KZ7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CL | CE1 | sing | 1.74Å | 1.76Å | |
OH | CZ | sing | 1.36Å | 1.40Å | |
CE1 | CZ | doub | 1.39Å | 1.38Å | Aromatic |
CE1 | CD1 | sing | 1.38Å | 1.38Å | Aromatic |
CZ | CE2 | sing | 1.39Å | 1.39Å | Aromatic |
CD1 | CG2 | doub | 1.40Å | 1.38Å | Aromatic |
CE2 | CD2 | doub | 1.38Å | 1.39Å | Aromatic |
CG2 | CD2 | sing | 1.40Å | 1.39Å | Aromatic |
CG2 | CB2 | sing | 1.47Å | 1.54Å | |
CB2 | CA2 | doub | 1.38Å | 1.33Å | |
CA2 | N2 | sing | 1.37Å | 1.32Å | |
CA2 | C2 | sing | 1.47Å | 1.37Å | |
O2 | C2 | doub | 1.22Å | 1.18Å | |
N2 | C1 | doub | 1.30Å | 1.35Å | |
C2 | N3 | sing | 1.35Å | 1.32Å | |
C1 | N3 | sing | 1.37Å | 1.35Å | |
C1 | CA1 | sing | 1.51Å | 1.52Å | |
N3 | CA3 | sing | 1.47Å | 1.46Å | |
CB1 | CA1 | sing | 1.53Å | 1.53Å | |
CB1 | SG1 | sing | 1.81Å | 1.82Å | |
CA1 | N1 | sing | 1.47Å | 1.45Å | |
CA3 | C3 | sing | 1.51Å | 1.53Å | |
C3 | O3 | doub | 1.21Å | 1.26Å | |
N1 | H | sing | 1.01Å | 1.00Å | |
N1 | H2 | sing | 1.01Å | 1.00Å | |
SG1 | HG1 | sing | 1.34Å | 1.30Å | |
CB1 | HB11 | sing | 1.09Å | 1.10Å | |
CB1 | HB12 | sing | 1.09Å | 1.10Å | |
CA1 | HA1 | sing | 1.09Å | 1.10Å | |
CA3 | HA31 | sing | 1.09Å | 1.10Å | |
CA3 | HA32 | sing | 1.09Å | 1.10Å | |
CB2 | HB1 | sing | 1.08Å | 1.08Å | |
CD1 | HD1 | sing | 1.08Å | 1.08Å | |
CD2 | HD2 | sing | 1.08Å | 1.08Å | |
CE2 | HE2 | sing | 1.08Å | 1.08Å | |
OH | H1 | sing | 0.97Å | 0.95Å | |
C3 | OXT | sing | 1.34Å | 1.03Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CL | CE1 | CZ | 118.5° | 119.9° |
CL | CE1 | CD1 | 120.6° | 120.0° |
OH | CZ | CE1 | 117.8° | 119.8° |
OH | CZ | CE2 | 122.5° | 119.9° |
CZ | OH | H1 | 109.5° | 114.0° |
CZ | CE1 | CD1 | 121.0° | 120.1° |
CE1 | CZ | CE2 | 119.7° | 120.3° |
CE1 | CD1 | CG2 | 120.1° | 119.8° |
CE1 | CD1 | HD1 | 120.0° | 120.1° |
CZ | CE2 | CD2 | 119.5° | 120.1° |
CZ | CE2 | HE2 | 120.3° | 119.9° |
CD1 | CG2 | CD2 | 119.2° | 119.8° |
CD1 | CG2 | CB2 | 117.5° | 120.1° |
CG2 | CD1 | HD1 | 119.9° | 120.1° |
CE2 | CD2 | CG2 | 120.5° | 119.9° |
