KZ1
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
SG1 | CB1 | sing | 1.81Å | 1.80Å | |
CB1 | CA1 | sing | 1.53Å | 1.51Å | |
CA1 | C1 | sing | 1.51Å | 1.48Å | |
C1 | N2 | doub | 1.30Å | 1.26Å | |
C1 | N3 | sing | 1.37Å | 1.31Å | |
N2 | CA2 | sing | 1.37Å | 1.33Å | |
N3 | C2 | sing | 1.35Å | 1.30Å | |
N3 | CA3 | sing | 1.47Å | 1.41Å | |
C2 | O2 | doub | 1.22Å | 1.19Å | |
C2 | CA2 | sing | 1.47Å | 1.43Å | |
CA2 | CB2 | doub | 1.38Å | 1.37Å | |
CA3 | C3 | sing | 1.51Å | 1.68Å | |
CB2 | CG2 | sing | 1.46Å | 1.46Å | |
CG2 | CD1 | doub | 1.40Å | 1.37Å | Aromatic |
CG2 | CD2 | sing | 1.40Å | 1.38Å | Aromatic |
CD1 | CE1 | sing | 1.38Å | 1.32Å | Aromatic |
CD1 | F2 | sing | 1.35Å | 1.34Å | |
CD2 | CE2 | doub | 1.38Å | 1.33Å | Aromatic |
CE1 | CZ | doub | 1.39Å | 1.34Å | Aromatic |
CE1 | F1 | sing | 1.35Å | 1.31Å | |
CE2 | CZ | sing | 1.39Å | 1.33Å | Aromatic |
CE2 | F3 | sing | 1.35Å | 1.31Å | |
CZ | OH | sing | 1.36Å | 1.31Å | |
C3 | O3 | doub | 1.21Å | 1.16Å | |
CA1 | N1 | sing | 1.47Å | 1.69Å | |
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 | HB2 | sing | 1.08Å | 1.08Å | |
CD2 | HD2 | sing | 1.08Å | 1.08Å | |
OH | H1 | sing | 0.97Å | 0.95Å | |
C3 | OXT | sing | 1.34Å | 1.41Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
SG1 | CB1 | CA1 | 98.6° | 109.4° |
CB1 | SG1 | HG1 | 102.0° | 103.0° |
SG1 | CB1 | HB11 | 112.1° | 109.5° |
SG1 | CB1 | HB12 | 112.1° | 109.4° |
CB1 | CA1 | C1 | 127.0° | 109.4° |
CB1 | CA1 | N1 | 104.9° | 109.5° |
CA1 | CB1 | HB11 | 112.1° | 109.5° |
CA1 | CB1 | HB12 | 112.1° | 109.5° |
CB1 | CA1 | HA1 | 103.2° | 109.5° |
CA1 | C1 | N2 | 127.6° | 124.3° |
CA1 | C1 | N3 | 121.7° | 124.4° |
C1 | CA1 | N1 | 113.1° | 109.4° |
C1 | CA1 | HA1 | 103.5° | 109.5° |
N2 | C1 | N3 | 110.6° | 111.3° |
C1 | N2 | CA2 | 110.0° | 109.3° |
C1 | N3 | C2 | 109.7° | 108.4° |
C1 | N3 | CA3 | 127.1° | 125.8° |
N2 | CA2 | C2 | 104.5° | 105.7° |
N2 | CA2 | CB2 | 129.0° | 127.1° |
C2 | N3 | CA3 | 123.2° | 125.8° |
N3 | C2 | O2 | 127.2° | 127.4° |
N3 | C2 | CA2 | 105.2° | 105.3° |
N3 | CA3 | C3 | 102.6° | 109.4° |
N3 | CA3 | HA31 | 111.1° | 109.5° |
N3 | CA3 | HA32 | 111.2° | 109.5° |
O2 | C2 | CA2 | 127.6° | 127.4° |
C2 | CA2 | CB2 | 126.5° | 127.1° |
CA2 | CB2 | CG2 | 123.1° | 120.0° |
CA2 | CB2 | HB2 | 118.4° | 120.0° |
CA3 | C3 | O3 | 90.6° | 120.0° |
C3 | CA3 | HA31 | 111.2° | 109.4° |
C3 | CA3 | HA32 | 111.1° | 109.5° |
CA3 | C3 | OXT | 154.5° | 120.0° |
CB2 | CG2 | CD1 | 121.4° | 120.2° |
CB2 | CG2 | CD2 | 120.1° | 120.1° |
CG2 | CB2 | HB2 | 118.4° | 120.0° |
CD1 | CG2 | CD2 | 118.5° | 119.7° |
CG2 | CD1 | CE1 | 119.5° | 119.8° |
