6DD
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CG | CB | sing | 1.53Å | 1.52Å | |
CG | CD | sing | 1.51Å | 1.53Å | |
CB | CA | sing | 1.53Å | 1.53Å | |
O | C | doub | 1.22Å | 1.21Å | |
CD | OE2 | doub | 1.21Å | 1.27Å | |
CD | OE1 | sing | 1.34Å | 1.26Å | |
C | C11 | sing | 1.48Å | 1.54Å | |
C | N | sing | 1.35Å | 1.44Å | |
C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
C16 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
O4 | C4 | sing | 1.35Å | 1.41Å | |
N3 | C4 | sing | 1.32Å | 1.35Å | Aromatic |
N3 | C2 | doub | 1.33Å | 1.33Å | Aromatic |
CA | N | sing | 1.46Å | 1.44Å | |
CA | CT | sing | 1.51Å | 1.50Å | |
NA2 | C2 | sing | 1.38Å | 1.43Å | |
C15 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
C11 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
O2 | CT | doub | 1.21Å | 1.26Å | |
C4 | C4A | doub | 1.41Å | 1.44Å | Aromatic |
C2 | N1 | sing | 1.32Å | 1.32Å | Aromatic |
OA1 | CA1 | doub | 1.21Å | 1.21Å | |
CT | O1 | sing | 1.34Å | 1.26Å | |
C4A | C5 | sing | 1.40Å | 1.41Å | Aromatic |
C4A | C8A | sing | 1.42Å | 1.40Å | Aromatic |
N1 | C8A | doub | 1.34Å | 1.37Å | Aromatic |
C14 | N10 | sing | 1.39Å | 1.45Å | |
C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
CA1 | N10 | sing | 1.35Å | 1.43Å | |
C5 | C6 | doub | 1.36Å | 1.41Å | Aromatic |
C8A | C8 | sing | 1.40Å | 1.41Å | Aromatic |
N10 | C9 | sing | 1.46Å | 1.46Å | |
C6 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
C6 | C9 | sing | 1.51Å | 1.53Å | |
C8 | C7 | doub | 1.36Å | 1.40Å | Aromatic |
C5 | H1 | sing | 1.08Å | 1.08Å | |
NA2 | H3 | sing | 0.97Å | 1.00Å | |
NA2 | H4 | sing | 0.97Å | 1.00Å | |
C8 | H5 | sing | 1.08Å | 1.08Å | |
C7 | H6 | sing | 1.08Å | 1.08Å | |
C9 | H7 | sing | 1.09Å | 1.10Å | |
C9 | H8 | sing | 1.09Å | 1.10Å | |
CA1 | H9 | sing | 1.08Å | 1.08Å | |
C15 | H10 | sing | 1.08Å | 1.08Å | |
C16 | H11 | sing | 1.08Å | 1.08Å | |
C13 | H12 | sing | 1.08Å | 1.08Å | |
C12 | H13 | sing | 1.08Å | 1.08Å | |
N | H14 | sing | 0.97Å | 1.00Å | |
CA | H15 | sing | 1.09Å | 1.10Å | |
O1 | H16 | sing | 0.97Å | 0.95Å | |
CB | H17 | sing | 1.09Å | 1.10Å | |
CB | H18 | sing | 1.09Å | 1.10Å | |
CG | H19 | sing | 1.09Å | 1.10Å | |
CG | H20 | sing | 1.09Å | 1.10Å | |
OE1 | H21 | sing | 0.97Å | 0.95Å | |
O4 | H2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CB | CG | CD | 113.3° | 109.4° |
CG | CB | CA | 112.4° | 109.5° |
CG | CB | H17 | 108.7° | 109.5° |
