GRN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CD2 | CE | doub | 1.38Å | 1.40Å | Aromatic |
CD2 | CG2 | sing | 1.38Å | 1.40Å | Aromatic |
CE | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
CG2 | CB | doub | 1.38Å | 1.40Å | Aromatic |
CD1 | CG1 | doub | 1.38Å | 1.43Å | Aromatic |
CB | CG1 | sing | 1.38Å | 1.40Å | Aromatic |
CB | CA | sing | 1.51Å | 1.54Å | |
N | CA | sing | 1.47Å | 1.46Å | |
CA | C1 | sing | 1.53Å | 1.54Å | |
CA | C | sing | 1.51Å | 1.51Å | |
C | O | doub | 1.21Å | 1.25Å | |
C | OXT | sing | 1.34Å | 1.30Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H4 | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CG2 | H7 | sing | 1.08Å | 1.08Å | |
CD2 | H8 | sing | 1.08Å | 1.08Å | |
CE | H9 | sing | 1.08Å | 1.08Å | |
CD1 | H10 | sing | 1.08Å | 1.08Å | |
CG1 | H11 | sing | 1.08Å | 1.08Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CE | CD2 | CG2 | 120.0° | 120.0° |
CD2 | CE | CD1 | 121.2° | 120.0° |
CE | CD2 | H8 | 120.0° | 120.0° |
CD2 | CE | H9 | 119.4° | 120.0° |
CD2 | CG2 | CB | 119.4° | 120.0° |
CD2 | CG2 | H7 | 120.3° | 120.0° |
CG2 | CD2 | H8 | 120.0° | 120.0° |
CE | CD1 | CG1 | 119.1° | 120.0° |
CD1 | CE | H9 | 119.4° | 119.9° |
CE | CD1 | H10 | 120.4° | 120.0° |
CG2 | CB | CG1 | 121.3° | 120.0° |
CG2 | CB | CA | 120.7° | 120.0° |
CB | CG2 | H7 | 120.3° | 120.0° |
CD1 | CG1 | CB | 118.9° | 120.0° |
CG1 | CD1 | H10 | 120.5° | 120.0° |
CD1 | CG1 | H11 | 120.6° | 120.0° |
CG1 | CB | CA | 117.9° | 120.0° |
CB | CG1 | H11 | 120.6° | 120.0° |
CB | CA | N | 112.4° | 109.4° |
CB | CA | C1 | 106.5° | 109.5° |
CB | CA | C | 108.3° | 109.5° |
N | CA | C1 | 112.2° | 109.5° |
N | CA | C | 106.3° | 109.5° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.0° |
C1 | CA | C | 111.1° | 109.5° |
CA | C1 | H1 | 109.5° | 109.5° |
CA | C1 | H4 | 109.5° | 109.5° |
CA | C1 | H3 | 109.5° | 109.5° |
CA | C | O | 122.2° | 120.0° |
CA | C | OXT | 126.2° | 120.0° |
O | C | OXT | 111.2° | 120.0° |
C | OXT | HXT | 109.5° | 117.0° |
H1 | C1 | H4 | 109.4° | 109.4° |
H1 | C1 | H3 | 109.5° | 109.5° |
H4 | C1 | H3 | 109.5° | 109.5° |
H | N | H2 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CE | CD2 | CG2 | H8 | 180.0° | 179.9° |
CD2 | CE | CD1 | H9 | 180.0° | 180.0° |
CE | CD2 | CG2 | CB | 0.0° | 0.0° |
CD2 | CE | CD1 | CG1 | 1.8° | 0.1° |
CE | CD2 | CG2 | H7 | 180.0° | 180.0° |
CD2 | CE | CD1 | H10 | 178.2° | 180.0° |