CG2 | CD1 | F2 | 120.5° | 120.1° |
CG2 | CD2 | CE2 | 119.5° | 119.9° |
CG2 | CD2 | HD2 | 120.2° | 120.1° |
CE1 | CD1 | F2 | 119.9° | 120.1° |
CD1 | CE1 | CZ | 121.7° | 120.1° |
CD1 | CE1 | F1 | 119.5° | 119.9° |
CD2 | CE2 | CZ | 121.4° | 120.2° |
CD2 | CE2 | F3 | 119.0° | 119.9° |
CE2 | CD2 | HD2 | 120.3° | 120.0° |
CZ | CE1 | F1 | 118.9° | 120.0° |
CE1 | CZ | CE2 | 119.4° | 120.3° |
CE1 | CZ | OH | 120.7° | 119.9° |
CZ | CE2 | F3 | 119.7° | 119.9° |
CE2 | CZ | OH | 119.9° | 119.9° |
CZ | OH | H1 | 109.5° | 114.0° |
O3 | C3 | OXT | 114.9° | 120.0° |
CA1 | N1 | H | 109.5° | 111.0° |
CA1 | N1 | H2 | 109.4° | 110.9° |
N1 | CA1 | HA1 | 101.8° | 109.5° |
H | N1 | H2 | 109.5° | 111.1° |
HB11 | CB1 | HB12 | 109.5° | 109.5° |
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) |
SG1 | CB1 | CA1 | HB11 | 118.2° | 120.0° |
SG1 | CB1 | CA1 | HB12 | 118.2° | 119.9° |
SG1 | CB1 | CA1 | C1 | 145.2° | 180.0° |
SG1 | CB1 | CA1 | N1 | 79.6° | 60.0° |
SG1 | CB1 | HB11 | HB12 | 125.1° | 120.0° |
SG1 | CB1 | CA1 | HA1 | 26.7° | 60.1° |
CB1 | CA1 | C1 | N1 | 132.3° | 120.0° |
CB1 | CA1 | C1 | HA1 | 118.4° | 120.0° |
CB1 | CA1 | C1 | N2 | 12.2° | 85.0° |
CB1 | CA1 | C1 | N3 | 173.3° | 95.3° |
CB1 | CA1 | N1 | HA1 | 107.3° | 120.0° |
CB1 | CA1 | N1 | H | 180.0° | 60.0° |
CB1 | CA1 | N1 | H2 | 60.0° | 64.1° |
CA1 | CB1 | SG1 | HG1 | 180.0° | 180.0° |
CA1 | CB1 | HB11 | HB12 | 125.1° | 120.0° |
CA1 | C1 | N2 | N3 | 175.1° | 179.7° |
CA1 | C1 | N2 | CA2 | 176.3° | 180.0° |
CA1 | C1 | N3 | C2 | 176.5° | 180.0° |
CA1 | C1 | N3 | CA3 | 5.1° | 0.0° |
C1 | CA1 | N1 | HA1 | 110.4° | 120.0° |
C1 | CA1 | N1 | H | 37.7° | 60.0° |
C1 | CA1 | N1 | H2 | 82.3° | 176.0° |
C1 | CA1 | CB1 | HB11 | 27.0° | 60.0° |
C1 | CA1 | CB1 | HB12 | 96.6° | 60.0° |
N2 | C1 | N3 | C2 | 1.1° | 0.2° |
N2 | C1 | N3 | CA3 | 179.5° | 179.7° |
C1 | N2 | CA2 | C2 | 0.9° | 0.2° |
C1 | N2 | CA2 | CB2 | 178.6° | 180.0° |
N2 | C1 | CA1 | N1 | 144.4° | 34.9° |
N2 | C1 | CA1 | HA1 | 106.2° | 155.0° |
N3 | C1 | N2 | CA2 | 1.2° | 0.3° |
C1 | N3 | C2 | CA3 | 178.5° | 180.0° |
C1 | N3 | C2 | O2 | 179.1° | 180.0° |
C1 | N3 | C2 | CA2 | 0.5° | 0.1° |
C1 | N3 | CA3 | C3 | 121.4° | 90.0° |
N3 | C1 | CA1 | N1 | 41.0° | 144.8° |
N3 | C1 | CA1 | HA1 | 68.3° | 24.7° |
C1 | N3 | CA3 | HA31 | 119.7° | 150.0° |
C1 | N3 | CA3 | HA32 | 2.5° | 30.0° |
N2 | CA2 | C2 | N3 | 0.2° | 0.0° |
N2 | CA2 | C2 | O2 | 179.8° | 179.8° |
N2 | CA2 | C2 | CB2 | 179.5° | 179.8° |
N2 | CA2 | CB2 | CG2 | 2.3° | 7.1° |
N2 | CA2 | CB2 | HB2 | 177.7° | 172.9° |
N3 | C2 | O2 | CA2 | 179.5° | 179.8° |
N3 | C2 | CA2 | CB2 | 179.3° | 179.8° |
C2 | N3 | CA3 | C3 | 60.4° | 90.0° |