CE2 | CD2 | HD2 | 119.7° | 120.0° |
CD2 | CE2 | HE2 | 120.3° | 119.9° |
CD2 | CG2 | CB2 | 123.3° | 120.1° |
CG2 | CD2 | HD2 | 119.7° | 120.1° |
CG2 | CB2 | CA2 | 126.9° | 120.0° |
CG2 | CB2 | HB1 | 116.6° | 120.0° |
CB2 | CA2 | N2 | 128.8° | 127.2° |
CB2 | CA2 | C2 | 123.2° | 127.1° |
CA2 | CB2 | HB1 | 116.6° | 120.0° |
N2 | CA2 | C2 | 108.0° | 105.7° |
CA2 | N2 | C1 | 107.3° | 109.4° |
CA2 | C2 | O2 | 125.0° | 127.4° |
CA2 | C2 | N3 | 108.6° | 105.3° |
O2 | C2 | N3 | 126.4° | 127.4° |
N2 | C1 | N3 | 108.9° | 111.3° |
N2 | C1 | CA1 | 127.3° | 124.3° |
C2 | N3 | C1 | 107.3° | 108.4° |
C2 | N3 | CA3 | 127.2° | 125.9° |
N3 | C1 | CA1 | 123.9° | 124.4° |
C1 | N3 | CA3 | 125.4° | 125.8° |
C1 | CA1 | CB1 | 110.9° | 109.4° |
C1 | CA1 | N1 | 107.6° | 109.5° |
C1 | CA1 | HA1 | 109.2° | 109.5° |
N3 | CA3 | C3 | 112.0° | 109.5° |
N3 | CA3 | HA31 | 108.8° | 109.4° |
N3 | CA3 | HA32 | 108.9° | 109.5° |
CA1 | CB1 | SG1 | 109.2° | 109.5° |
CB1 | CA1 | N1 | 109.9° | 109.5° |
CA1 | CB1 | HB11 | 109.5° | 109.5° |
CA1 | CB1 | HB12 | 109.6° | 109.5° |
CB1 | CA1 | HA1 | 109.0° | 109.5° |
CB1 | SG1 | HG1 | 102.0° | 103.0° |
SG1 | CB1 | HB11 | 109.5° | 109.4° |
SG1 | CB1 | HB12 | 109.5° | 109.4° |
CA1 | N1 | H | 109.5° | 111.1° |
CA1 | N1 | H2 | 109.5° | 111.0° |
N1 | CA1 | HA1 | 110.2° | 109.4° |
CA3 | C3 | O3 | 121.5° | 120.1° |
C3 | CA3 | HA31 | 108.9° | 109.5° |
C3 | CA3 | HA32 | 108.8° | 109.5° |
CA3 | C3 | OXT | 119.2° | 120.0° |
O3 | C3 | OXT | 119.2° | 120.0° |
H | N1 | H2 | 109.5° | 111.0° |
HB11 | CB1 | HB12 | 109.5° | 109.4° |
HA31 | CA3 | HA32 | 109.5° | 109.5° |
C3 | OXT | HXT | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CL | CE1 | CZ | OH | 0.4° | 0.2° |
CL | CE1 | CZ | CD1 | 180.0° | 179.8° |
CL | CE1 | CZ | CE2 | 179.7° | 180.0° |
CL | CE1 | CD1 | CG2 | 179.9° | 179.7° |
CL | CE1 | CD1 | HD1 | 0.1° | 0.3° |
OH | CZ | CE1 | CE2 | 179.9° | 179.7° |
OH | CZ | CE1 | CD1 | 179.6° | 180.0° |
OH | CZ | CE2 | CD2 | 179.1° | 179.7° |
OH | CZ | CE2 | HE2 | 0.9° | 0.3° |
CZ | CE1 | CD1 | CG2 | 0.1° | 0.0° |
