | |
O4 | H16 | sing | 0.97Å | 0.95Å | |
C19 | H17 | sing | 1.09Å | 1.10Å | |
C19 | H18 | sing | 1.09Å | 1.10Å | |
C20 | H19 | sing | 1.09Å | 1.10Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C20 | H21 | sing | 1.09Å | 1.10Å | |
C21 | H22 | sing | 1.09Å | 1.10Å | |
C21 | H23 | sing | 1.09Å | 1.10Å | |
C21 | H24 | sing | 1.09Å | 1.10Å | |
P | OXT | sing | 1.61Å | 196.75Å | |
OXT | H27 | sing | 0.97Å | 0.00Å | |
O3P | H4 | sing | 0.97Å | 0.95Å | |
C16 | O1 | sing | 1.34Å | 1.45Å | |
O1 | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3 | C16 | C17 | 121.1° | 119.9° |
O3 | C16 | O1 | 121.3° | 120.0° |
C16 | C17 | O4 | 102.6° | 109.5° |
C16 | C17 | C18 | 122.2° | 109.4° |
C16 | C17 | H15 | 103.6° | 109.5° |
C17 | C16 | O1 | 117.6° | 120.0° |
O4 | C17 | C18 | 118.3° | 109.5° |
O4 | C17 | H15 | 104.3° | 109.5° |
C17 | O4 | H16 | 109.5° | 114.0° |
C17 | C18 | C20 | 109.9° | 109.5° |
C17 | C18 | C19 | 111.3° | 109.5° |
C17 | C18 | C21 | 109.6° | 109.5° |
C18 | C17 | H15 | 103.6° | 109.5° |
O3P | P | O2P | 109.9° | 109.5° |
O3P | P | O1P | 109.1° | 109.5° |
O3P | P | OXT | 33.9° | 109.5° |
P | O3P | H4 | 109.5° | 114.0° |
C19 | O2P | P | 128.4° | 123.0° |
O2P | C19 | C18 | 113.6° | 109.5° |
O2P | C19 | H17 | 108.4° | 109.5° |
O2P | C19 | H18 | 108.4° | 109.4° |
O2P | P | O1P | 108.9° | 109.5° |
O2P | P | OXT | 79.6° | 109.4° |
C20 | C18 | C19 | 107.8° | 109.5° |
C20 | C18 | C21 | 109.6° | 109.5° |
C18 | C20 | H19 | 109.5° | 109.5° |
C18 | C20 | H20 | 109.4° | 109.4° |
C18 | C20 | H21 | 109.5° | 109.4° |
C19 | C18 | C21 | 108.7° | 109.4° |
C18 | C19 | H17 | 108.4° | 109.5° |
C18 | C19 | H18 | 108.4° | 109.4° |
C18 | C21 | H22 | 109.5° | 109.5° |
C18 | C21 | H23 | 109.5° | 109.5° |
C18 | C21 | H24 | 109.5° | 109.4° |
O1P | P | OXT | 106.5° | 109.5° |
H17 | C19 | H18 | 109.5° | 109.5° |
H19 | C20 | H20 | 109.5° | 109.5° |
H19 | C20 | H21 | 109.5° | 109.5° |
H20 | C20 | H21 | 109.5° | 109.5° |
H22 | C21 | H23 | 109.5° | 109.5° |
H22 | C21 | H24 | 109.4° | 109.5° |
H23 | C21 | H24 | 109.5° | 109.4° |
P | OXT | H27 | 90.0° | 114.0° |
C16 | O1 | HXT | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3 | C16 | C17 | O1 | 179.7° | 179.7° |
O3 | C16 | C17 | O4 | 155.2° | 4.7° |
O3 | C16 | C17 | C18 | 69.2° | 115.3° |
O3 | C16 | C17 | H15 | 46.9° | 124.7° |
O3 | C16 | O1 | HXT | 0.0° | 0.2° |
C16 | C17 | O4 | C18 | 137.7° | 120.0° |
C16 | C17 | O4 | H15 | 107.8° | 120.0° |
C16 | C17 | C18 | H15 | 116.1° | 120.0° |
C16 | C17 | C18 | C20 | 57.9° | 60.0° |
C16 | C17 | C18 | C19 | 61.4° | 180.0° |
C16 | C17 | C18 | C21 | 178.4° | 60.0° |
C16 | C17 | O4 | H16 | 180.0° | 60.0° |
C17 | C16 | O1 | HXT | 179.6° | 179.9° |
O4 | C17 | C18 | H15 | 114.8° | 120.0° |
O4 | C17 | C18 | C20 | 71.2° | 180.0° |
O4 | C17 | C18 | C19 | 169.5° | 60.0° |
