OZT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C2 | sing | 1.46Å | 1.42Å | |
O1 | C5 | sing | 1.34Å | 1.49Å | |
C2 | CA | sing | 1.54Å | 1.48Å | |
C2 | C7 | sing | 1.53Å | 1.48Å | |
C2 | H20 | sing | 1.09Å | 1.10Å | |
CA | N | sing | 1.47Å | 1.47Å | |
CA | C | sing | 1.51Å | 1.55Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
N | C5 | sing | 1.34Å | 1.38Å | |
N | H | sing | 0.97Å | 1.00Å | |
C5 | O6 | doub | 1.22Å | 1.22Å | |
C7 | H17 | sing | 1.09Å | 1.10Å | |
C7 | H27 | sing | 1.09Å | 1.10Å | |
C7 | H37 | sing | 1.09Å | 1.10Å | |
C | O | doub | 1.21Å | 1.23Å | |
C | OXT | sing | 1.34Å | 1.43Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | O1 | C5 | 99.7° | 109.5° |
O1 | C2 | CA | 108.9° | 104.0° |
O1 | C2 | C7 | 110.0° | 110.6° |
O1 | C2 | H20 | 109.3° | 110.5° |
O1 | C5 | N | 117.9° | 113.9° |
O1 | C5 | O6 | 121.5° | 123.1° |
CA | C2 | C7 | 109.1° | 110.5° |
CA | C2 | H20 | 110.3° | 110.5° |
C2 | CA | N | 107.3° | 103.8° |
C2 | CA | C | 107.6° | 110.6° |
C2 | CA | HA | 112.5° | 110.6° |
C7 | C2 | H20 | 109.2° | 110.6° |
C2 | C7 | H17 | 109.5° | 109.5° |
C2 | C7 | H27 | 109.5° | 109.5° |
C2 | C7 | H37 | 109.5° | 109.5° |
N | CA | C | 110.8° | 110.5° |
N | CA | HA | 109.4° | 110.6° |
CA | N | C5 | 99.8° | 108.9° |
CA | N | H | 130.1° | 125.6° |
C | CA | HA | 109.1° | 110.6° |
CA | C | O | 119.6° | 120.0° |
CA | C | OXT | 120.2° | 120.0° |
C5 | N | H | 130.1° | 125.5° |
N | C5 | O6 | 120.4° | 123.1° |
H17 | C7 | H27 | 109.4° | 109.4° |
H17 | C7 | H37 | 109.4° | 109.5° |
H27 | C7 | H37 | 109.5° | 109.5° |
O | C | OXT | 120.2° | 120.0° |
C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C2 | CA | C7 | 120.1° | 118.7° |
O1 | C2 | CA | H20 | 120.0° | 118.6° |
O1 | C2 | C7 | H20 | 120.0° | 122.7° |
O1 | C2 | CA | N | 26.2° | 0.0° |
O1 | C2 | CA | C | 93.1° | 118.5° |
O1 | C2 | CA | HA | 146.6° | 118.6° |
C2 | O1 | C5 | N | 0.0° | 0.1° |
C2 | O1 | C5 | O6 | 173.5° | 179.9° |
O1 | C2 | C7 | H17 | 98.3° | 61.5° |
O1 | C2 | C7 | H27 | 141.7° | 178.6° |
O1 | C2 | C7 | H37 | 21.7° | 58.5° |
C5 | O1 | C2 | CA | 15.6° | 0.1° |
C5 | O1 | C2 | C7 | 103.9° | 118.6° |
C5 | O1 | C2 | H20 | 136.2° | 118.7° |
O1 | C5 | N | CA | 15.0° | 0.1° |
O1 | C5 | N | O6 | 173.6° | 179.8° |
O1 | C5 | N | H | 165.0° | 179.9° |
CA | C2 | C7 | H20 | 120.6° | 122.7° |
C2 | CA | N | C | 117.2° | 118.5° |
C2 | CA | N | HA | 122.4° | 118.6° |
C2 | CA | C | HA | 122.4° | 122.8° |
C2 | CA | N | C5 | 23.5° | 0.1° |
C2 | CA | N | H | 156.5° | 179.9° |
CA | C2 | C7 | H17 | 142.3° | 176.1° |
CA | C2 | C7 | H27 | 22.3° | 64.0° |
CA | C2 | C7 | H37 | 97.7° | 56.1° |
C2 | CA | C | O | 75.1° | 100.0° |
C2 | CA | C | OXT | 104.9° | 80.0° |
C7 | C2 | CA | N | 93.9° | 118.7° |
C7 | C2 | CA | C | 146.8° | 122.8° |
C7 | C2 | CA | HA | 26.5° | 0.1° |
C2 | C7 | H17 | H27 | 120.0° | 120.0° |
C2 | C7 | H17 | H37 | 120.0° | 120.0° |
C2 | C7 | H27 | H37 | 120.0° | 120.0° |
H20 | C2 | CA | N | 146.2° | 118.6° |
H20 | C2 | CA | C | 26.9° | 0.1° |
H20 | C2 | CA | HA | 93.4° | 122.8° |
H20 | C2 | C7 | H17 | 21.7° | 61.3° |
H20 | C2 | C7 | H27 | 98.3° | 58.7° |
H20 | C2 | C7 | H37 | 141.7° | 178.7° |
N | CA | C | HA | 120.6° | 122.9° |
CA | N | C5 | H | 180.0° | 179.8° |
CA | N | C5 | O6 | 171.4° | 179.9° |
N | CA | C | O | 41.9° | 14.3° |
N | CA | C | OXT | 138.1° | 165.7° |
C | CA | N | C5 | 93.7° | 118.6° |
C | CA | N | H | 86.3° | 61.6° |
CA | C | O | OXT | 180.0° | 180.0° |
CA | C | OXT | HXT | 180.0° | 180.0° |
HA | CA | N | C5 | 145.9° | 118.5° |
HA | CA | N | H | 34.1° | 61.3° |
HA | CA | C | O | 162.5° | 137.2° |
HA | CA | C | OXT | 17.5° | 42.8° |
H | N | C5 | O6 | 8.6° | 0.2° |
H17 | C7 | H27 | H37 | 119.9° | 120.0° |
O | C | OXT | HXT | 0.0° | 0.0° |