02V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | C1 | sing | 1.47Å | 1.48Å | |
N | CA | sing | 1.47Å | 1.47Å | |
CA | C19 | sing | 1.51Å | 1.54Å | |
CA | C | sing | 1.51Å | 1.54Å | |
C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
C19 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
C20 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
C21 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
C22 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
C23 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
C23 | O2 | sing | 1.36Å | 1.23Å | |
C | O | doub | 1.21Å | 1.23Å | |
C1 | H17 | sing | 1.09Å | 1.10Å | |
C1 | H17A | sing | 1.09Å | 1.10Å | |
C1 | H17B | sing | 1.09Å | 1.10Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
C20 | H20 | sing | 1.08Å | 1.08Å | |
C21 | H21 | sing | 1.08Å | 1.08Å | |
O2 | HO81 | sing | 0.97Å | 0.95Å | |
N | H | sing | 1.01Å | 1.00Å | |
C22 | H1 | sing | 1.08Å | 1.08Å | |
C | OXT | sing | 1.34Å | 51.45Å | |
OXT | HXT | sing | 0.97Å | 0.00Å | |
C24 | O1 | sing | 1.36Å | 48.67Å | |
O1 | H3 | sing | 0.97Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | N | CA | 123.8° | 111.0° |
N | C1 | H17 | 109.5° | 109.4° |
N | C1 | H17A | 109.5° | 109.5° |
N | C1 | H17B | 109.5° | 109.5° |
C1 | N | H | 104.9° | 111.0° |
N | CA | C19 | 111.2° | 109.5° |
N | CA | C | 109.7° | 109.5° |
N | CA | HA | 107.7° | 109.5° |
CA | N | H | 104.9° | 111.0° |
C19 | CA | C | 108.0° | 109.5° |
CA | C19 | C20 | 118.4° | 119.9° |
CA | C19 | C21 | 122.6° | 120.0° |
C19 | CA | HA | 109.4° | 109.5° |
CA | C | O | 121.0° | 120.0° |
C | CA | HA | 110.9° | 109.4° |
CA | C | OXT | 110.5° | 120.0° |
C20 | C19 | C21 | 119.0° | 120.1° |
C19 | C20 | C22 | 122.2° | 120.1° |
C19 | C20 | H20 | 118.9° | 119.9° |
C19 | C21 | C23 | 119.6° | 120.0° |
C19 | C21 | H21 | 120.2° | 120.0° |
C20 | C22 | C24 | 119.2° | 120.0° |
C22 | C20 | H20 | 118.9° | 119.9° |
C20 | C22 | H1 | 120.4° | 120.0° |
C21 | C23 | C24 | 120.6° | 119.9° |
C21 | C23 | O2 | 118.9° | 120.1° |
C23 | C21 | H21 | 120.2° | 120.0° |
C22 | C24 | C23 | 119.4° | 119.8° |
C24 | C22 | H1 | 120.4° | 120.0° |
C22 | C24 | O1 | 80.2° | 120.1° |
C24 | C23 | O2 | 120.5° | 120.0° |
C23 | C24 | O1 | 159.8° | 120.1° |
C23 | O2 | HO81 | 109.5° | 114.0° |
O | C | OXT | 88.7° | 120.0° |
H17 | C1 | H17A | 109.5° | 109.5° |
H17 | C1 | H17B | 109.5° | 109.4° |
H17A | C1 | H17B | 109.5° | 109.5° |
C | OXT | HXT | 90.0° | 117.0° |
C24 | O1 | H3 | 90.0° | 114.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | N | CA | H | 120.0° | 124.0° |
C1 | N | CA | C19 | 37.5° | 155.0° |