CG | CB | H18 | 108.8° | 109.4° |
CB | CG | H19 | 108.5° | 109.4° |
CB | CG | H20 | 108.5° | 109.5° |
CG | CD | OE2 | 118.4° | 120.0° |
CG | CD | OE1 | 118.5° | 120.0° |
CD | CG | H19 | 108.5° | 109.5° |
CD | CG | H20 | 108.5° | 109.5° |
CB | CA | N | 114.2° | 109.5° |
CB | CA | CT | 109.0° | 109.5° |
CB | CA | H15 | 108.2° | 109.5° |
CA | CB | H17 | 108.8° | 109.5° |
CA | CB | H18 | 108.7° | 109.5° |
O | C | C11 | 118.5° | 120.0° |
O | C | N | 124.5° | 120.0° |
OE2 | CD | OE1 | 123.2° | 120.0° |
CD | OE1 | H21 | 109.5° | 117.0° |
C11 | C | N | 117.0° | 120.0° |
C | C11 | C16 | 120.2° | 120.0° |
C | C11 | C12 | 119.3° | 120.1° |
C | N | CA | 128.4° | 120.0° |
C | N | H14 | 115.8° | 120.0° |
C15 | C16 | C11 | 118.6° | 119.9° |
C16 | C15 | C14 | 121.3° | 120.1° |
C16 | C15 | H10 | 119.3° | 120.0° |
C15 | C16 | H11 | 120.7° | 120.0° |
C16 | C11 | C12 | 120.6° | 119.9° |
C11 | C16 | H11 | 120.7° | 120.0° |
O4 | C4 | N3 | 118.1° | 120.8° |
O4 | C4 | C4A | 121.9° | 120.8° |
C4 | O4 | H2 | 109.5° | 114.0° |
C4 | N3 | C2 | 120.2° | 121.5° |
N3 | C4 | C4A | 120.0° | 118.3° |
N3 | C2 | NA2 | 118.1° | 118.7° |
N3 | C2 | N1 | 122.9° | 122.7° |
N | CA | CT | 107.3° | 109.5° |
CA | N | H14 | 115.8° | 120.0° |
N | CA | H15 | 109.4° | 109.5° |
CA | CT | O2 | 119.2° | 120.0° |
CA | CT | O1 | 118.5° | 120.0° |
CT | CA | H15 | 108.6° | 109.5° |
NA2 | C2 | N1 | 118.9° | 118.6° |
C2 | NA2 | H3 | 109.5° | 120.0° |
C2 | NA2 | H4 | 109.5° | 120.0° |
C15 | C14 | N10 | 120.0° | 119.9° |
C15 | C14 | C13 | 120.0° | 120.2° |
C14 | C15 | H10 | 119.4° | 119.9° |
C11 | C12 | C13 | 120.7° | 120.0° |
C11 | C12 | H13 | 119.7° | 120.0° |
O2 | CT | O1 | 122.3° | 120.0° |
C4 | C4A | C5 | 123.8° | 122.0° |
C4 | C4A | C8A | 116.7° | 118.3° |
C2 | N1 | C8A | 120.6° | 120.4° |
OA1 | CA1 | N10 | 121.3° | 120.0° |
OA1 | CA1 | H9 | 119.4° | 120.0° |
CT | O1 | H16 | 109.5° | 117.0° |
C5 | C4A | C8A | 119.5° | 119.6° |
C4A | C5 | C6 | 120.2° | 119.5° |
C4A | C5 | H1 | 119.9° | 120.2° |
C4A | C8A | N1 | 119.6° | 118.8° |
C4A | C8A | C8 | 120.3° | 119.3° |
N1 | C8A | C8 | 120.1° | 121.9° |
N10 | C14 | C13 | 120.0° | 119.9° |
C14 | N10 | CA1 | 121.8° | 120.0° |
C14 | N10 | C9 | 118.5° | 120.0° |
C14 | C13 | C12 | 118.9° | 120.0° |
C14 | C13 | H12 | 120.6° | 120.0° |
C12 | C13 | H12 | 120.5° | 120.0° |
C13 | C12 | H13 | 119.7° | 120.0° |
CA1 | N10 | C9 | 119.7° | 120.0° |
N10 | CA1 | H9 | 119.3° | 120.0° |
