BQ7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CA | C | sing | 1.51Å | 1.54Å | |
C | O1 | doub | 1.21Å | 1.26Å | |
C | O | sing | 1.34Å | 1.25Å | |
CB | N | sing | 1.47Å | 1.49Å | |
N | HN | sing | 1.01Å | 1.00Å | |
N | HNA | sing | 1.01Å | 1.00Å | |
O | HO | sing | 0.97Å | 0.95Å | |
FR | CA | sing | 1.40Å | 1.33Å | |
CB | CA | sing | 1.53Å | 1.57Å | |
CA | FS | sing | 1.40Å | 1.33Å | |
CG | CB | sing | 1.51Å | 1.55Å | |
CB | HB | sing | 1.09Å | 1.10Å | |
CD2 | CG | doub | 1.38Å | 1.40Å | Aromatic |
CG | CD1 | sing | 1.38Å | 1.41Å | Aromatic |
CE2 | CZ | doub | 1.38Å | 1.40Å | Aromatic |
CZ | CE1 | sing | 1.38Å | 1.40Å | Aromatic |
CZ | HZ | sing | 1.08Å | 1.08Å | |
CE1 | CD1 | doub | 1.38Å | 1.40Å | Aromatic |
CD1 | HD1 | sing | 1.08Å | 1.08Å | |
CE2 | CD2 | sing | 1.38Å | 1.40Å | 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) |
CA | C | O1 | 117.8° | 120.0° |
CA | C | O | 116.2° | 120.0° |
C | CA | FR | 109.5° | 109.4° |
C | CA | CB | 112.1° | 109.4° |
C | CA | FS | 106.9° | 109.5° |
O1 | C | O | 126.0° | 120.0° |
C | O | HO | 109.5° | 117.0° |
CB | N | HN | 109.5° | 111.0° |
CB | N | HNA | 109.5° | 111.1° |
N | CB | CA | 110.8° | 109.5° |
N | CB | CG | 109.8° | 109.4° |
N | CB | HB | 107.1° | 109.5° |
HN | N | HNA | 109.5° | 111.0° |
FR | CA | CB | 112.7° | 109.5° |
FR | CA | FS | 105.4° | 109.5° |
CB | CA | FS | 109.8° | 109.5° |
CA | CB | CG | 116.0° | 109.4° |
CA | CB | HB | 106.3° | 109.5° |
CG | CB | HB | 106.3° | 109.5° |
CB | CG | CD2 | 118.8° | 120.0° |
CB | CG | CD1 | 122.1° | 120.0° |
CD2 | CG | CD1 | 119.0° | 120.0° |
CG | CD2 | CE2 | 120.8° | 120.0° |
CG | CD2 | HD2 | 119.6° | 120.0° |
CG | CD1 | CE1 | 120.1° | 120.0° |
CG | CD1 | HD1 | 120.0° | 120.0° |
CE2 | CZ | CE1 | 119.4° | 119.9° |
CE2 | CZ | HZ | 120.3° | 120.1° |
CZ | CE2 | CD2 | 120.1° | 120.1° |
CZ | CE2 | HE2 | 120.0° | 119.9° |
CE1 | CZ | HZ | 120.3° | 120.0° |
CZ | CE1 | CD1 | 120.5° | 120.0° |
CZ | CE1 | HE1 | 119.7° | 120.0° |
CE1 | CD1 | HD1 | 119.9° | 120.0° |
CD1 | CE1 | HE1 | 119.7° | 120.0° |
CE2 | CD2 | HD2 | 119.6° | 120.1° |
CD2 | CE2 | HE2 | 119.9° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | C | O1 | O | 177.7° | 179.7° |
C | CA | CB | N | 40.6° | 66.4° |
CA | C | O | HO | 177.7° | 179.7° |
C | CA | FR | CB | 125.5° | 120.0° |
C | CA | FR | FS | 114.7° | 120.0° |
C | CA | CB | FS | 118.7° | 120.0° |
C | CA | CB | CG | 85.4° | 173.6° |