C1 | N | CA | C | 81.9° | 84.9° |
N | C1 | H17 | H17A | 120.0° | 120.0° |
N | C1 | H17 | H17B | 120.0° | 120.0° |
N | C1 | H17A | H17B | 120.0° | 120.1° |
C1 | N | CA | HA | 157.3° | 35.0° |
N | CA | C19 | C | 120.4° | 120.1° |
N | CA | C19 | HA | 118.8° | 120.0° |
N | CA | C | HA | 118.8° | 120.0° |
N | CA | C19 | C20 | 114.2° | 40.0° |
N | CA | C19 | C21 | 66.0° | 140.2° |
N | CA | C | O | 21.3° | 0.0° |
CA | N | C1 | H17 | 180.0° | 60.0° |
CA | N | C1 | H17A | 60.0° | 59.9° |
CA | N | C1 | H17B | 60.0° | 180.0° |
N | CA | C | OXT | 122.6° | 180.0° |
C19 | CA | C | HA | 119.9° | 120.0° |
CA | C19 | C20 | C21 | 179.9° | 179.8° |
CA | C19 | C20 | C22 | 179.8° | 179.9° |
CA | C19 | C21 | C23 | 179.9° | 180.0° |
C19 | CA | C | O | 100.1° | 120.0° |
CA | C19 | C20 | H20 | 0.2° | 0.0° |
CA | C19 | C21 | H21 | 0.1° | 0.1° |
C19 | CA | N | H | 157.5° | 31.0° |
C19 | CA | C | OXT | 1.2° | 60.0° |
C | CA | C19 | C20 | 6.2° | 80.0° |
C | CA | C19 | C21 | 173.6° | 99.7° |
CA | C | O | OXT | 113.2° | 180.0° |
C | CA | N | H | 38.1° | 151.1° |
CA | C | OXT | HXT | 90.0° | 180.0° |
C19 | C20 | C22 | H20 | 180.0° | 179.9° |
C20 | C19 | C21 | C23 | 0.1° | 0.2° |
C19 | C20 | C22 | C24 | 0.7° | 0.1° |
C20 | C19 | CA | HA | 127.0° | 160.0° |
C20 | C19 | C21 | H21 | 180.0° | 179.7° |
C19 | C20 | C22 | H1 | 179.3° | 180.0° |
C21 | C19 | C20 | C22 | 0.3° | 0.3° |
C19 | C21 | C23 | H21 | 180.0° | 179.9° |
C19 | C21 | C23 | C24 | 0.2° | 0.1° |
C19 | C21 | C23 | O2 | 179.8° | 180.0° |
C21 | C19 | CA | HA | 52.8° | 20.2° |
C21 | C19 | C20 | H20 | 179.7° | 179.8° |
C20 | C22 | C24 | H1 | 180.0° | 179.9° |
C20 | C22 | C24 | C23 | 0.8° | 0.2° |
C20 | C22 | C24 | O1 | 173.9° | 180.0° |
C21 | C23 | C24 | C22 | 0.5° | 0.3° |
C21 | C23 | C24 | O2 | 180.0° | 179.9° |
C21 | C23 | O2 | HO81 | 180.0° | 90.0° |
C21 | C23 | C24 | O1 | 164.1° | 179.9° |
C22 | C24 | C23 | O1 | 164.6° | 179.7° |
C22 | C24 | C23 | O2 | 179.4° | 179.8° |
C24 | C22 | C20 | H20 | 179.3° | 180.0° |
C22 | C24 | O1 | H3 | 90.0° | 90.0° |
C24 | C23 | C21 | H21 | 179.9° | 180.0° |
C24 | C23 | O2 | HO81 | 0.1° | 90.0° |
C23 | C24 | C22 | H1 | 179.2° | 179.7° |
C23 | C24 | O1 | H3 | 90.0° | 89.7° |
O2 | C23 | C21 | H21 | 0.2° | 0.1° |
O2 | C23 | C24 | O1 | 15.9° | 0.0° |
O | C | CA | HA | 140.1° | 120.0° |
O | C | OXT | HXT | 90.0° | 0.0° |
H17 | C1 | H17A | H17B | 120.0° | 120.0° |
H17 | C1 | N | H | 60.0° | 64.0° |
H17A | C1 | N | H | 60.0° | 176.0° |
H17B | C1 | N | H | 180.0° | 56.0° |
HA | CA | N | H | 82.7° | 89.0° |
HA | CA | C | OXT | 118.6° | 60.0° |
H20 | C20 | C22 | H1 | 0.7° | 0.1° |
H1 | C22 | C24 | O1 | 6.1° | 0.0° |