CG2 | CD2 | CE | CD1 | 1.8° | 0.0° |
CD2 | CG2 | CB | H7 | 180.0° | 179.9° |
CD2 | CG2 | CB | CG1 | 1.8° | 0.1° |
CD2 | CG2 | CB | CA | 179.5° | 179.8° |
CG2 | CD2 | CE | H9 | 178.2° | 180.0° |
CE | CD1 | CG1 | H10 | 180.0° | 179.9° |
CE | CD1 | CG1 | CB | 0.1° | 0.1° |
CD1 | CE | CD2 | H8 | 178.2° | 180.0° |
CE | CD1 | CG1 | H11 | 179.9° | 179.8° |
CG2 | CB | CG1 | CD1 | 1.7° | 0.0° |
CG2 | CB | CG1 | CA | 177.8° | 179.7° |
CG2 | CB | CA | N | 10.0° | 150.3° |
CG2 | CB | CA | C1 | 113.2° | 30.3° |
CG2 | CB | CA | C | 127.2° | 89.7° |
CB | CG2 | CD2 | H8 | 179.9° | 179.9° |
CG2 | CB | CG1 | H11 | 178.3° | 179.7° |
CD1 | CG1 | CB | H11 | 180.0° | 179.7° |
CD1 | CG1 | CB | CA | 179.5° | 179.7° |
CG1 | CD1 | CE | H9 | 178.1° | 179.9° |
CG1 | CB | CA | N | 167.7° | 30.0° |
CG1 | CB | CA | C1 | 69.0° | 150.0° |
CG1 | CB | CA | C | 50.6° | 89.9° |
CG1 | CB | CG2 | H7 | 178.2° | 180.0° |
CB | CG1 | CD1 | H10 | 179.9° | 180.0° |
CB | CA | N | C1 | 120.0° | 120.0° |
CB | CA | N | C | 118.3° | 120.0° |
CB | CA | C1 | C | 117.7° | 120.0° |
CB | CA | C | O | 97.4° | 25.1° |
CB | CA | C | OXT | 74.4° | 154.7° |
CB | CA | C1 | H1 | 180.0° | 60.0° |
CB | CA | C1 | H4 | 60.0° | 60.0° |
CB | CA | C1 | H3 | 60.0° | 180.0° |
CB | CA | N | H | 180.0° | 64.0° |
CB | CA | N | H2 | 60.0° | 60.0° |
CA | CB | CG2 | H7 | 0.5° | 0.3° |
CA | CB | CG1 | H11 | 0.5° | 0.0° |
N | CA | C1 | C | 118.9° | 120.0° |
N | CA | C | O | 141.7° | 145.0° |
N | CA | C | OXT | 46.5° | 34.8° |
N | CA | C1 | H1 | 56.6° | 179.9° |
N | CA | C1 | H4 | 176.6° | 60.0° |
N | CA | C1 | H3 | 63.4° | 60.0° |
CA | N | H | H2 | 120.0° | 124.0° |
C1 | CA | C | O | 19.3° | 95.0° |
C1 | CA | C | OXT | 168.9° | 85.2° |
CA | C1 | H1 | H4 | 120.0° | 120.0° |
CA | C1 | H1 | H3 | 120.0° | 120.0° |
CA | C1 | H4 | H3 | 120.0° | 120.0° |
C1 | CA | N | H | 60.0° | 56.0° |
C1 | CA | N | H2 | 60.0° | 180.0° |
CA | C | O | OXT | 172.9° | 179.8° |
C | CA | C1 | H1 | 62.3° | 60.0° |
C | CA | C1 | H4 | 57.7° | 180.0° |
C | CA | C1 | H3 | 177.7° | 60.0° |
C | CA | N | H | 61.7° | 176.1° |
C | CA | N | H2 | 178.3° | 59.9° |
CA | C | OXT | HXT | 172.6° | 179.8° |
O | C | OXT | HXT | 0.0° | 0.0° |
H1 | C1 | H4 | H3 | 120.0° | 120.0° |
H7 | CG2 | CD2 | H8 | 0.1° | 0.0° |
H8 | CD2 | CE | H9 | 1.8° | 0.0° |
H9 | CE | CD1 | H10 | 1.8° | 0.0° |
H10 | CD1 | CG1 | H11 | 0.1° | 0.3° |