0FG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.47Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CA | CB | sing | 1.53Å | 1.52Å | |
CA | C | sing | 1.51Å | 1.53Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | CG | sing | 1.53Å | 1.48Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
CG | CD1 | sing | 1.53Å | 1.52Å | |
CG | CD2 | sing | 1.53Å | 1.53Å | |
CG | HG | sing | 1.09Å | 1.10Å | |
CD1 | HD11 | sing | 1.09Å | 1.10Å | |
CD1 | HD12 | sing | 1.09Å | 1.10Å | |
CD1 | HD13 | sing | 1.09Å | 1.10Å | |
CD2 | HD21 | sing | 1.09Å | 1.10Å | |
CD2 | HD22 | sing | 1.09Å | 1.10Å | |
CD2 | HD23 | sing | 1.09Å | 1.10Å | |
C | O | doub | 1.21Å | 1.23Å | |
C | N1 | sing | 1.35Å | 1.33Å | |
N1 | CA1 | sing | 1.46Å | 1.47Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
CA1 | C1 | sing | 1.51Å | 1.53Å | |
CA1 | CB1 | sing | 1.53Å | 1.53Å | |
CA1 | HA1 | sing | 1.09Å | 1.10Å | |
C1 | O1 | doub | 1.21Å | 1.21Å | |
C1 | N2 | sing | 1.35Å | 1.33Å | |
CB1 | CG1 | sing | 1.51Å | 1.50Å | |
CB1 | HB21 | sing | 1.09Å | 1.10Å | |
CB1 | HB31 | sing | 1.09Å | 1.10Å | |
CG1 | CD11 | doub | 1.38Å | 1.39Å | Aromatic |
CG1 | CD21 | sing | 1.38Å | 1.38Å | Aromatic |
CD11 | CE1 | sing | 1.38Å | 1.38Å | Aromatic |
CD11 | HD1 | sing | 1.08Å | 1.08Å | |
CD21 | CE2 | doub | 1.38Å | 1.39Å | Aromatic |
CD21 | HD2 | sing | 1.08Å | 1.08Å | |
CE1 | CZ | doub | 1.38Å | 1.40Å | Aromatic |
CE1 | HE1 | sing | 1.08Å | 1.08Å | |
CE2 | CZ | sing | 1.38Å | 1.40Å | Aromatic |
CE2 | HE2 | sing | 1.08Å | 1.08Å | |
CZ | HZ | sing | 1.08Å | 1.08Å | |
C11 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
C11 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
C11 | C7 | sing | 1.51Å | 1.53Å | |
C2 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
C2 | H21 | sing | 1.08Å | 1.08Å | |
C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
C4 | F | sing | 1.35Å | 1.34Å | |
C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C7 | N2 | sing | 1.47Å | 1.46Å | |
C7 | H11 | sing | 1.09Å | 1.10Å | |
C7 | H2A | sing | 1.09Å | 1.10Å | |
N2 | HN2 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | H | 109.5° | 110.9° |
CA | N | H2 | 109.5° | 111.0° |
