0UO
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 | 1.55Å | |
CA | C9 | sing | 1.53Å | 1.55Å | |
CA | N | sing | 1.47Å | 1.47Å | |
C9 | C10 | sing | 1.51Å | 1.50Å | |
C11 | C10 | doub | 1.34Å | 1.35Å | Aromatic |
C11 | N6 | sing | 1.37Å | 1.37Å | Aromatic |
C10 | C18 | sing | 1.46Å | 1.47Å | Aromatic |
N6 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
C18 | C13 | doub | 1.40Å | 1.44Å | Aromatic |
C18 | C17 | sing | 1.40Å | 1.44Å | Aromatic |
C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
O3 | C17 | sing | 1.36Å | 1.38Å | |
O3 | C19 | sing | 1.43Å | 1.43Å | |
C17 | C16 | doub | 1.38Å | 1.44Å | Aromatic |
C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
C16 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
C11 | H7 | sing | 1.08Å | 1.08Å | |
C14 | H8 | sing | 1.08Å | 1.08Å | |
C15 | H9 | sing | 1.08Å | 1.08Å | |
C16 | H10 | sing | 1.08Å | 1.08Å | |
C19 | H11 | sing | 1.09Å | 1.10Å | |
C19 | H12 | sing | 1.09Å | 1.10Å | |
C19 | H13 | sing | 1.09Å | 1.10Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
C9 | H29 | sing | 1.09Å | 1.10Å | |
C9 | H30 | sing | 1.09Å | 1.10Å | |
N | H | sing | 1.01Å | 1.00Å | |
N6 | H41 | sing | 0.97Å | 1.00Å | |
C | OXT | sing | 1.34Å | 63.95Å | |
OXT | HXT | sing | 0.97Å | 0.00Å | |
N | H2 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | CA | 119.9° | 120.0° |
O | C | OXT | 91.2° | 120.0° |
C | CA | C9 | 113.9° | 109.5° |
C | CA | N | 114.4° | 109.5° |
C | CA | HA | 106.4° | 109.5° |
CA | C | OXT | 88.4° | 120.0° |
C9 | CA | N | 108.1° | 109.5° |
CA | C9 | C10 | 115.1° | 109.5° |
C9 | CA | HA | 106.3° | 109.4° |
CA | C9 | H29 | 108.0° | 109.5° |
CA | C9 | H30 | 108.0° | 109.5° |
N | CA | HA | 107.3° | 109.4° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.0° |
C9 | C10 | C11 | 121.8° | 126.5° |
C9 | C10 | C18 | 131.5° | 126.6° |
C10 | C9 | H29 | 108.0° | 109.4° |
C10 | C9 | H30 | 108.0° | 109.5° |
C10 | C11 | N6 | 110.3° | 109.9° |
C11 | C10 | C18 | 106.5° | 107.0° |
C10 | C11 | H7 | 124.8° | 125.1° |
C11 | N6 | C13 | 111.1° | 109.9° |
N6 | C11 | H7 | 124.9° | 125.0° |
C11 | N6 | H41 | 124.5° | 125.1° |
C10 | C18 | C13 | 106.6° | 106.2° |
C10 | C18 | C17 | 137.0° | 133.9° |
N6 | C13 | C18 | 105.5° | 107.1° |
N6 | C13 | C14 | 131.5° | 133.4° |
C13 | N6 | H41 | 124.4° | 125.1° |
C13 | C18 | C17 | 116.4° | 119.9° |
C18 | C13 | C14 | 123.0° | 119.5° |
C18 | C17 | O3 | 118.1° | 120.3° |
C18 | C17 | C16 | 119.6° | 119.5° |
C13 | C14 | C15 | 120.0° | 120.0° |
C13 | C14 | H8 | 120.0° | 120.0° |
C17 | O3 | C19 | 119.9° | 117.0° |
O3 | C17 | C16 | 122.3° | 120.2° |
O3 | C19 | H11 | 109.5° | 109.4° |
O3 | C19 | H12 | 109.5° | 109.5° |
O3 | C19 | H13 | 109.5° | 109.5° |
C17 | C16 | C15 | 121.9° | 120.3° |
C17 | C16 | H10 | 119.1° | 119.8° |
C14 | C15 | C16 | 119.1° | 120.7° |
C15 | C14 | H8 | 120.0° | 120.0° |
C14 | C15 | H9 | 120.4° | 119.6° |
C16 | C15 | H9 | 120.5° | 119.7° |
C15 | C16 | H10 | 119.0° | 119.9° |
H11 | C19 | H12 | 109.5° | 109.4° |
H11 | C19 | H13 | 109.5° | 109.5° |
H12 | C19 | H13 | 109.5° | 109.5° |
H29 | C9 | H30 | 109.5° | 109.4° |
H | N | H2 | 109.5° | 110.9° |
C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | CA | OXT | 90.5° | 180.0° |
O | C | CA | C9 | 82.9° | 100.0° |
O | C | CA | N | 152.1° | 20.0° |
O | C | CA | HA | 33.8° | 140.0° |
O | C | OXT | HXT | 90.0° | 0.1° |
C | CA | C9 | N | 128.3° | 120.0° |
C | CA | C9 | HA | 116.8° | 120.1° |
C | CA | N | HA | 117.7° | 120.0° |