C5 | C6 | C7 | 119.7° | 120.9° |
C5 | C6 | C9 | 121.0° | 119.6° |
C6 | C5 | H1 | 119.9° | 120.2° |
C8A | C8 | C7 | 120.0° | 119.6° |
C8A | C8 | H5 | 120.0° | 120.2° |
N10 | C9 | C6 | 109.3° | 109.5° |
N10 | C9 | H7 | 109.5° | 109.5° |
N10 | C9 | H8 | 109.5° | 109.4° |
C7 | C6 | C9 | 119.3° | 119.6° |
C6 | C7 | C8 | 120.3° | 121.1° |
C6 | C7 | H6 | 119.8° | 119.4° |
C6 | C9 | H7 | 109.5° | 109.5° |
C6 | C9 | H8 | 109.5° | 109.5° |
C7 | C8 | H5 | 120.0° | 120.3° |
C8 | C7 | H6 | 119.8° | 119.5° |
H3 | NA2 | H4 | 109.5° | 120.1° |
H7 | C9 | H8 | 109.5° | 109.4° |
H17 | CB | H18 | 109.5° | 109.5° |
H19 | CG | H20 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CB | CG | CD | H19 | 120.6° | 119.9° |
CB | CG | CD | H20 | 120.6° | 120.0° |
CG | CB | CA | H17 | 120.4° | 120.0° |
CG | CB | CA | H18 | 120.4° | 120.0° |
CB | CG | CD | OE2 | 101.8° | 0.0° |
CB | CG | CD | OE1 | 78.6° | 180.0° |
CG | CB | CA | N | 103.1° | 65.0° |
CG | CB | CA | CT | 136.8° | 175.0° |
CG | CB | CA | H15 | 18.9° | 55.0° |
CG | CB | H17 | H18 | 118.7° | 120.0° |
CB | CG | H19 | H20 | 118.3° | 120.0° |
CD | CG | CB | CA | 22.1° | 180.0° |
CG | CD | OE2 | OE1 | 179.5° | 180.0° |
CD | CG | CB | H17 | 98.4° | 60.0° |
CD | CG | CB | H18 | 142.5° | 60.0° |
CD | CG | H19 | H20 | 118.3° | 120.0° |
CG | CD | OE1 | H21 | 179.5° | 180.0° |
CB | CA | N | C | 35.2° | 155.0° |
CB | CA | N | CT | 121.0° | 120.0° |
CB | CA | N | H15 | 121.3° | 120.0° |
CB | CA | CT | H15 | 117.7° | 120.0° |
CB | CA | CT | O2 | 33.5° | 120.0° |
CB | CA | CT | O1 | 147.1° | 60.0° |
CB | CA | N | H14 | 144.8° | 25.0° |
CA | CB | H17 | H18 | 118.7° | 120.0° |
CA | CB | CG | H19 | 98.5° | 60.0° |
CA | CB | CG | H20 | 142.6° | 60.0° |
O | C | C11 | N | 179.3° | 179.9° |
O | C | C11 | C16 | 2.7° | 0.1° |
O | C | N | CA | 0.4° | 0.0° |
O | C | C11 | C12 | 177.4° | 179.8° |
O | C | N | H14 | 179.6° | 180.0° |
OE2 | CD | CG | H19 | 18.7° | 120.0° |
OE2 | CD | CG | H20 | 137.6° | 120.0° |
OE2 | CD | OE1 | H21 | 0.0° | 0.0° |
OE1 | CD | CG | H19 | 160.8° | 60.0° |
OE1 | CD | CG | H20 | 41.9° | 60.0° |
C | C11 | C16 | C15 | 179.8° | 180.0° |
C | C11 | C16 | C12 | 179.9° | 179.7° |
C11 | C | N | CA | 179.7° | 179.9° |
C | C11 | C12 | C13 | 179.9° | 180.0° |
C | C11 | C16 | H11 | 0.2° | 0.0° |
C | C11 | C12 | H13 | 0.1° | 0.0° |
C11 | C | N | H14 | 0.3° | 0.1° |
N | C | C11 | C16 | 176.6° | 180.0° |
C | N | CA | H14 | 180.0° | 180.0° |
