XZP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C | doub | 1.21Å | 1.23Å | |
C | CA | sing | 1.51Å | 1.52Å | |
N | CB | sing | 1.47Å | 1.51Å | |
CB | CA | sing | 1.54Å | 1.54Å | |
CB | CG | sing | 1.54Å | 1.53Å | |
CA | CE | sing | 1.55Å | 1.53Å | |
CG | CD | sing | 1.54Å | 1.51Å | |
CE | CD | sing | 1.55Å | 1.52Å | |
C | OXT | sing | 1.34Å | 1.35Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | HB | sing | 1.09Å | 1.10Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CG | H6 | sing | 1.09Å | 1.10Å | |
CG | H7 | sing | 1.09Å | 1.10Å | |
CD | H8 | sing | 1.09Å | 1.10Å | |
CD | H9 | sing | 1.09Å | 1.10Å | |
CE | H10 | sing | 1.09Å | 1.10Å | |
CE | H11 | 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) |
O | C | CA | 120.5° | 120.0° |
O | C | OXT | 122.5° | 120.0° |
C | CA | CB | 115.0° | 110.5° |
C | CA | CE | 107.9° | 110.5° |
CA | C | OXT | 117.0° | 120.0° |
C | CA | HA | 109.4° | 110.4° |
N | CB | CA | 120.5° | 110.0° |
N | CB | CG | 108.6° | 110.0° |
N | CB | HB | 107.3° | 110.0° |
CB | N | H | 109.5° | 111.0° |
CB | N | H2 | 109.4° | 111.0° |
CA | CB | CG | 105.7° | 106.6° |
CB | CA | CE | 105.9° | 104.2° |
CB | CA | HA | 109.2° | 110.6° |
CA | CB | HB | 106.9° | 110.0° |
CB | CG | CD | 107.4° | 106.6° |
CG | CB | HB | 107.1° | 110.0° |
CB | CG | H6 | 110.0° | 110.1° |
CB | CG | H7 | 110.0° | 110.0° |
CA | CE | CD | 106.5° | 102.7° |
CE | CA | HA | 109.3° | 110.4° |
CA | CE | H10 | 110.2° | 110.7° |
CA | CE | H11 | 110.2° | 110.8° |
CG | CD | CE | 108.3° | 104.2° |
CD | CG | H6 | 110.0° | 110.1° |
CD | CG | H7 | 110.0° | 110.1° |
CG | CD | H8 | 109.8° | 110.5° |
CG | CD | H9 | 109.8° | 110.5° |
CE | CD | H8 | 109.8° | 110.5° |
CE | CD | H9 | 109.8° | 110.6° |
CD | CE | H10 | 110.2° | 110.8° |
CD | CE | H11 | 110.2° | 110.8° |
C | OXT | HXT | 109.5° | 117.0° |
H | N | H2 | 109.5° | 111.0° |
H6 | CG | H7 | 109.5° | 110.0° |
H8 | CD | H9 | 109.5° | 110.4° |
H10 | CE | H11 | 109.5° | 110.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | CA | OXT | 179.9° | 179.7° |
O | C | CA | CB | 53.7° | 3.8° |
O | C | CA | CE | 64.3° | 118.6° |
O | C | CA | HA | 176.9° | 119.0° |
O | C | OXT | HXT | 0.0° | 0.0° |
C | CA | CB | N | 92.3° | 98.4° |
C | CA | CB | CE | 119.0° | 118.7° |
C | CA | CB | HA | 123.4° | 122.6° |
C | CA | CB | CG | 144.3° | 142.3° |
C | CA | CE | HA | 118.8° | 122.5° |
C | CA | CE | CD | 146.6° | 156.6° |
C | CA | CB | HB | 30.4° | 23.0° |
C | CA | CE | H10 | 27.0° | 38.3° |
C | CA | CE | H11 | 93.9° | 85.1° |