N | CA | CB | 110.3° | 109.5° |
N | CA | C | 111.2° | 109.4° |
N | CA | HA | 108.0° | 109.5° |
H | N | H2 | 109.5° | 111.0° |
CB | CA | C | 110.4° | 109.5° |
CB | CA | HA | 108.9° | 109.6° |
CA | CB | CG | 115.0° | 109.5° |
CA | CB | HB2 | 107.6° | 109.5° |
CA | CB | HB3 | 107.6° | 109.5° |
C | CA | HA | 107.9° | 109.5° |
CA | C | O | 120.7° | 120.0° |
CA | C | N1 | 116.2° | 120.0° |
CG | CB | HB2 | 107.6° | 109.5° |
CG | CB | HB3 | 107.7° | 109.5° |
CB | CG | CD1 | 103.2° | 109.4° |
CB | CG | CD2 | 108.8° | 109.5° |
CB | CG | HG | 114.0° | 109.5° |
HB2 | CB | HB3 | 111.3° | 109.5° |
CD1 | CG | CD2 | 110.0° | 109.5° |
CD1 | CG | HG | 112.9° | 109.5° |
CG | CD1 | HD11 | 109.5° | 109.4° |
CG | CD1 | HD12 | 109.4° | 109.5° |
CG | CD1 | HD13 | 109.5° | 109.5° |
CD2 | CG | HG | 107.8° | 109.5° |
CG | CD2 | HD21 | 109.5° | 109.5° |
CG | CD2 | HD22 | 109.4° | 109.5° |
CG | CD2 | HD23 | 109.5° | 109.5° |
HD11 | CD1 | HD12 | 109.5° | 109.4° |
HD11 | CD1 | HD13 | 109.4° | 109.5° |
HD12 | CD1 | HD13 | 109.5° | 109.5° |
HD21 | CD2 | HD22 | 109.5° | 109.5° |
HD21 | CD2 | HD23 | 109.5° | 109.4° |
HD22 | CD2 | HD23 | 109.5° | 109.5° |
O | C | N1 | 122.9° | 120.0° |
C | N1 | CA1 | 121.3° | 120.0° |
C | N1 | H1 | 119.3° | 120.0° |
CA1 | N1 | H1 | 119.4° | 120.0° |
N1 | CA1 | C1 | 113.9° | 109.5° |
N1 | CA1 | CB1 | 111.3° | 109.4° |
N1 | CA1 | HA1 | 105.4° | 109.5° |
C1 | CA1 | CB1 | 110.7° | 109.4° |
C1 | CA1 | HA1 | 106.1° | 109.5° |
CA1 | C1 | O1 | 120.6° | 120.0° |
CA1 | C1 | N2 | 116.1° | 119.9° |
CB1 | CA1 | HA1 | 109.1° | 109.4° |
CA1 | CB1 | CG1 | 112.5° | 109.4° |
CA1 | CB1 | HB21 | 108.4° | 109.5° |
CA1 | CB1 | HB31 | 108.5° | 109.5° |
O1 | C1 | N2 | 123.2° | 120.0° |
C1 | N2 | C7 | 124.3° | 119.9° |
C1 | N2 | HN2 | 117.8° | 120.1° |
CG1 | CB1 | HB21 | 108.5° | 109.5° |
CG1 | CB1 | HB31 | 108.5° | 109.5° |
CB1 | CG1 | CD11 | 119.9° | 120.0° |
CB1 | CG1 | CD21 | 121.1° | 120.0° |
HB21 | CB1 | HB31 | 110.5° | 109.5° |
CD11 | CG1 | CD21 | 119.0° | 120.0° |
CG1 | CD11 | CE1 | 120.8° | 120.0° |
CG1 | CD11 | HD1 | 119.6° | 120.0° |
CG1 | CD21 | CE2 | 120.8° | 120.0° |
CG1 | CD21 | HD2 | 119.6° | 120.0° |
CE1 | CD11 | HD1 | 119.6° | 120.0° |
