RC7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OH | CZ | sing | 1.36Å | 1.36Å | |
CZ | CE1 | doub | 1.39Å | 1.41Å | Aromatic |
CZ | CE2 | sing | 1.39Å | 1.42Å | Aromatic |
CE1 | CD1 | sing | 1.37Å | 1.39Å | Aromatic |
CE2 | CD2 | doub | 1.37Å | 1.41Å | Aromatic |
CD1 | CG2 | doub | 1.40Å | 1.43Å | Aromatic |
CD2 | CG2 | sing | 1.40Å | 1.44Å | Aromatic |
CG2 | CB2 | sing | 1.46Å | 1.47Å | |
CB2 | CA2 | doub | 1.38Å | 1.39Å | |
CA2 | N2 | sing | 1.36Å | 1.36Å | |
CA2 | C2 | sing | 1.47Å | 1.47Å | |
N2 | C1 | doub | 1.31Å | 1.31Å | |
CD3 | CG1 | doub | 1.37Å | 1.37Å | Aromatic |
CD3 | NE1 | sing | 1.36Å | 1.37Å | Aromatic |
CB1 | CG1 | sing | 1.47Å | 1.47Å | |
CB1 | CA1 | doub | 1.35Å | 1.36Å | |
C2 | O2 | doub | 1.22Å | 1.22Å | |
C2 | N3 | sing | 1.35Å | 1.36Å | |
C1 | CA1 | sing | 1.46Å | 1.48Å | |
C1 | N3 | sing | 1.38Å | 1.39Å | |
CG1 | ND1 | sing | 1.36Å | 1.32Å | Aromatic |
NE1 | CE3 | sing | 1.36Å | 1.35Å | Aromatic |
N3 | CA3 | sing | 1.47Å | 1.49Å | |
ND1 | CE3 | doub | 1.30Å | 1.33Å | Aromatic |
CA3 | C3 | sing | 1.51Å | 1.49Å | |
C3 | O3 | doub | 1.21Å | 1.24Å | |
C3 | OXT | sing | 1.34Å | 1.33Å | |
CA3 | HA31 | sing | 1.09Å | 1.10Å | |
CA3 | HA32 | sing | 1.09Å | 1.10Å | |
CA1 | HA1 | sing | 1.08Å | 1.08Å | |
CB2 | HB21 | sing | 1.08Å | 1.08Å | |
CD1 | HD1 | sing | 1.08Å | 1.08Å | |
CD2 | HD2 | sing | 1.08Å | 1.08Å | |
CE1 | HE1 | sing | 1.08Å | 1.08Å | |
CE2 | HE2 | sing | 1.08Å | 1.08Å | |
OH | HOH | sing | 0.97Å | 0.95Å | |
CB1 | HB11 | sing | 1.08Å | 1.08Å | |
CD3 | HD3 | sing | 1.08Å | 1.08Å | |
NE1 | HNE1 | sing | 0.97Å | 1.00Å | |
CE3 | HE3 | sing | 1.08Å | 1.08Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OH | CZ | CE1 | 119.1° | 119.9° |
OH | CZ | CE2 | 120.3° | 119.8° |
CZ | OH | HOH | 109.5° | 114.0° |
CE1 | CZ | CE2 | 120.6° | 120.3° |
CZ | CE1 | CD1 | 120.4° | 120.1° |
CZ | CE1 | HE1 | 119.8° | 119.9° |
CZ | CE2 | CD2 | 119.8° | 120.1° |
CZ | CE2 | HE2 | 120.1° | 120.0° |
CE1 | CD1 | CG2 | 120.1° | 119.9° |
CE1 | CD1 | HD1 | 119.9° | 120.1° |
CD1 | CE1 | HE1 | 119.8° | 120.0° |
CE2 | CD2 | CG2 | 119.5° | 119.9° |
CE2 | CD2 | HD2 | 120.3° | 120.0° |