C | CA | C9 | C10 | 58.3° | 175.0° |
C | CA | C9 | H29 | 62.5° | 65.0° |
C | CA | C9 | H30 | 179.1° | 55.0° |
C | CA | N | H | 180.0° | 60.0° |
CA | C | OXT | HXT | 90.0° | 180.0° |
C | CA | N | H2 | 60.0° | 176.1° |
C9 | CA | N | HA | 114.3° | 119.9° |
CA | C9 | C10 | H29 | 120.8° | 120.0° |
CA | C9 | C10 | H30 | 120.8° | 120.0° |
CA | C9 | C10 | C11 | 88.7° | 94.9° |
CA | C9 | C10 | C18 | 85.5° | 85.0° |
CA | C9 | H29 | H30 | 117.4° | 120.0° |
C9 | CA | N | H | 52.0° | 60.0° |
C9 | CA | C | OXT | 7.5° | 80.0° |
C9 | CA | N | H2 | 172.0° | 63.9° |
N | CA | C9 | C10 | 70.0° | 65.0° |
N | CA | C9 | H29 | 169.2° | 55.0° |
N | CA | C9 | H30 | 50.9° | 175.0° |
CA | N | H | H2 | 120.0° | 124.0° |
N | CA | C | OXT | 117.5° | 160.0° |
C9 | C10 | C11 | C18 | 175.5° | 179.9° |
C9 | C10 | C11 | N6 | 175.4° | 180.0° |
C9 | C10 | C18 | C13 | 175.4° | 180.0° |
C9 | C10 | C18 | C17 | 6.9° | 0.1° |
C9 | C10 | C11 | H7 | 4.6° | 0.3° |
C10 | C9 | CA | HA | 175.1° | 55.0° |
C10 | C9 | H29 | H30 | 117.4° | 120.0° |
C10 | C11 | N6 | H7 | 180.0° | 179.7° |
C10 | C11 | N6 | C13 | 0.7° | 0.0° |
C11 | C10 | C18 | C13 | 0.5° | 0.0° |
C11 | C10 | C18 | C17 | 178.3° | 179.9° |
C11 | C10 | C9 | H29 | 32.1° | 145.1° |
C11 | C10 | C9 | H30 | 150.5° | 25.1° |
C10 | C11 | N6 | H41 | 179.3° | 180.0° |
N6 | C11 | C10 | C18 | 0.1° | 0.1° |
C11 | N6 | C13 | H41 | 180.0° | 179.9° |
C11 | N6 | C13 | C18 | 1.0° | 0.0° |
C11 | N6 | C13 | C14 | 179.8° | 180.0° |
C10 | C18 | C13 | N6 | 0.9° | 0.0° |
C10 | C18 | C13 | C17 | 178.3° | 179.9° |
C10 | C18 | C13 | C14 | 179.8° | 180.0° |
C10 | C18 | C17 | O3 | 2.0° | 0.1° |
C10 | C18 | C17 | C16 | 179.9° | 179.9° |
C18 | C10 | C11 | H7 | 179.9° | 179.7° |
C18 | C10 | C9 | H29 | 153.7° | 35.0° |
C18 | C10 | C9 | H30 | 35.4° | 155.0° |
N6 | C13 | C18 | C14 | 179.3° | 180.0° |
N6 | C13 | C18 | C17 | 179.2° | 179.9° |
N6 | C13 | C14 | C15 | 179.4° | 179.9° |
C13 | N6 | C11 | H7 | 179.3° | 179.7° |
N6 | C13 | C14 | H8 | 0.6° | 0.0° |
C13 | C18 | C17 | O3 | 179.5° | 180.0° |
C13 | C18 | C17 | C16 | 2.3° | 0.1° |
C18 | C13 | C14 | C15 | 0.4° | 0.0° |
C18 | C13 | C14 | H8 | 179.6° | 180.0° |
C18 | C13 | N6 | H41 | 179.0° | 180.0° |
C17 | C18 | C13 | C14 | 1.5° | 0.1° |
C18 | C17 | O3 | C16 | 178.1° | 179.9° |
C18 | C17 | O3 | C19 | 176.3° | 180.0° |
C18 | C17 | C16 | C15 | 2.0° | 0.1° |
C18 | C17 | C16 | H10 | 178.0° | 179.9° |
C13 | C14 | C15 | H8 | 180.0° | 180.0° |
C13 | C14 | C15 | C16 | 0.1° | 0.0° |
C13 | C14 | C15 | H9 | 180.0° | 180.0° |
C14 | C13 | N6 | H41 | 0.2° | 0.1° |
O3 | C17 | C16 | C15 | 179.9° | 180.0° |
O3 | C17 | C16 | H10 | 0.1° | 0.1° |
C17 | O3 | C19 | H11 | 180.0° | 179.9° |
C17 | O3 | C19 | H12 | 60.0° | 60.0° |
C17 | O3 | C19 | H13 | 60.0° | 60.1° |
C19 | O3 | C17 | C16 | 1.8° | 0.1° |
O3 | C19 | H11 | H12 | 120.0° | 120.0° |
O3 | C19 | H11 | H13 | 120.0° | 120.0° |
O3 | C19 | H12 | H13 | 120.0° | 120.0° |
C17 | C16 | C15 | C14 | 0.8° | 0.1° |
C17 | C16 | C15 | H10 | 180.0° | 179.9° |
C17 | C16 | C15 | H9 | 179.2° | 180.0° |
C14 | C15 | C16 | H9 | 180.0° | 180.0° |
C14 | C15 | C16 | H10 | 179.2° | 179.9° |
C16 | C15 | C14 | H8 | 180.0° | 180.0° |
H7 | C11 | N6 | H41 | 0.7° | 0.3° |
H8 | C14 | C15 | H9 | 0.0° | 0.0° |
H9 | C15 | C16 | H10 | 0.8° | 0.1° |
H11 | C19 | H12 | H13 | 120.0° | 120.0° |
HA | CA | C9 | H29 | 54.3° | 174.9° |
HA | CA | C9 | H30 | 64.1° | 65.1° |
HA | CA | N | H | 62.3° | 179.9° |
HA | CA | C | OXT | 124.3° | 40.0° |
HA | CA | N | H2 | 57.7° | 56.0° |