CD11 | CE1 | CZ | 120.9° | 120.0° |
CD11 | CE1 | HE1 | 119.5° | 120.0° |
CE2 | CD21 | HD2 | 119.6° | 120.0° |
CD21 | CE2 | CZ | 120.4° | 120.0° |
CD21 | CE2 | HE2 | 119.8° | 120.0° |
CZ | CE1 | HE1 | 119.5° | 120.0° |
CE1 | CZ | CE2 | 118.0° | 120.0° |
CE1 | CZ | HZ | 121.0° | 120.0° |
CZ | CE2 | HE2 | 119.8° | 120.0° |
CE2 | CZ | HZ | 121.0° | 120.0° |
C2 | C11 | C6 | 118.3° | 120.0° |
C2 | C11 | C7 | 120.6° | 120.0° |
C11 | C2 | C3 | 121.2° | 120.0° |
C11 | C2 | H21 | 119.4° | 120.0° |
C6 | C11 | C7 | 121.1° | 120.0° |
C11 | C6 | C5 | 120.4° | 120.0° |
C11 | C6 | H6 | 119.8° | 120.0° |
C11 | C7 | N2 | 105.6° | 109.4° |
C11 | C7 | H11 | 110.8° | 109.4° |
C11 | C7 | H2A | 110.8° | 109.5° |
C3 | C2 | H21 | 119.4° | 120.0° |
C2 | C3 | C4 | 119.9° | 120.0° |
C2 | C3 | H3 | 120.1° | 120.0° |
C4 | C3 | H3 | 120.1° | 120.1° |
C3 | C4 | C5 | 121.1° | 120.0° |
C3 | C4 | F | 118.1° | 120.0° |
C5 | C4 | F | 120.8° | 120.0° |
C4 | C5 | C6 | 119.1° | 119.9° |
C4 | C5 | H5 | 120.5° | 120.1° |
C6 | C5 | H5 | 120.4° | 120.0° |
C5 | C6 | H6 | 119.8° | 119.9° |
N2 | C7 | H11 | 110.8° | 109.5° |
N2 | C7 | H2A | 110.8° | 109.5° |
C7 | N2 | HN2 | 117.8° | 120.0° |
H11 | C7 | H2A | 108.1° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | H | H2 | 120.0° | 123.9° |
N | CA | CB | C | 123.3° | 119.9° |
N | CA | CB | HA | 118.4° | 120.0° |
N | CA | C | HA | 118.3° | 119.9° |
N | CA | CB | CG | 175.4° | 65.0° |
N | CA | CB | HB2 | 64.6° | 175.0° |
N | CA | CB | HB3 | 55.4° | 55.0° |
N | CA | C | O | 35.7° | 20.0° |
N | CA | C | N1 | 148.9° | 160.0° |
H | N | CA | CB | 180.0° | 64.0° |
H | N | CA | C | 57.1° | 176.0° |
H | N | CA | HA | 61.1° | 56.1° |
H2 | N | CA | CB | 60.0° | 59.9° |
H2 | N | CA | C | 177.2° | 60.1° |
H2 | N | CA | HA | 58.9° | 180.0° |
CB | CA | C | HA | 118.9° | 120.1° |
CA | CB | CG | HB2 | 120.0° | 120.0° |
CA | CB | CG | HB3 | 120.0° | 120.0° |
CA | CB | HB2 | HB3 | 117.7° | 120.0° |
CA | CB | CG | CD1 | 172.2° | 65.0° |
CA | CB | CG | CD2 | 55.4° | 175.0° |
CA | CB | CG | HG | 64.9° | 55.0° |
CB | CA | C | O | 87.1° | 100.0° |
CB | CA | C | N1 | 88.2° | 80.1° |
C | CA | CB | CG | 61.3° | 175.0° |
C | CA | CB | HB2 | 58.7° | 55.0° |