CE1 | CZ | CE2 | CD2 | 0.8° | 0.5° |
CZ | CE1 | CD1 | HD1 | 180.0° | 180.0° |
CE1 | CZ | CE2 | HE2 | 179.2° | 179.9° |
CE1 | CZ | OH | H1 | 180.0° | 90.0° |
CD1 | CE1 | CZ | CE2 | 0.3° | 0.3° |
CE1 | CD1 | CG2 | HD1 | 180.0° | 180.0° |
CE1 | CD1 | CG2 | CD2 | 0.3° | 0.1° |
CE1 | CD1 | CG2 | CB2 | 179.7° | 179.8° |
CZ | CE2 | CD2 | HE2 | 180.0° | 179.4° |
CZ | CE2 | CD2 | CG2 | 1.1° | 0.5° |
CZ | CE2 | CD2 | HD2 | 178.9° | 179.4° |
CE2 | CZ | OH | H1 | 0.2° | 90.3° |
CD1 | CG2 | CD2 | CE2 | 0.9° | 0.2° |
CD1 | CG2 | CD2 | CB2 | 179.3° | 179.8° |
CD1 | CG2 | CB2 | CA2 | 151.3° | 173.8° |
CD1 | CG2 | CB2 | HB1 | 28.7° | 6.2° |
CD1 | CG2 | CD2 | HD2 | 179.1° | 179.7° |
CE2 | CD2 | CG2 | HD2 | 180.0° | 179.9° |
CE2 | CD2 | CG2 | CB2 | 179.8° | 180.0° |
CD2 | CG2 | CB2 | CA2 | 29.4° | 6.0° |
CD2 | CG2 | CB2 | HB1 | 150.6° | 174.0° |
CD2 | CG2 | CD1 | HD1 | 179.7° | 179.9° |
CG2 | CD2 | CE2 | HE2 | 178.9° | 179.9° |
CG2 | CB2 | CA2 | HB1 | 180.0° | 180.0° |
CG2 | CB2 | CA2 | N2 | 16.1° | 5.2° |
CG2 | CB2 | CA2 | C2 | 165.6° | 174.5° |
CB2 | CG2 | CD1 | HD1 | 0.3° | 0.3° |
CB2 | CG2 | CD2 | HD2 | 0.2° | 0.1° |
CB2 | CA2 | N2 | C2 | 178.5° | 179.7° |
CB2 | CA2 | C2 | O2 | 2.5° | 0.3° |
CB2 | CA2 | N2 | C1 | 179.2° | 179.9° |
CB2 | CA2 | C2 | N3 | 179.2° | 179.9° |
N2 | CA2 | C2 | O2 | 178.9° | 180.0° |
N2 | CA2 | C2 | N3 | 0.6° | 0.4° |
CA2 | N2 | C1 | N3 | 0.5° | 0.1° |
CA2 | N2 | C1 | CA1 | 179.6° | 179.7° |
N2 | CA2 | CB2 | HB1 | 163.9° | 174.9° |
CA2 | C2 | O2 | N3 | 178.0° | 179.5° |
C2 | CA2 | N2 | C1 | 0.7° | 0.2° |
CA2 | C2 | N3 | C1 | 0.3° | 0.4° |
CA2 | C2 | N3 | CA3 | 178.2° | 179.6° |
C2 | CA2 | CB2 | HB1 | 14.4° | 5.5° |
O2 | C2 | N3 | C1 | 178.5° | 180.0° |
O2 | C2 | N3 | CA3 | 0.0° | 0.0° |
N2 | C1 | N3 | C2 | 0.1° | 0.3° |
N2 | C1 | N3 | CA1 | 179.2° | 179.7° |
N2 | C1 | N3 | CA3 | 178.7° | 179.7° |
N2 | C1 | CA1 | CB1 | 6.8° | 85.4° |
N2 | C1 | CA1 | N1 | 113.4° | 34.7° |
N2 | C1 | CA1 | HA1 | 127.0° | 154.6° |
C2 | N3 | C1 | CA3 | 178.6° | 180.0° |
C2 | N3 | C1 | CA1 | 179.3° | 180.0° |