O4 | C17 | C18 | C21 | 49.3° | 60.0° |
O4 | C17 | C16 | O1 | 25.1° | 175.0° |
C17 | C18 | C19 | O2P | 44.5° | 180.0° |
C17 | C18 | C20 | C19 | 121.4° | 120.0° |
C17 | C18 | C20 | C21 | 120.5° | 120.0° |
C17 | C18 | C19 | C21 | 120.7° | 120.0° |
C18 | C17 | O4 | H16 | 42.3° | 59.9° |
C17 | C18 | C19 | H17 | 165.1° | 60.0° |
C17 | C18 | C19 | H18 | 76.1° | 60.0° |
C17 | C18 | C20 | H19 | 180.0° | 60.0° |
C17 | C18 | C20 | H20 | 60.0° | 180.0° |
C17 | C18 | C20 | H21 | 60.0° | 60.0° |
C17 | C18 | C21 | H22 | 180.0° | 59.9° |
C17 | C18 | C21 | H23 | 60.0° | 180.0° |
C17 | C18 | C21 | H24 | 60.0° | 60.0° |
C18 | C17 | C16 | O1 | 110.5° | 65.0° |
O3P | P | O2P | C19 | 91.9° | 175.0° |
O3P | P | O2P | O1P | 119.4° | 120.0° |
O3P | P | O2P | OXT | 15.4° | 120.0° |
O3P | P | O1P | OXT | 35.5° | 120.0° |
O3P | P | OXT | H27 | 90.0° | 60.0° |
O2P | C19 | C18 | C20 | 165.1° | 60.0° |
O2P | C19 | C18 | H17 | 120.6° | 120.0° |
O2P | C19 | C18 | H18 | 120.6° | 120.0° |
O2P | C19 | C18 | C21 | 76.2° | 60.0° |
C19 | O2P | P | O1P | 148.7° | 55.0° |
O2P | C19 | H17 | H18 | 118.1° | 120.0° |
C19 | O2P | P | OXT | 107.2° | 65.0° |
P | O2P | C19 | C18 | 160.4° | 180.0° |
O2P | P | O1P | OXT | 84.4° | 120.0° |
P | O2P | C19 | H17 | 39.7° | 60.0° |
P | O2P | C19 | H18 | 79.0° | 60.0° |
O2P | P | OXT | H27 | 90.0° | 60.0° |
O2P | P | O3P | H4 | 119.3° | 180.0° |
C20 | C18 | C19 | C21 | 118.7° | 120.0° |
C20 | C18 | C17 | H15 | 174.0° | 60.0° |
C20 | C18 | C19 | H17 | 74.3° | 180.0° |
C20 | C18 | C19 | H18 | 44.5° | 60.0° |
C18 | C20 | H19 | H20 | 120.0° | 120.0° |
C18 | C20 | H19 | H21 | 120.0° | 120.0° |
C18 | C20 | H20 | H21 | 120.0° | 120.0° |
C20 | C18 | C21 | H22 | 59.3° | 180.0° |
C20 | C18 | C21 | H23 | 60.7° | 59.9° |
C20 | C18 | C21 | H24 | 179.3° | 60.0° |
C19 | C18 | C17 | H15 | 54.7° | 60.0° |
C18 | C19 | H17 | H18 | 118.1° | 120.0° |
C19 | C18 | C20 | H19 | 58.6° | 180.0° |
C19 | C18 | C20 | H20 | 61.4° | 60.0° |
C19 | C18 | C20 | H21 | 178.6° | 60.0° |
C19 | C18 | C21 | H22 | 58.2° | 60.1° |
C19 | C18 | C21 | H23 | 178.3° | 60.0° |
C19 | C18 | C21 | H24 | 61.8° | 180.0° |
C21 | C18 | C17 | H15 | 65.5° | 180.0° |
C21 | C18 | C19 | H17 | 44.4° | 60.0° |
C21 | C18 | C19 | H18 | 163.2° | 180.0° |
C21 | C18 | C20 | H19 | 59.5° | 60.0° |
C21 | C18 | C20 | H20 | 179.5° | 60.0° |
C21 | C18 | C20 | H21 | 60.5° | 180.0° |
C18 | C21 | H22 | H23 | 120.0° | 120.1° |
C18 | C21 | H22 | H24 | 120.0° | 119.9° |
C18 | C21 | H23 | H24 | 120.0° | 119.9° |
O1P | P | OXT | H27 | 90.0° | 180.0° |
O1P | P | O3P | H4 | 0.0° | 60.0° |
H15 | C17 | O4 | H16 | 72.2° | 180.0° |
H15 | C17 | C16 | O1 | 133.5° | 55.0° |
H19 | C20 | H20 | H21 | 120.0° | 120.1° |
H22 | C21 | H23 | H24 | 120.0° | 120.0° |
OXT | P | O3P | H4 | 91.4° | 60.0° |