C | CA | CB | HB3 | 178.7° | 65.0° |
CA | C | O | N1 | 175.1° | 180.0° |
CA | C | N1 | CA1 | 179.5° | 180.0° |
CA | C | N1 | H1 | 0.5° | 0.1° |
HA | CA | CB | CG | 57.0° | 55.0° |
HA | CA | CB | HB2 | 177.0° | 65.0° |
HA | CA | CB | HB3 | 63.0° | 175.0° |
HA | CA | C | O | 154.0° | 139.9° |
HA | CA | C | N1 | 30.7° | 40.0° |
CG | CB | HB2 | HB3 | 117.7° | 120.0° |
CB | CG | CD1 | CD2 | 116.0° | 120.0° |
CB | CG | CD1 | HG | 123.6° | 120.0° |
CB | CG | CD2 | HG | 124.1° | 120.0° |
CB | CG | CD1 | HD11 | 180.0° | 180.0° |
CB | CG | CD1 | HD12 | 60.0° | 60.1° |
CB | CG | CD1 | HD13 | 60.0° | 60.0° |
CB | CG | CD2 | HD21 | 180.0° | 60.0° |
CB | CG | CD2 | HD22 | 60.0° | 180.0° |
CB | CG | CD2 | HD23 | 60.0° | 60.0° |
HB2 | CB | CG | CD1 | 67.8° | 55.0° |
HB2 | CB | CG | CD2 | 175.4° | 65.0° |
HB2 | CB | CG | HG | 55.1° | 175.0° |
HB3 | CB | CG | CD1 | 52.2° | 175.0° |
HB3 | CB | CG | CD2 | 64.6° | 55.0° |
HB3 | CB | CG | HG | 175.1° | 65.0° |
CD1 | CG | CD2 | HG | 123.5° | 120.0° |
CG | CD1 | HD11 | HD12 | 120.0° | 120.0° |
CG | CD1 | HD11 | HD13 | 120.0° | 120.0° |
CG | CD1 | HD12 | HD13 | 120.0° | 120.1° |
CD1 | CG | CD2 | HD21 | 67.6° | 179.9° |
CD1 | CG | CD2 | HD22 | 52.4° | 60.0° |
CD1 | CG | CD2 | HD23 | 172.4° | 60.0° |
CD2 | CG | CD1 | HD11 | 64.0° | 60.0° |
CD2 | CG | CD1 | HD12 | 176.0° | 179.9° |
CD2 | CG | CD1 | HD13 | 56.0° | 60.0° |
CG | CD2 | HD21 | HD22 | 120.0° | 120.1° |
CG | CD2 | HD21 | HD23 | 120.0° | 120.0° |
CG | CD2 | HD22 | HD23 | 120.0° | 120.0° |
HG | CG | CD1 | HD11 | 56.4° | 60.0° |
HG | CG | CD1 | HD12 | 63.6° | 59.9° |
HG | CG | CD1 | HD13 | 176.4° | 180.0° |
HG | CG | CD2 | HD21 | 55.9° | 60.0° |
HG | CG | CD2 | HD22 | 175.9° | 60.0° |
HG | CG | CD2 | HD23 | 64.1° | 180.0° |
HD11 | CD1 | HD12 | HD13 | 120.0° | 120.0° |
HD21 | CD2 | HD22 | HD23 | 120.0° | 119.9° |
O | C | N1 | CA1 | 4.2° | 0.0° |
O | C | N1 | H1 | 175.8° | 180.0° |
C | N1 | CA1 | H1 | 180.0° | 180.0° |
C | N1 | CA1 | C1 | 54.4° | 155.0° |
C | N1 | CA1 | CB1 | 179.6° | 85.0° |
C | N1 | CA1 | HA1 | 61.5° | 35.0° |
N1 | CA1 | C1 | CB1 | 126.3° | 120.0° |
N1 | CA1 | C1 | HA1 | 115.5° | 120.1° |
N1 | CA1 | CB1 | HA1 | 115.9° | 120.0° |
N1 | CA1 | C1 | O1 | 42.6° | 0.0° |
