GZJ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CB | CG | sing | 1.53Å | 1.52Å | |
CB | CA | sing | 1.53Å | 1.53Å | |
N | CA | sing | 1.46Å | 1.45Å | |
N | C1 | sing | 1.35Å | 1.34Å | |
C2 | C1 | sing | 1.51Å | 1.50Å | |
CA | C | sing | 1.51Å | 1.53Å | |
O | C | doub | 1.21Å | 1.23Å | |
C1 | O1 | doub | 1.21Å | 1.23Å | |
C | OXT | sing | 1.34Å | 1.29Å | |
C2 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H4 | sing | 1.09Å | 1.10Å | |
C2 | H3 | sing | 1.09Å | 1.10Å | |
N | H | sing | 0.97Å | 1.00Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | H6 | sing | 1.09Å | 1.10Å | |
CB | H7 | sing | 1.09Å | 1.10Å | |
CG | H8 | sing | 1.09Å | 1.10Å | |
CG | H9 | sing | 1.09Å | 1.10Å | |
CG | H10 | sing | 1.09Å | 1.10Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CG | CB | CA | 113.1° | 109.5° |
CG | CB | H6 | 108.5° | 109.5° |
CG | CB | H7 | 108.5° | 109.5° |
CB | CG | H8 | 109.5° | 109.5° |
CB | CG | H9 | 109.5° | 109.5° |
CB | CG | H10 | 109.5° | 109.5° |
CB | CA | N | 110.5° | 109.5° |
CB | CA | C | 112.1° | 109.5° |
CB | CA | HA | 108.4° | 109.4° |
CA | CB | H6 | 108.6° | 109.5° |
CA | CB | H7 | 108.6° | 109.5° |
CA | N | C1 | 122.6° | 120.0° |
N | CA | C | 108.1° | 109.5° |
CA | N | H | 118.7° | 120.0° |
N | CA | HA | 109.4° | 109.5° |
N | C1 | C2 | 115.7° | 120.0° |
N | C1 | O1 | 122.4° | 120.0° |
C1 | N | H | 118.7° | 120.0° |
C2 | C1 | O1 | 121.8° | 120.0° |
C1 | C2 | H1 | 109.5° | 109.5° |
C1 | C2 | H4 | 109.5° | 109.4° |
C1 | C2 | H3 | 109.5° | 109.5° |
CA | C | O | 120.8° | 120.0° |
CA | C | OXT | 118.0° | 120.0° |
C | CA | HA | 108.4° | 109.5° |
O | C | OXT | 115.2° | 120.0° |
C | OXT | HXT | 109.5° | 117.0° |
H1 | C2 | H4 | 109.4° | 109.5° |
H1 | C2 | H3 | 109.5° | 109.5° |
H4 | C2 | H3 | 109.4° | 109.5° |
H6 | CB | H7 | 109.5° | 109.4° |
H8 | CG | H9 | 109.5° | 109.5° |
H8 | CG | H10 | 109.5° | 109.4° |
H9 | CG | H10 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CG | CB | CA | H6 | 120.5° | 120.0° |
CG | CB | CA | H7 | 120.5° | 120.0° |
CG | CB | CA | N | 176.3° | 65.0° |
CG | CB | CA | C | 55.6° | 175.0° |
CG | CB | CA | HA | 63.9° | 55.0° |
CG | CB | H6 | H7 | 118.3° | 120.0° |
CB | CG | H8 | H9 | 120.0° | 120.0° |
CB | CG | H8 | H10 | 120.0° | 120.0° |
CB | CG | H9 | H10 | 120.0° | 120.0° |
CB | CA | N | C | 123.0° | 120.0° |
CB | CA | N | HA | 119.2° | 120.0° |
CB | CA | N | C1 | 153.5° | 85.0° |
CB | CA | C | HA | 119.5° | 120.0° |
CB | CA | C | O | 24.9° | 120.0° |
CB | CA | C | OXT | 126.5° | 60.0° |
CB | CA | N | H | 26.6° | 95.0° |
CA | CB | H6 | H7 | 118.4° | 120.0° |
CA | CB | CG | H8 | 180.0° | 60.0° |
CA | CB | CG | H9 | 60.0° | 60.0° |
CA | CB | CG | H10 | 60.0° | 180.0° |
CA | N | C1 | H | 180.0° | 180.0° |
CA | N | C1 | C2 | 174.7° | 180.0° |
N | CA | C | HA | 118.4° | 120.0° |
N | CA | C | O | 97.1° | 0.0° |
CA | N | C1 | O1 | 4.7° | 0.1° |
N | CA | C | OXT | 111.5° | 180.0° |
N | CA | CB | H6 | 55.7° | 55.0° |
N | CA | CB | H7 | 63.2° | 175.0° |
N | C1 | C2 | O1 | 179.4° | 179.9° |
C1 | N | CA | C | 83.6° | 155.0° |
N | C1 | C2 | H1 | 179.4° | 0.1° |
N | C1 | C2 | H4 | 59.4° | 120.1° |
N | C1 | C2 | H3 | 60.6° | 120.0° |
C1 | N | CA | HA | 34.2° | 35.0° |
C1 | C2 | H1 | H4 | 120.0° | 119.9° |
C1 | C2 | H1 | H3 | 120.0° | 120.0° |
C1 | C2 | H4 | H3 | 120.0° | 120.0° |
C2 | C1 | N | H | 5.3° | 0.1° |
CA | C | O | OXT | 152.2° | 180.0° |
C | CA | N | H | 96.4° | 25.0° |
C | CA | CB | H6 | 64.9° | 65.0° |
C | CA | CB | H7 | 176.1° | 55.0° |
CA | C | OXT | HXT | 153.0° | 180.0° |
O | C | CA | HA | 144.5° | 120.0° |
O | C | OXT | HXT | 0.0° | 0.0° |
O1 | C1 | C2 | H1 | 0.0° | 180.0° |
O1 | C1 | C2 | H4 | 120.0° | 60.1° |
O1 | C1 | C2 | H3 | 120.0° | 59.9° |
O1 | C1 | N | H | 175.3° | 180.0° |
OXT | C | CA | HA | 7.0° | 60.0° |
H1 | C2 | H4 | H3 | 120.0° | 120.0° |
H | N | CA | HA | 145.8° | 145.0° |
HA | CA | CB | H6 | 175.6° | 175.0° |
HA | CA | CB | H7 | 56.6° | 65.0° |
H6 | CB | CG | H8 | 59.4° | 180.0° |
H6 | CB | CG | H9 | 60.5° | 60.0° |
H6 | CB | CG | H10 | 179.5° | 60.0° |
H7 | CB | CG | H8 | 59.5° | 60.0° |
H7 | CB | CG | H9 | 179.5° | 180.0° |
H7 | CB | CG | H10 | 60.5° | 60.0° |
H8 | CG | H9 | H10 | 120.0° | 119.9° |