CD2 | CE2 | HE2 | 120.1° | 119.9° |
CD1 | CG2 | CD2 | 119.7° | 119.7° |
CD1 | CG2 | CB2 | 118.3° | 120.2° |
CG2 | CD1 | HD1 | 119.9° | 120.1° |
CD2 | CG2 | CB2 | 122.0° | 120.1° |
CG2 | CD2 | HD2 | 120.3° | 120.0° |
CG2 | CB2 | CA2 | 133.2° | 120.0° |
CG2 | CB2 | HB21 | 113.4° | 120.0° |
CB2 | CA2 | N2 | 127.9° | 126.9° |
CB2 | CA2 | C2 | 125.3° | 127.0° |
CA2 | CB2 | HB21 | 113.4° | 120.0° |
N2 | CA2 | C2 | 106.7° | 106.1° |
CA2 | N2 | C1 | 109.2° | 109.3° |
CA2 | C2 | O2 | 126.7° | 127.2° |
CA2 | C2 | N3 | 105.4° | 105.6° |
N2 | C1 | CA1 | 125.0° | 124.6° |
N2 | C1 | N3 | 110.8° | 110.8° |
CG1 | CD3 | NE1 | 107.0° | 106.7° |
CD3 | CG1 | CB1 | 125.7° | 126.3° |
CD3 | CG1 | ND1 | 108.1° | 107.5° |
CG1 | CD3 | HD3 | 126.5° | 126.6° |
CD3 | NE1 | CE3 | 107.3° | 107.6° |
NE1 | CD3 | HD3 | 126.5° | 126.7° |
CD3 | NE1 | HNE1 | 126.3° | 126.2° |
CG1 | CB1 | CA1 | 119.2° | 120.0° |
CB1 | CG1 | ND1 | 126.2° | 126.2° |
CG1 | CB1 | HB11 | 120.4° | 120.0° |
CB1 | CA1 | C1 | 122.1° | 120.0° |
CB1 | CA1 | HA1 | 119.0° | 119.9° |
CA1 | CB1 | HB11 | 120.4° | 119.9° |
O2 | C2 | N3 | 127.8° | 127.2° |
C2 | N3 | C1 | 107.9° | 108.2° |
C2 | N3 | CA3 | 127.4° | 125.9° |
CA1 | C1 | N3 | 124.3° | 124.6° |
C1 | CA1 | HA1 | 118.9° | 120.1° |
C1 | N3 | CA3 | 124.8° | 125.9° |
CG1 | ND1 | CE3 | 109.3° | 109.1° |
NE1 | CE3 | ND1 | 108.4° | 109.1° |
CE3 | NE1 | HNE1 | 126.4° | 126.3° |
NE1 | CE3 | HE3 | 125.8° | 125.4° |
N3 | CA3 | C3 | 118.4° | 109.4° |
N3 | CA3 | HA31 | 107.2° | 109.5° |
N3 | CA3 | HA32 | 107.2° | 109.5° |
ND1 | CE3 | HE3 | 125.8° | 125.4° |
CA3 | C3 | O3 | 120.5° | 120.0° |
CA3 | C3 | OXT | 117.7° | 120.0° |
C3 | CA3 | HA31 | 107.2° | 109.5° |
C3 | CA3 | HA32 | 107.2° | 109.5° |
O3 | C3 | OXT | 121.8° | 120.0° |
C3 | OXT | HXT | 109.5° | 117.0° |
HA31 | CA3 | HA32 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OH | CZ | CE1 | CE2 | 179.7° | 179.8° |
OH | CZ | CE1 | CD1 | 179.8° | 179.9° |
OH | CZ | CE2 | CD2 | 179.9° | 179.9° |
OH | CZ | CE1 | HE1 | 0.2° | 0.0° |
OH | CZ | CE2 | HE2 | 0.1° | 0.1° |
CZ | CE1 | CD1 | HE1 | 180.0° | 179.9° |
CE1 | CZ | CE2 | CD2 | 0.4° | 0.3° |