C2 | N3 | CA3 | HA31 | 58.5° | 29.9° |
C2 | N3 | CA3 | HA32 | 179.3° | 150.0° |
CA3 | N3 | C2 | O2 | 0.6° | 0.0° |
CA3 | N3 | C2 | CA2 | 179.0° | 179.8° |
N3 | CA3 | C3 | HA31 | 118.9° | 119.9° |
N3 | CA3 | C3 | HA32 | 118.9° | 120.0° |
N3 | CA3 | C3 | O3 | 145.6° | 0.1° |
N3 | CA3 | HA31 | HA32 | 123.2° | 120.0° |
N3 | CA3 | C3 | OXT | 35.5° | 180.0° |
O2 | C2 | CA2 | CB2 | 0.3° | 0.0° |
C2 | CA2 | CB2 | CG2 | 177.1° | 173.2° |
C2 | CA2 | CB2 | HB2 | 2.9° | 6.9° |
CA2 | CB2 | CG2 | HB2 | 180.0° | 180.0° |
CA2 | CB2 | CG2 | CD1 | 151.9° | 163.0° |
CA2 | CB2 | CG2 | CD2 | 28.1° | 16.8° |
CA3 | C3 | O3 | OXT | 179.5° | 180.0° |
C3 | CA3 | HA31 | HA32 | 123.2° | 120.0° |
CA3 | C3 | OXT | HXT | 178.8° | 180.0° |
CB2 | CG2 | CD1 | CD2 | 180.0° | 179.7° |
CB2 | CG2 | CD1 | CE1 | 179.4° | 180.0° |
CB2 | CG2 | CD1 | F2 | 0.3° | 0.0° |
CB2 | CG2 | CD2 | CE2 | 179.6° | 180.0° |
CB2 | CG2 | CD2 | HD2 | 0.4° | 0.0° |
CG2 | CD1 | CE1 | F2 | 179.6° | 179.9° |
CD1 | CG2 | CD2 | CE2 | 0.5° | 0.3° |
CG2 | CD1 | CE1 | CZ | 0.8° | 0.1° |
CG2 | CD1 | CE1 | F1 | 179.8° | 180.0° |
CD1 | CG2 | CB2 | HB2 | 28.1° | 17.0° |
CD1 | CG2 | CD2 | HD2 | 179.5° | 179.8° |
CD2 | CG2 | CD1 | CE1 | 0.6° | 0.2° |
CD2 | CG2 | CD1 | F2 | 179.8° | 179.7° |
CG2 | CD2 | CE2 | HD2 | 180.0° | 180.0° |
CG2 | CD2 | CE2 | CZ | 1.5° | 0.0° |
CG2 | CD2 | CE2 | F3 | 179.6° | 180.0° |
CD2 | CG2 | CB2 | HB2 | 151.9° | 163.2° |
CD1 | CE1 | CZ | F1 | 179.4° | 180.0° |
CD1 | CE1 | CZ | CE2 | 0.2° | 0.3° |
CD1 | CE1 | CZ | OH | 179.8° | 179.9° |
F2 | CD1 | CE1 | CZ | 179.6° | 180.0° |
F2 | CD1 | CE1 | F1 | 0.2° | 0.1° |
CD2 | CE2 | CZ | CE1 | 1.3° | 0.2° |
CD2 | CE2 | CZ | F3 | 178.9° | 180.0° |
CD2 | CE2 | CZ | OH | 179.1° | 180.0° |
CE1 | CZ | CE2 | OH | 179.6° | 179.8° |
CE1 | CZ | CE2 | F3 | 179.7° | 179.7° |
CE1 | CZ | OH | H1 | 180.0° | 90.0° |
F1 | CE1 | CZ | CE2 | 179.2° | 179.8° |
F1 | CE1 | CZ | OH | 0.4° | 0.0° |
CZ | CE2 | CD2 | HD2 | 178.6° | 180.0° |
CE2 | CZ | OH | H1 | 0.4° | 89.8° |
F3 | CE2 | CZ | OH | 0.2° | 0.0° |
F3 | CE2 | CD2 | HD2 | 0.4° | 0.0° |
O3 | C3 | CA3 | HA31 | 26.7° | 120.0° |
O3 | C3 | CA3 | HA32 | 95.5° | 120.0° |
O3 | C3 | OXT | HXT | 0.0° | 0.0° |
CA1 | N1 | H | H2 | 120.0° | 123.9° |
N1 | CA1 | CB1 | HB11 | 162.3° | 180.0° |
N1 | CA1 | CB1 | HB12 | 38.6° | 59.9° |
H | N1 | CA1 | HA1 | 72.7° | 180.0° |
H2 | N1 | CA1 | HA1 | 167.3° | 56.0° |
HG1 | SG1 | CB1 | HB11 | 61.8° | 60.0° |
HG1 | SG1 | CB1 | HB12 | 61.8° | 60.0° |
HB11 | CB1 | CA1 | HA1 | 91.5° | 60.0° |
HB12 | CB1 | CA1 | HA1 | 144.9° | NaN° |
HA31 | CA3 | C3 | OXT | 154.4° | 60.0° |
HA32 | CA3 | C3 | OXT | 83.4° | 60.0° |