CA | C | OXT | HXT | 179.9° | 179.7° |
N | CB | CA | CG | 123.4° | 119.3° |
N | CB | CA | HB | 122.7° | 121.4° |
N | CB | CG | HB | 115.6° | 121.4° |
N | CB | CA | CE | 148.7° | 142.9° |
N | CB | CG | CD | 148.7° | 119.3° |
N | CB | CA | HA | 31.1° | 24.2° |
CB | N | H | H2 | 120.0° | 123.9° |
N | CB | CG | H6 | 29.1° | 0.0° |
N | CB | CG | H7 | 91.6° | 121.4° |
CA | CB | CG | HB | 113.7° | 119.3° |
CB | CA | CE | HA | 117.5° | 118.8° |
CA | CB | CG | CD | 18.1° | 0.0° |
CB | CA | CE | CD | 22.9° | 37.9° |
CB | CA | C | OXT | 126.4° | 175.9° |
CA | CB | N | H | 180.0° | 179.9° |
CA | CB | N | H2 | 60.0° | 56.1° |
CA | CB | CG | H6 | 101.6° | 119.3° |
CA | CB | CG | H7 | 137.7° | 119.3° |
CB | CA | CE | H10 | 96.6° | 80.4° |
CB | CA | CE | H11 | 142.5° | 156.3° |
CG | CB | CA | CE | 25.2° | 23.6° |
CB | CG | CD | H6 | 119.7° | 119.3° |
CB | CG | CD | H7 | 119.7° | 119.3° |
CB | CG | CD | CE | 4.0° | 23.6° |
CG | CB | CA | HA | 92.4° | 95.1° |
CG | CB | N | H | 58.0° | 62.8° |
CG | CB | N | H2 | 62.0° | 61.1° |
CB | CG | H6 | H7 | 121.0° | 121.4° |
CB | CG | CD | H8 | 123.8° | 95.1° |
CB | CG | CD | H9 | 115.8° | 142.4° |
CA | CE | CD | CG | 11.8° | 37.9° |
CA | CE | CD | H10 | 119.5° | 118.2° |
CA | CE | CD | H11 | 119.5° | 118.3° |
CE | CA | C | OXT | 115.7° | 61.1° |
CE | CA | CB | HB | 88.6° | 95.7° |
CA | CE | CD | H8 | 108.0° | 80.8° |
CA | CE | CD | H9 | 131.6° | 156.6° |
CA | CE | H10 | H11 | 121.4° | 123.4° |
CG | CD | CE | H8 | 119.8° | 118.7° |
CG | CD | CE | H9 | 119.8° | 118.7° |
CD | CG | CB | HB | 95.7° | 119.3° |
CD | CG | H6 | H7 | 120.9° | 121.4° |
CG | CD | H8 | H9 | 120.5° | 122.5° |
CG | CD | CE | H10 | 107.7° | 80.3° |
CG | CD | CE | H11 | 131.4° | 156.2° |
CD | CE | CA | HA | 94.6° | 80.9° |
CE | CD | CG | H6 | 115.7° | 142.9° |
CE | CD | CG | H7 | 123.6° | 95.7° |
CE | CD | H8 | H9 | 120.6° | 122.7° |
CD | CE | H10 | H11 | 121.4° | 123.4° |
OXT | C | CA | HA | 3.2° | 61.3° |
HA | CA | CB | HB | 153.8° | 145.6° |
HA | CA | CE | H10 | 145.9° | 160.8° |
HA | CA | CE | H11 | 25.0° | 37.4° |
HB | CB | N | H | 57.4° | 58.6° |
HB | CB | N | H2 | 177.5° | 177.5° |
HB | CB | CG | H6 | 144.7° | 121.4° |
HB | CB | CG | H7 | 24.0° | 0.0° |
H6 | CG | CD | H8 | 4.1° | 24.3° |
H6 | CG | CD | H9 | 124.5° | 98.2° |
H7 | CG | CD | H8 | 116.6° | 145.6° |
H7 | CG | CD | H9 | 3.8° | 23.1° |
H8 | CD | CE | H10 | 132.5° | 161.0° |
H8 | CD | CE | H11 | 11.6° | 37.6° |
H9 | CD | CE | H10 | 12.1° | 38.4° |
H9 | CD | CE | H11 | 108.8° | 85.0° |