CSD
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.44Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CA | CB | sing | 1.53Å | 1.42Å | |
CA | C | sing | 1.51Å | 1.48Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | SG | sing | 1.81Å | 1.92Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
SG | OD1 | doub | 1.42Å | 1.50Å | |
SG | OD2 | sing | 1.52Å | 1.55Å | |
C | O | doub | 1.21Å | 1.25Å | |
C | OXT | sing | 1.34Å | 1.38Å | |
OXT | HXT | sing | 0.97Å | 0.95Å | |
OD2 | HD2 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.4° | 111.0° |
N | CA | CB | 87.8° | 109.5° |
N | CA | C | 106.3° | 109.5° |
N | CA | HA | 120.1° | 109.5° |
H | N | H2 | 109.5° | 111.0° |
CB | CA | C | 96.6° | 109.5° |
CB | CA | HA | 120.6° | 109.5° |
CA | CB | SG | 117.4° | 109.5° |
CA | CB | HB2 | 107.5° | 109.5° |
CA | CB | HB3 | 107.5° | 109.5° |
C | CA | HA | 119.3° | 109.5° |
CA | C | O | 132.8° | 120.0° |
CA | C | OXT | 113.6° | 120.0° |
SG | CB | HB2 | 107.4° | 109.5° |
SG | CB | HB3 | 107.5° | 109.5° |
CB | SG | OD1 | 109.5° | 109.4° |
CB | SG | OD2 | 101.5° | 103.0° |
HB2 | CB | HB3 | 109.5° | 109.5° |
OD1 | SG | OD2 | 103.9° | 103.0° |
SG | OD2 | HD2 | 109.5° | 114.0° |
O | C | OXT | 111.2° | 120.0° |
C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | H | H2 | 120.0° | 124.0° |
N | CA | CB | C | 106.1° | 120.0° |
N | CA | CB | HA | 124.1° | 120.0° |
N | CA | C | HA | 139.6° | 120.0° |
N | CA | CB | SG | 99.6° | 60.0° |
N | CA | CB | HB2 | 21.5° | 60.0° |
N | CA | CB | HB3 | 139.3° | 180.0° |
N | CA | C | O | 28.7° | 20.0° |
N | CA | C | OXT | 131.5° | 160.0° |
H | N | CA | CB | 180.0° | 176.0° |
H | N | CA | C | 83.8° | 64.0° |
H | N | CA | HA | 55.5° | 56.0° |
H2 | N | CA | CB | 60.0° | 60.0° |
H2 | N | CA | C | 36.2° | 60.0° |
H2 | N | CA | HA | 175.5° | 180.0° |
CB | CA | C | HA | 130.7° | 120.0° |
CA | CB | SG | HB2 | 121.1° | 120.0° |
CA | CB | SG | HB3 | 121.2° | 120.0° |
CA | CB | HB2 | HB3 | 116.4° | 120.0° |
CA | CB | SG | OD1 | 160.6° | 71.0° |
CA | CB | SG | OD2 | 51.2° | 180.0° |
CB | CA | C | O | 60.9° | 100.0° |
CB | CA | C | OXT | 138.8° | 80.0° |
C | CA | CB | SG | 154.3° | 180.0° |
C | CA | CB | HB2 | 84.6° | 60.0° |
C | CA | CB | HB3 | 33.2° | 60.0° |
CA | C | O | OXT | 160.6° | 180.0° |
CA | C | OXT | HXT | 164.6° | 180.0° |
HA | CA | CB | SG | 24.5° | 60.0° |
HA | CA | CB | HB2 | 145.6° | NaN° |
HA | CA | CB | HB3 | 96.7° | 60.0° |
HA | CA | C | O | 168.3° | 140.0° |
HA | CA | C | OXT | 8.1° | 40.0° |
SG | CB | HB2 | HB3 | 116.4° | 120.0° |
CB | SG | OD1 | OD2 | 107.7° | 109.0° |
CB | SG | OD2 | HD2 | 113.6° | 180.0° |
HB2 | CB | SG | OD1 | 78.3° | 49.0° |
HB2 | CB | SG | OD2 | 172.3° | 60.0° |
HB3 | CB | SG | OD1 | 39.4° | 169.1° |
HB3 | CB | SG | OD2 | 70.0° | 60.0° |
OD1 | SG | OD2 | HD2 | 0.0° | 66.2° |
O | C | OXT | HXT | 0.0° | 0.0° |