CZ | CE1 | CD1 | CG2 | 0.2° | 0.1° |
CZ | CE1 | CD1 | HD1 | 179.8° | 180.0° |
CE1 | CZ | CE2 | HE2 | 179.6° | 179.7° |
CE1 | CZ | OH | HOH | 180.0° | 90.0° |
CE2 | CZ | CE1 | CD1 | 0.4° | 0.3° |
CZ | CE2 | CD2 | HE2 | 180.0° | 180.0° |
CZ | CE2 | CD2 | CG2 | 0.2° | 0.1° |
CZ | CE2 | CD2 | HD2 | 179.8° | 180.0° |
CE2 | CZ | CE1 | HE1 | 179.6° | 179.8° |
CE2 | CZ | OH | HOH | 0.3° | 89.8° |
CE1 | CD1 | CG2 | HD1 | 180.0° | 180.0° |
CE1 | CD1 | CG2 | CD2 | 0.0° | 0.2° |
CE1 | CD1 | CG2 | CB2 | 178.4° | 179.9° |
CE2 | CD2 | CG2 | CD1 | 0.0° | 0.2° |
CE2 | CD2 | CG2 | HD2 | 180.0° | 179.9° |
CE2 | CD2 | CG2 | CB2 | 178.3° | 180.0° |
CD1 | CG2 | CD2 | CB2 | 178.3° | 179.8° |
CD1 | CG2 | CB2 | CA2 | 175.6° | 6.0° |
CD1 | CG2 | CB2 | HB21 | 4.4° | 174.0° |
CD1 | CG2 | CD2 | HD2 | 180.0° | 179.7° |
CG2 | CD1 | CE1 | HE1 | 179.8° | 180.0° |
CD2 | CG2 | CB2 | CA2 | 2.8° | 174.2° |
CD2 | CG2 | CB2 | HB21 | 177.2° | 5.7° |
CD2 | CG2 | CD1 | HD1 | 180.0° | 179.8° |
CG2 | CD2 | CE2 | HE2 | 179.9° | 180.0° |
CG2 | CB2 | CA2 | HB21 | 180.0° | 180.0° |
CG2 | CB2 | CA2 | N2 | 0.1° | 5.2° |
CG2 | CB2 | CA2 | C2 | 175.3° | 174.8° |
CB2 | CG2 | CD1 | HD1 | 1.7° | 0.0° |
CB2 | CG2 | CD2 | HD2 | 1.7° | 0.0° |
CB2 | CA2 | N2 | C2 | 175.9° | 179.9° |
CB2 | CA2 | N2 | C1 | 174.3° | 180.0° |
CB2 | CA2 | C2 | O2 | 4.4° | 0.1° |
CB2 | CA2 | C2 | N3 | 173.5° | 179.8° |
N2 | CA2 | C2 | O2 | 179.5° | 180.0° |
N2 | CA2 | C2 | N3 | 2.6° | 0.3° |
CA2 | N2 | C1 | CA1 | 179.0° | 180.0° |
CA2 | N2 | C1 | N3 | 0.2° | 0.2° |
N2 | CA2 | CB2 | HB21 | 179.9° | 174.9° |
C2 | CA2 | N2 | C1 | 1.7° | 0.0° |
CA2 | C2 | O2 | N3 | 177.4° | 179.7° |
CA2 | C2 | N3 | C1 | 2.5° | 0.4° |
CA2 | C2 | N3 | CA3 | 177.5° | 179.7° |
C2 | CA2 | CB2 | HB21 | 4.6° | 5.2° |
N2 | C1 | CA1 | CB1 | 0.3° | 0.2° |
N2 | C1 | N3 | C2 | 1.6° | 0.4° |
N2 | C1 | CA1 | N3 | 178.7° | 179.8° |
N2 | C1 | N3 | CA3 | 178.4° | 179.7° |
N2 | C1 | CA1 | HA1 | 179.7° | 179.7° |
CG1 | CD3 | NE1 | HD3 | 180.0° | 179.9° |
CD3 | CG1 | CB1 | ND1 | 179.4° | 179.7° |
CD3 | CG1 | CB1 | CA1 | 168.9° | 179.8° |
CG1 | CD3 | NE1 | CE3 | 0.1° | 0.1° |
CD3 | CG1 | ND1 | CE3 | 0.1° | 0.3° |