C | N | CA | CT | 156.2° | 85.0° |
N | C | C11 | C12 | 3.3° | 0.3° |
C | N | CA | H15 | 86.1° | 35.0° |
C15 | C16 | C11 | H11 | 180.0° | 180.0° |
C16 | C15 | C14 | H10 | 180.0° | 180.0° |
C15 | C16 | C11 | C12 | 0.1° | 0.3° |
C16 | C15 | C14 | N10 | 179.4° | 180.0° |
C16 | C15 | C14 | C13 | 0.4° | 0.3° |
C11 | C16 | C15 | C14 | 0.3° | 0.0° |
C16 | C11 | C12 | C13 | 0.0° | 0.3° |
C11 | C16 | C15 | H10 | 179.7° | 180.0° |
C16 | C11 | C12 | H13 | 180.0° | 179.7° |
O4 | C4 | N3 | C4A | 179.9° | 180.0° |
O4 | C4 | N3 | C2 | 179.9° | 180.0° |
O4 | C4 | C4A | C5 | 0.5° | 0.0° |
O4 | C4 | C4A | C8A | 179.9° | 179.9° |
C4 | N3 | C2 | NA2 | 179.8° | 180.0° |
C4 | N3 | C2 | N1 | 0.2° | 0.0° |
N3 | C4 | C4A | C5 | 179.4° | 180.0° |
N3 | C4 | C4A | C8A | 0.0° | 0.0° |
N3 | C4 | O4 | H2 | 0.0° | 89.9° |
N3 | C2 | NA2 | N1 | 180.0° | 180.0° |
C2 | N3 | C4 | C4A | 0.0° | 0.0° |
N3 | C2 | N1 | C8A | 0.4° | 0.0° |
N3 | C2 | NA2 | H3 | 0.0° | 0.1° |
N3 | C2 | NA2 | H4 | 120.0° | 180.0° |
N | CA | CT | H15 | 118.1° | 120.0° |
N | CA | CT | O2 | 90.7° | 0.0° |
N | CA | CT | O1 | 88.7° | 180.0° |
N | CA | CB | H17 | 136.4° | 55.0° |
N | CA | CB | H18 | 17.3° | 175.0° |
CA | CT | O2 | O1 | 179.3° | 180.0° |
CT | CA | N | H14 | 23.8° | 95.0° |
CA | CT | O1 | H16 | 179.3° | 180.0° |
CT | CA | CB | H17 | 16.4° | 65.0° |
CT | CA | CB | H18 | 102.7° | 55.0° |
NA2 | C2 | N1 | C8A | 179.6° | 179.9° |
C2 | NA2 | H3 | H4 | 120.0° | 179.9° |
C15 | C14 | N10 | C13 | 179.0° | 179.7° |
C15 | C14 | C13 | C12 | 0.3° | 0.3° |
C15 | C14 | N10 | CA1 | 75.9° | 179.7° |
C15 | C14 | N10 | C9 | 103.1° | 0.3° |
C14 | C15 | C16 | H11 | 179.7° | 180.0° |
C15 | C14 | C13 | H12 | 179.7° | 179.8° |
C11 | C12 | C13 | C14 | 0.1° | 0.0° |
C11 | C12 | C13 | H13 | 180.0° | 180.0° |
C12 | C11 | C16 | H11 | 179.9° | 179.7° |
C11 | C12 | C13 | H12 | 179.9° | 179.9° |
O2 | CT | CA | H15 | 151.2° | 120.0° |
O2 | CT | O1 | H16 | 0.0° | 0.1° |
C4 | C4A | C5 | C8A | 179.4° | 180.0° |
C4 | C4A | C8A | N1 | 0.1° | 0.0° |
C4 | C4A | C5 | C6 | 179.6° | 180.0° |
C4 | C4A | C8A | C8 | 179.5° | 179.9° |
C4 | C4A | C5 | H1 | 0.4° | 0.3° |
C4A | C4 | O4 | H2 | 179.9° | 90.0° |
C2 | N1 | C8A | C4A | 0.3° | 0.0° |
C2 | N1 | C8A | C8 | 179.7° | 179.9° |
N1 | C2 | NA2 | H3 | 180.0° | 179.9° |
N1 | C2 | NA2 | H4 | 60.0° | 0.0° |
OA1 | CA1 | N10 | C14 | 0.4° | 180.0° |
OA1 | CA1 | N10 | H9 | 180.0° | 179.9° |