C2 | N3 | CA3 | C3 | 53.1° | 90.0° |
C2 | N3 | CA3 | HA31 | 67.3° | 30.0° |
C2 | N3 | CA3 | HA32 | 173.5° | 150.0° |
N3 | C1 | CA1 | CB1 | 172.2° | 95.0° |
N3 | C1 | CA1 | N1 | 67.6° | 144.9° |
C1 | N3 | CA3 | C3 | 128.6° | 90.0° |
N3 | C1 | CA1 | HA1 | 52.0° | 25.0° |
C1 | N3 | CA3 | HA31 | 111.0° | 150.1° |
C1 | N3 | CA3 | HA32 | 8.2° | 30.0° |
CA1 | C1 | N3 | CA3 | 2.1° | 0.1° |
C1 | CA1 | CB1 | N1 | 118.9° | 120.0° |
C1 | CA1 | CB1 | HA1 | 120.2° | 120.0° |
C1 | CA1 | CB1 | SG1 | 165.1° | 180.0° |
C1 | CA1 | N1 | HA1 | 118.9° | 120.0° |
C1 | CA1 | N1 | H | 180.0° | 63.9° |
C1 | CA1 | N1 | H2 | 60.0° | 60.1° |
C1 | CA1 | CB1 | HB11 | 75.0° | 60.0° |
C1 | CA1 | CB1 | HB12 | 45.2° | 60.0° |
N3 | CA3 | C3 | HA31 | 120.4° | 119.9° |
N3 | CA3 | C3 | HA32 | 120.4° | 120.0° |
N3 | CA3 | C3 | O3 | 153.7° | 0.0° |
N3 | CA3 | HA31 | HA32 | 118.9° | 120.0° |
N3 | CA3 | C3 | OXT | 26.2° | 179.9° |
CA1 | CB1 | SG1 | HB11 | 119.9° | 120.1° |
CA1 | CB1 | SG1 | HB12 | 120.0° | 120.0° |
CB1 | CA1 | N1 | HA1 | 120.2° | 120.0° |
CB1 | CA1 | N1 | H | 59.1° | 176.1° |
CB1 | CA1 | N1 | H2 | 179.1° | 59.9° |
CA1 | CB1 | SG1 | HG1 | 180.0° | 180.0° |
CA1 | CB1 | HB11 | HB12 | 120.2° | 120.1° |
SG1 | CB1 | CA1 | N1 | 76.0° | 60.0° |
SG1 | CB1 | HB11 | HB12 | 120.1° | 119.9° |
SG1 | CB1 | CA1 | HA1 | 44.9° | 60.0° |
CA1 | N1 | H | H2 | 120.0° | 124.0° |
N1 | CA1 | CB1 | HB11 | 43.9° | 180.0° |
N1 | CA1 | CB1 | HB12 | 164.1° | 60.0° |
CA3 | C3 | O3 | OXT | 180.0° | 180.0° |
C3 | CA3 | HA31 | HA32 | 118.8° | 120.0° |
CA3 | C3 | OXT | HXT | 180.0° | 180.0° |
O3 | C3 | CA3 | HA31 | 33.4° | 119.9° |
O3 | C3 | CA3 | HA32 | 85.9° | 120.0° |
O3 | C3 | OXT | HXT | 0.0° | 0.1° |
H | N1 | CA1 | HA1 | 61.1° | 56.0° |
H2 | N1 | CA1 | HA1 | 59.0° | 180.0° |
HG1 | SG1 | CB1 | HB11 | 60.0° | 59.9° |
HG1 | SG1 | CB1 | HB12 | 60.1° | 60.0° |
HB11 | CB1 | CA1 | HA1 | 164.8° | 60.0° |
HB12 | CB1 | CA1 | HA1 | 75.1° | NaN° |
HA31 | CA3 | C3 | OXT | 146.6° | 60.0° |
HA32 | CA3 | C3 | OXT | 94.2° | 60.0° |
HD2 | CD2 | CE2 | HE2 | 1.1° | 0.0° |