CD3 | CG1 | CB1 | HB11 | 11.2° | 0.3° |
CG1 | CD3 | NE1 | HNE1 | 179.9° | 180.0° |
NE1 | CD3 | CG1 | CB1 | 179.6° | 179.9° |
NE1 | CD3 | CG1 | ND1 | 0.1° | 0.2° |
CD3 | NE1 | CE3 | HNE1 | 180.0° | 179.9° |
CD3 | NE1 | CE3 | ND1 | 0.0° | 0.0° |
CD3 | NE1 | CE3 | HE3 | 180.0° | 179.9° |
CG1 | CB1 | CA1 | HB11 | 180.0° | 179.9° |
CG1 | CB1 | CA1 | C1 | 177.0° | 180.0° |
CB1 | CG1 | ND1 | CE3 | 179.6° | 180.0° |
CG1 | CB1 | CA1 | HA1 | 3.0° | 0.1° |
CB1 | CG1 | CD3 | HD3 | 0.4° | 0.0° |
CB1 | CA1 | C1 | HA1 | 180.0° | 179.9° |
CB1 | CA1 | C1 | N3 | 179.0° | 180.0° |
CA1 | CB1 | CG1 | ND1 | 10.5° | 0.1° |
O2 | C2 | N3 | C1 | 179.7° | 179.9° |
O2 | C2 | N3 | CA3 | 0.4° | 0.0° |
C2 | N3 | C1 | CA1 | 177.3° | 179.8° |
C2 | N3 | C1 | CA3 | 180.0° | 179.9° |
C2 | N3 | CA3 | C3 | 62.5° | 89.8° |
C2 | N3 | CA3 | HA31 | 58.8° | 30.2° |
C2 | N3 | CA3 | HA32 | 176.3° | 150.2° |
CA1 | C1 | N3 | CA3 | 2.8° | 0.1° |
C1 | CA1 | CB1 | HB11 | 3.0° | 0.1° |
C1 | N3 | CA3 | C3 | 117.6° | 90.0° |
C1 | N3 | CA3 | HA31 | 121.2° | 150.0° |
C1 | N3 | CA3 | HA32 | 3.7° | 30.0° |
N3 | C1 | CA1 | HA1 | 1.0° | 0.1° |
CG1 | ND1 | CE3 | NE1 | 0.1° | 0.2° |
ND1 | CG1 | CB1 | HB11 | 169.5° | 180.0° |
ND1 | CG1 | CD3 | HD3 | 179.9° | 179.7° |
CG1 | ND1 | CE3 | HE3 | 179.9° | 180.0° |
NE1 | CE3 | ND1 | HE3 | 180.0° | 179.9° |
CE3 | NE1 | CD3 | HD3 | 179.9° | 179.8° |
N3 | CA3 | C3 | HA31 | 121.3° | 120.0° |
N3 | CA3 | C3 | HA32 | 121.3° | 120.0° |
N3 | CA3 | C3 | O3 | 143.6° | 0.0° |
N3 | CA3 | C3 | OXT | 37.1° | 180.0° |
N3 | CA3 | HA31 | HA32 | 116.0° | 120.0° |
ND1 | CE3 | NE1 | HNE1 | 180.0° | 179.9° |
CA3 | C3 | O3 | OXT | 179.3° | 180.0° |
C3 | CA3 | HA31 | HA32 | 115.9° | 120.0° |
CA3 | C3 | OXT | HXT | 179.3° | 180.0° |
O3 | C3 | CA3 | HA31 | 22.3° | 120.0° |
O3 | C3 | CA3 | HA32 | 95.1° | 120.0° |
O3 | C3 | OXT | HXT | 0.0° | 0.0° |
OXT | C3 | CA3 | HA31 | 158.4° | 60.0° |
OXT | C3 | CA3 | HA32 | 84.2° | 60.0° |
HA1 | CA1 | CB1 | HB11 | 177.0° | 180.0° |
HD1 | CD1 | CE1 | HE1 | 0.2° | 0.0° |
HD2 | CD2 | CE2 | HE2 | 0.1° | 0.0° |
HD3 | CD3 | NE1 | HNE1 | 0.1° | 0.1° |
HNE1 | NE1 | CE3 | HE3 | 0.0° | 0.0° |