N1 | CA1 | C1 | N2 | 138.9° | 180.0° |
N1 | CA1 | CB1 | CG1 | 72.5° | 65.0° |
N1 | CA1 | CB1 | HB21 | 47.5° | 55.0° |
N1 | CA1 | CB1 | HB31 | 167.5° | 175.0° |
H1 | N1 | CA1 | C1 | 125.6° | 25.0° |
H1 | N1 | CA1 | CB1 | 0.4° | 95.0° |
H1 | N1 | CA1 | HA1 | 118.5° | 145.1° |
C1 | CA1 | CB1 | HA1 | 116.4° | 120.0° |
CA1 | C1 | O1 | N2 | 178.3° | 180.0° |
C1 | CA1 | CB1 | CG1 | 159.7° | 175.0° |
C1 | CA1 | CB1 | HB21 | 80.3° | 65.0° |
C1 | CA1 | CB1 | HB31 | 39.8° | 55.0° |
CA1 | C1 | N2 | C7 | 178.8° | 180.0° |
CA1 | C1 | N2 | HN2 | 1.2° | 0.1° |
CB1 | CA1 | C1 | O1 | 83.6° | 120.0° |
CB1 | CA1 | C1 | N2 | 94.8° | 60.0° |
CA1 | CB1 | CG1 | HB21 | 120.0° | 120.0° |
CA1 | CB1 | CG1 | HB31 | 120.0° | 120.0° |
CA1 | CB1 | HB21 | HB31 | 118.7° | 120.0° |
CA1 | CB1 | CG1 | CD11 | 35.7° | 90.0° |
CA1 | CB1 | CG1 | CD21 | 145.7° | 90.3° |
HA1 | CA1 | C1 | O1 | 158.2° | 120.0° |
HA1 | CA1 | C1 | N2 | 23.4° | 59.9° |
HA1 | CA1 | CB1 | CG1 | 43.4° | 55.0° |
HA1 | CA1 | CB1 | HB21 | 163.4° | 175.0° |
HA1 | CA1 | CB1 | HB31 | 76.6° | 65.0° |
O1 | C1 | N2 | C7 | 2.8° | 0.0° |
O1 | C1 | N2 | HN2 | 177.2° | 180.0° |
C1 | N2 | C7 | C11 | 83.2° | 180.0° |
C1 | N2 | C7 | HN2 | 180.0° | 180.0° |
C1 | N2 | C7 | H11 | 36.8° | 60.1° |
C1 | N2 | C7 | H2A | 156.8° | 60.0° |
CG1 | CB1 | HB21 | HB31 | 118.8° | 120.0° |
CB1 | CG1 | CD11 | CD21 | 178.7° | 179.7° |
CB1 | CG1 | CD11 | CE1 | 177.0° | 180.0° |
CB1 | CG1 | CD11 | HD1 | 3.0° | 0.0° |
CB1 | CG1 | CD21 | CE2 | 176.7° | 180.0° |
CB1 | CG1 | CD21 | HD2 | 3.3° | 0.0° |
HB21 | CB1 | CG1 | CD11 | 155.6° | 30.0° |
HB21 | CB1 | CG1 | CD21 | 25.7° | 149.7° |
HB31 | CB1 | CG1 | CD11 | 84.3° | 149.9° |
HB31 | CB1 | CG1 | CD21 | 94.3° | 29.7° |
CG1 | CD11 | CE1 | HD1 | 180.0° | 180.0° |
CD11 | CG1 | CD21 | CE2 | 1.9° | 0.3° |
CD11 | CG1 | CD21 | HD2 | 178.1° | 179.7° |
CG1 | CD11 | CE1 | CZ | 0.3° | 0.1° |
CG1 | CD11 | CE1 | HE1 | 179.7° | 179.9° |
CD21 | CG1 | CD11 | CE1 | 1.7° | 0.3° |
CD21 | CG1 | CD11 | HD1 | 178.3° | 179.7° |
CG1 | CD21 | CE2 | HD2 | 180.0° | 180.0° |
CG1 | CD21 | CE2 | CZ | 0.7° | 0.1° |
CG1 | CD21 | CE2 | HE2 | 179.2° | 180.0° |
CD11 | CE1 | CZ | HE1 | 180.0° | 180.0° |