OA1 | CA1 | N10 | C9 | 178.6° | 0.1° |
O1 | CT | CA | H15 | 29.5° | 60.0° |
C5 | C4A | C8A | N1 | 179.3° | 180.0° |
C4A | C5 | C6 | H1 | 180.0° | 179.7° |
C5 | C4A | C8A | C8 | 0.1° | 0.1° |
C4A | C5 | C6 | C7 | 0.0° | 0.1° |
C4A | C5 | C6 | C9 | 179.4° | 179.7° |
C4A | C8A | N1 | C8 | 179.4° | 180.0° |
C8A | C4A | C5 | C6 | 0.2° | 0.0° |
C4A | C8A | C8 | C7 | 0.2° | 0.1° |
C8A | C4A | C5 | H1 | 179.8° | 179.7° |
C4A | C8A | C8 | H5 | 179.8° | 179.9° |
N1 | C8A | C8 | C7 | 179.5° | 180.0° |
N1 | C8A | C8 | H5 | 0.5° | 0.0° |
N10 | C14 | C13 | C12 | 179.3° | 180.0° |
C14 | N10 | CA1 | C9 | 179.0° | 180.0° |
C14 | N10 | C9 | C6 | 60.9° | 90.0° |
C14 | N10 | C9 | H7 | 59.0° | 150.0° |
C14 | N10 | C9 | H8 | 179.1° | 30.0° |
C14 | N10 | CA1 | H9 | 179.6° | 0.0° |
N10 | C14 | C15 | H10 | 0.6° | 0.1° |
N10 | C14 | C13 | H12 | 0.7° | 0.1° |
C14 | C13 | C12 | H12 | 180.0° | 179.9° |
C13 | C14 | N10 | CA1 | 105.1° | 0.0° |
C13 | C14 | N10 | C9 | 75.9° | 179.9° |
C13 | C14 | C15 | H10 | 179.6° | 179.7° |
C14 | C13 | C12 | H13 | 179.9° | 180.0° |
CA1 | N10 | C9 | C6 | 118.1° | 90.0° |
CA1 | N10 | C9 | H7 | 121.9° | 30.1° |
CA1 | N10 | C9 | H8 | 1.9° | 150.0° |
C5 | C6 | C9 | N10 | 67.0° | 90.0° |
C5 | C6 | C7 | C9 | 179.4° | 179.8° |
C5 | C6 | C7 | C8 | 0.2° | 0.1° |
C5 | C6 | C7 | H6 | 179.8° | 179.9° |
C5 | C6 | C9 | H7 | 173.0° | 150.0° |
C5 | C6 | C9 | H8 | 53.0° | 30.0° |
C8A | C8 | C7 | C6 | 0.3° | 0.0° |
C8A | C8 | C7 | H5 | 180.0° | 180.0° |
C8A | C8 | C7 | H6 | 179.7° | 180.0° |
N10 | C9 | C6 | C7 | 112.4° | 90.2° |
N10 | C9 | C6 | H7 | 120.0° | 120.1° |
N10 | C9 | C6 | H8 | 120.0° | 120.0° |
N10 | C9 | H7 | H8 | 120.1° | 120.0° |
C9 | N10 | CA1 | H9 | 1.4° | 180.0° |
C6 | C7 | C8 | H6 | 180.0° | 179.9° |
C7 | C6 | C5 | H1 | 179.9° | 179.8° |
C6 | C7 | C8 | H5 | 179.7° | 180.0° |
C7 | C6 | C9 | H7 | 7.6° | 29.9° |
C7 | C6 | C9 | H8 | 127.6° | 149.8° |
C9 | C6 | C7 | C8 | 179.7° | 179.7° |
C9 | C6 | C5 | H1 | 0.6° | 0.0° |
C9 | C6 | C7 | H6 | 0.4° | 0.2° |
C6 | C9 | H7 | H8 | 120.1° | 120.0° |
H5 | C8 | C7 | H6 | 0.3° | 0.0° |
H10 | C15 | C16 | H11 | 0.3° | 0.0° |
H12 | C13 | C12 | H13 | 0.1° | 0.1° |
H14 | N | CA | H15 | 93.9° | 145.0° |
H15 | CA | CB | H17 | 101.6° | 175.0° |
H15 | CA | CB | H18 | 139.3° | 65.0° |
H17 | CB | CG | H19 | 141.1° | 179.9° |
H17 | CB | CG | H20 | 22.2° | 60.0° |
H18 | CB | CG | H19 | 22.0° | 60.0° |
H18 | CB | CG | H20 | 96.9° | 180.0° |