C | CA | CB | HB | 156.6° | 53.6° |
O1 | C | O | HO | 0.0° | 0.0° |
O1 | C | CA | FR | 88.9° | 95.0° |
O1 | C | CA | CB | 36.9° | 25.0° |
O1 | C | CA | FS | 157.3° | 145.0° |
O | C | CA | FR | 89.0° | 84.7° |
O | C | CA | CB | 145.2° | 155.3° |
O | C | CA | FS | 24.8° | 35.3° |
CB | N | HN | HNA | 120.0° | 124.0° |
N | CB | CA | FR | 164.7° | 53.5° |
N | CB | CA | CG | 126.1° | 119.9° |
N | CB | CA | HB | 116.0° | 120.1° |
N | CB | CA | FS | 78.1° | 173.6° |
N | CB | CG | HB | 115.5° | 120.0° |
N | CB | CG | CD2 | 133.6° | 39.7° |
N | CB | CG | CD1 | 43.0° | 140.0° |
HN | N | CB | CA | 180.0° | 59.9° |
HN | N | CB | CG | 50.5° | 179.8° |
HN | N | CB | HB | 64.5° | 60.2° |
HNA | N | CB | CA | 60.0° | 64.1° |
HNA | N | CB | CG | 170.5° | 55.9° |
HNA | N | CB | HB | 55.5° | 175.9° |
FR | CA | CB | FS | 117.2° | 120.0° |
FR | CA | CB | CG | 38.6° | 66.4° |
FR | CA | CB | HB | 79.3° | 173.6° |
CA | CB | CG | HB | 117.9° | 120.0° |
CA | CB | CG | CD2 | 99.8° | 80.3° |
CA | CB | CG | CD1 | 83.6° | 100.0° |
FS | CA | CB | CG | 155.8° | 53.6° |
FS | CA | CB | HB | 37.9° | 66.4° |
CB | CG | CD2 | CD1 | 176.7° | 179.7° |
CB | CG | CD1 | CE1 | 178.5° | 180.0° |
CB | CG | CD1 | HD1 | 1.5° | 0.0° |
CB | CG | CD2 | CE2 | 179.0° | 180.0° |
CB | CG | CD2 | HD2 | 1.0° | 0.1° |
HB | CB | CG | CD2 | 18.1° | 159.7° |
HB | CB | CG | CD1 | 158.5° | 20.0° |
CG | CD2 | CE2 | CZ | 1.3° | 0.0° |
CD2 | CG | CD1 | CE1 | 1.9° | 0.3° |
CD2 | CG | CD1 | HD1 | 178.1° | 179.7° |
CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
CG | CD2 | CE2 | HE2 | 178.7° | 179.7° |
CG | CD1 | CE1 | CZ | 0.6° | 0.0° |
CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
CD1 | CG | CD2 | CE2 | 2.3° | 0.3° |
CD1 | CG | CD2 | HD2 | 177.8° | 179.8° |
CG | CD1 | CE1 | HE1 | 179.5° | 179.7° |
CE2 | CZ | CE1 | HZ | 180.0° | 179.8° |
CE2 | CZ | CE1 | CD1 | 0.4° | 0.3° |
CZ | CE2 | CD2 | HE2 | 180.0° | 179.7° |
CZ | CE2 | CD2 | HD2 | 178.7° | 179.9° |
CE2 | CZ | CE1 | HE1 | 179.6° | 180.0° |
CZ | CE1 | CD1 | HE1 | 180.0° | 179.8° |
CZ | CE1 | CD1 | HD1 | 179.4° | 180.0° |
CE1 | CZ | CE2 | CD2 | 0.0° | 0.3° |
CE1 | CZ | CE2 | HE2 | 180.0° | 180.0° |
HZ | CZ | CE1 | CD1 | 179.6° | 180.0° |
HZ | CZ | CE2 | CD2 | 180.0° | 180.0° |
HZ | CZ | CE1 | HE1 | 0.4° | 0.2° |
HZ | CZ | CE2 | HE2 | 0.0° | 0.3° |
HD1 | CD1 | CE1 | HE1 | 0.5° | 0.3° |
HD2 | CD2 | CE2 | HE2 | 1.3° | 0.2° |