4VI
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | doub | 1.28Å | 1.25Å | |
O | C | doub | 1.21Å | 1.25Å | |
CA | C | sing | 1.48Å | 1.53Å | |
CA | CB | sing | 1.51Å | 1.53Å | |
CG | CB | sing | 1.51Å | 1.52Å | |
CG | CD | doub | 1.32Å | 1.31Å | |
C | OXT | sing | 1.35Å | 1.26Å | |
NE | CD | sing | 1.39Å | 1.45Å | |
NE | CZ | sing | 1.38Å | 1.45Å | |
NH1 | CZ | doub | 1.30Å | 1.45Å | |
CZ | NH2 | sing | 1.38Å | 1.25Å | |
CD | HD2 | sing | 1.08Å | 1.08Å | |
CG | HG2 | sing | 1.08Å | 1.08Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
NH1 | HH11 | sing | 0.97Å | 1.00Å | |
N | H | sing | 0.97Å | 1.00Å | |
NH2 | HH21 | sing | 0.97Å | 1.00Å | |
NH2 | HH22 | sing | 0.97Å | 1.00Å | |
OXT | HXT | sing | 0.97Å | 0.95Å | |
NE | H1 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N | CA | C | 119.8° | 120.0° |
N | CA | CB | 120.3° | 120.0° |
CA | N | H | 112.0° | 120.0° |
O | C | CA | 120.2° | 120.0° |
O | C | OXT | 119.0° | 120.0° |
C | CA | CB | 119.9° | 120.0° |
CA | C | OXT | 120.8° | 120.0° |
CA | CB | CG | 114.4° | 109.5° |
CA | CB | HB2 | 108.2° | 109.4° |
CA | CB | HB3 | 108.2° | 109.5° |
CB | CG | CD | 119.4° | 120.0° |
CB | CG | HG2 | 120.3° | 120.0° |
CG | CB | HB2 | 108.2° | 109.4° |
CG | CB | HB3 | 108.2° | 109.5° |
CG | CD | NE | 118.8° | 120.0° |
CG | CD | HD2 | 120.7° | 120.0° |
CD | CG | HG2 | 120.3° | 120.0° |
C | OXT | HXT | 109.5° | 117.0° |
CD | NE | CZ | 119.9° | 120.0° |
NE | CD | HD2 | 120.6° | 120.0° |
CD | NE | H1 | 120.0° | 120.0° |
NE | CZ | NH1 | 119.5° | 120.0° |
NE | CZ | NH2 | 120.2° | 120.0° |
CZ | NE | H1 | 120.0° | 120.0° |
NH1 | CZ | NH2 | 120.3° | 120.0° |
CZ | NH1 | HH11 | 112.0° | 120.0° |
CZ | NH2 | HH21 | 120.0° | 120.0° |
CZ | NH2 | HH22 | 120.0° | 120.0° |
HB2 | CB | HB3 | 109.5° | 109.5° |
HH21 | NH2 | HH22 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N | CA | C | O | 0.0° | 180.0° |
N | CA | C | CB | 179.5° | 180.0° |
N | CA | CB | CG | 35.9° | 0.0° |
N | CA | C | OXT | 179.9° | 0.1° |
N | CA | CB | HB2 | 84.8° | 120.0° |
N | CA | CB | HB3 | 156.6° | 120.0° |
O | C | CA | OXT | 179.8° | 179.9° |
O | C | CA | CB | 179.5° | 0.0° |
O | C | OXT | HXT | 0.0° | 0.1° |
C | CA | CB | CG | 144.6° | 180.0° |
C | CA | CB | HB2 | 94.7° | 60.0° |
C | CA | CB | HB3 | 23.8° | 60.0° |
C | CA | N | H | 179.5° | 180.0° |
CA | C | OXT | HXT | 179.8° | 180.0° |
CA | CB | CG | HB2 | 120.7° | 119.9° |
CA | CB | CG | HB3 | 120.7° | 120.0° |
CA | CB | CG | CD | 170.3° | 125.0° |
CB | CA | C | OXT | 0.3° | 179.9° |
CA | CB | CG | HG2 | 9.7° | 54.9° |
CA | CB | HB2 | HB3 | 117.7° | 120.0° |
CB | CA | N | H | 0.0° | 0.0° |
CB | CG | CD | HG2 | 180.0° | 179.9° |
CB | CG | CD | NE | 178.9° | 180.0° |
CB | CG | CD | HD2 | 1.1° | 0.1° |
CG | CB | HB2 | HB3 | 117.8° | 120.0° |
CG | CD | NE | HD2 | 180.0° | 180.0° |
CG | CD | NE | CZ | 173.5° | 180.0° |
CD | CG | CB | HB2 | 49.6° | 115.1° |
CD | CG | CB | HB3 | 69.0° | 5.0° |
CG | CD | NE | H1 | 6.5° | 0.0° |
CD | NE | CZ | H1 | 180.0° | 180.0° |
CD | NE | CZ | NH1 | 179.3° | 0.3° |
CD | NE | CZ | NH2 | 0.8° | 180.0° |
NE | CD | CG | HG2 | 1.1° | 0.0° |
NE | CZ | NH1 | NH2 | 179.9° | 179.7° |
CZ | NE | CD | HD2 | 6.5° | 0.0° |
NE | CZ | NH1 | HH11 | 180.0° | 179.7° |
NE | CZ | NH2 | HH21 | 179.9° | 179.7° |
NE | CZ | NH2 | HH22 | 0.0° | 0.3° |
NH1 | CZ | NH2 | HH21 | 0.0° | 0.0° |
NH1 | CZ | NH2 | HH22 | 180.0° | 180.0° |
NH1 | CZ | NE | H1 | 0.7° | 179.7° |
NH2 | CZ | NH1 | HH11 | 0.0° | 0.0° |
CZ | NH2 | HH21 | HH22 | 180.0° | 179.9° |
NH2 | CZ | NE | H1 | 179.2° | 0.0° |
HD2 | CD | CG | HG2 | 178.9° | 180.0° |
HD2 | CD | NE | H1 | 173.5° | 180.0° |
HG2 | CG | CB | HB2 | 130.4° | 65.0° |
HG2 | CG | CB | HB3 | 111.0° | 175.0° |