DBU
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.36Å | 1.38Å | |
N | H | sing | 1.00Å | 1.02Å | |
N | H2 | sing | 1.00Å | 1.02Å | |
CA | CB | doub | 1.35Å | 1.34Å | |
CA | C | sing | 1.49Å | 1.52Å | |
CB | CG | sing | 1.50Å | 1.49Å | |
CB | HB | sing | 1.09Å | 1.08Å | |
CG | HG1 | sing | 1.09Å | 1.08Å | |
CG | HG2 | sing | 1.09Å | 1.08Å | |
CG | HG3 | sing | 1.09Å | 1.08Å | |
C | O | doub | 1.22Å | 1.23Å | |
C | OXT | sing | 1.36Å | 24.56Å | |
OXT | HXT | sing | 0.98Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | H | 120.2° | 118.6° |
CA | N | H2 | 108.4° | 118.6° |
N | CA | CB | 120.2° | 126.8° |
N | CA | C | 120.5° | 117.4° |
H | N | H2 | 108.3° | 122.8° |
CB | CA | C | 119.2° | 115.7° |
CA | CB | CG | 118.5° | 126.2° |
CA | CB | HB | 118.8° | 120.1° |
CA | C | O | 121.7° | 125.8° |
CA | C | OXT | 72.0° | 110.8° |
CG | CB | HB | 120.3° | 113.7° |
CB | CG | HG1 | 109.8° | 113.5° |
CB | CG | HG2 | 109.1° | 109.7° |
CB | CG | HG3 | 109.7° | 109.7° |
HG1 | CG | HG2 | 109.7° | 107.9° |
HG1 | CG | HG3 | 109.0° | 107.9° |
HG2 | CG | HG3 | 109.5° | 108.2° |
O | C | OXT | 152.1° | 123.4° |
C | OXT | HXT | 90.0° | 112.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | H | H2 | 125.3° | 180.0° |
N | CA | CB | C | 178.1° | 180.0° |
N | CA | CB | CG | 0.9° | 0.0° |
N | CA | CB | HB | 161.9° | 180.0° |
N | CA | C | O | 130.3° | 180.0° |
N | CA | C | OXT | 22.8° | 0.0° |
H | N | CA | CB | 180.0° | 169.6° |
H | N | CA | C | 2.0° | 10.3° |
H2 | N | CA | CB | 54.7° | 10.3° |
H2 | N | CA | C | 127.2° | 169.7° |
CA | CB | CG | HB | 162.5° | 180.0° |
CA | CB | CG | HG1 | 91.5° | 0.4° |
CA | CB | CG | HG2 | 148.2° | 120.3° |
CA | CB | CG | HG3 | 28.2° | 121.0° |
CB | CA | C | O | 51.7° | 0.1° |
CB | CA | C | OXT | 155.2° | 180.0° |
C | CA | CB | CG | 178.9° | 180.0° |
C | CA | CB | HB | 16.2° | 0.0° |
CA | C | O | OXT | 113.0° | 180.0° |
CA | C | OXT | HXT | 90.0° | 180.0° |
CB | CG | HG1 | HG2 | 119.9° | 121.7° |
CB | CG | HG1 | HG3 | 120.2° | 121.7° |
CB | CG | HG2 | HG3 | 120.1° | 119.6° |
HB | CB | CG | HG1 | 106.0° | 179.6° |
HB | CB | CG | HG2 | 14.3° | 59.7° |
HB | CB | CG | HG3 | 134.3° | 59.0° |
HG1 | CG | HG2 | HG3 | 119.6° | 116.4° |
O | C | OXT | HXT | 90.0° | 0.0° |