CD11 | CE1 | CZ | CE2 | 0.9° | 0.2° |
CD11 | CE1 | CZ | HZ | 179.1° | 179.9° |
HD1 | CD11 | CE1 | CZ | 179.7° | 180.0° |
HD1 | CD11 | CE1 | HE1 | 0.3° | 0.0° |
CD21 | CE2 | CZ | CE1 | 0.6° | 0.2° |
CD21 | CE2 | CZ | HE2 | 180.0° | 179.9° |
CD21 | CE2 | CZ | HZ | 179.3° | 179.9° |
HD2 | CD21 | CE2 | CZ | 179.2° | 179.9° |
HD2 | CD21 | CE2 | HE2 | 0.8° | 0.0° |
CE1 | CZ | CE2 | HZ | 180.0° | 179.9° |
CE1 | CZ | CE2 | HE2 | 179.4° | 179.7° |
HE1 | CE1 | CZ | CE2 | 179.1° | 179.8° |
HE1 | CE1 | CZ | HZ | 0.9° | 0.0° |
HE2 | CE2 | CZ | HZ | 0.7° | 0.1° |
C2 | C11 | C6 | C7 | 179.2° | 179.7° |
C11 | C2 | C3 | H21 | 180.0° | 179.9° |
C11 | C2 | C3 | C4 | 0.2° | 0.0° |
C11 | C2 | C3 | H3 | 179.8° | 180.0° |
C2 | C11 | C6 | C5 | 0.1° | 0.0° |
C2 | C11 | C6 | H6 | 179.9° | 180.0° |
C2 | C11 | C7 | N2 | 98.8° | 90.0° |
C2 | C11 | C7 | H11 | 141.2° | 150.0° |
C2 | C11 | C7 | H2A | 21.2° | 30.0° |
C6 | C11 | C2 | C3 | 0.4° | 0.0° |
C6 | C11 | C2 | H21 | 179.6° | 180.0° |
C11 | C6 | C5 | C4 | 0.3° | 0.0° |
C11 | C6 | C5 | H6 | 180.0° | 179.9° |
C11 | C6 | C5 | H5 | 179.7° | 180.0° |
C6 | C11 | C7 | N2 | 82.0° | 90.3° |
C6 | C11 | C7 | H11 | 38.0° | 29.7° |
C6 | C11 | C7 | H2A | 158.0° | 149.7° |
C7 | C11 | C2 | C3 | 178.8° | 179.7° |
C7 | C11 | C2 | H21 | 1.2° | 0.3° |
C7 | C11 | C6 | C5 | 179.1° | 179.7° |
C7 | C11 | C6 | H6 | 0.9° | 0.3° |
C11 | C7 | N2 | H11 | 120.0° | 119.9° |
C11 | C7 | N2 | H2A | 120.0° | 120.0° |
C11 | C7 | H11 | H2A | 121.6° | 120.0° |
C11 | C7 | N2 | HN2 | 96.8° | 0.0° |
C2 | C3 | C4 | H3 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 0.2° | 0.0° |
C2 | C3 | C4 | F | 178.9° | 180.0° |
H21 | C2 | C3 | C4 | 179.8° | 180.0° |
H21 | C2 | C3 | H3 | 0.3° | 0.1° |
C3 | C4 | C5 | F | 179.1° | 180.0° |
C3 | C4 | C5 | C6 | 0.5° | 0.0° |
C3 | C4 | C5 | H5 | 179.5° | 180.0° |
H3 | C3 | C4 | C5 | 179.8° | 180.0° |
H3 | C3 | C4 | F | 1.1° | 0.1° |
C4 | C5 | C6 | H5 | 180.0° | 180.0° |
C4 | C5 | C6 | H6 | 179.7° | 180.0° |
F | C4 | C5 | C6 | 178.6° | 180.0° |
F | C4 | C5 | H5 | 1.4° | 0.0° |
H5 | C5 | C6 | H6 | 0.3° | 0.0° |
N2 | C7 | H11 | H2A | 121.6° | 120.0° |
H11 | C7 | N2 | HN2 | 143.2° | 120.0° |
H2A | C7 | N2 | HN2 | 23.2° | 120.0° |