V7P
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C7 | N6 | doub | 1.31Å | 1.35Å | Aromatic |
C7 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
N6 | C5 | sing | 1.34Å | 1.35Å | Aromatic |
C8 | C9 | doub | 1.37Å | 1.39Å | Aromatic |
C5 | C4 | doub | 1.41Å | 1.39Å | Aromatic |
C5 | C10 | sing | 1.42Å | 1.41Å | Aromatic |
C9 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
C9 | CB | sing | 1.51Å | 1.49Å | |
C4 | C3 | sing | 1.36Å | 1.40Å | Aromatic |
C10 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
CB | CA | sing | 1.53Å | 1.52Å | |
CA | C | sing | 1.51Å | 1.54Å | |
CA | N | sing | 1.47Å | 1.46Å | |
C3 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
C11 | C2 | sing | 1.36Å | 1.39Å | Aromatic |
C | O | doub | 1.21Å | 1.23Å | |
C2 | F1 | sing | 1.35Å | 1.34Å | |
C3 | H1 | sing | 1.08Å | 1.08Å | |
C4 | H7 | sing | 1.08Å | 1.08Å | |
C7 | H3 | sing | 1.08Å | 1.08Å | |
C8 | H4 | sing | 1.08Å | 1.08Å | |
C11 | H5 | sing | 1.08Å | 1.08Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | H11 | sing | 1.09Å | 1.10Å | |
CB | H12 | sing | 1.09Å | 1.10Å | |
C | OXT | sing | 1.34Å | 32.34Å | |
OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N6 | C7 | C8 | 123.8° | 121.7° |
C7 | N6 | C5 | 118.1° | 121.3° |
N6 | C7 | H3 | 118.1° | 119.1° |
C7 | C8 | C9 | 118.4° | 120.0° |
C8 | C7 | H3 | 118.1° | 119.2° |
C7 | C8 | H4 | 120.8° | 120.0° |
N6 | C5 | C4 | 119.3° | 121.0° |
N6 | C5 | C10 | 122.1° | 119.9° |
C8 | C9 | C10 | 119.5° | 118.1° |
C8 | C9 | CB | 119.1° | 120.9° |
C9 | C8 | H4 | 120.8° | 120.0° |
C4 | C5 | C10 | 118.6° | 119.1° |
C5 | C4 | C3 | 121.4° | 119.8° |
C5 | C4 | H7 | 119.3° | 120.1° |
C5 | C10 | C9 | 118.1° | 119.0° |
C5 | C10 | C11 | 120.0° | 119.6° |
C10 | C9 | CB | 121.4° | 121.0° |
C9 | C10 | C11 | 121.9° | 121.4° |
C9 | CB | CA | 109.4° | 109.5° |
C9 | CB | H11 | 109.5° | 109.5° |
C9 | CB | H12 | 109.5° | 109.4° |
C4 | C3 | C2 | 119.5° | 121.0° |
C4 | C3 | H1 | 120.3° | 119.5° |
C3 | C4 | H7 | 119.3° | 120.1° |
C10 | C11 | C2 | 119.8° | 119.6° |
C10 | C11 | H5 | 120.1° | 120.2° |
CB | CA | C | 111.1° | 109.5° |
CB | CA | N | 107.0° | 109.5° |
CB | CA | HA | 109.8° | 109.5° |
CA | CB | H11 | 109.5° | 109.5° |
CA | CB | H12 | 109.5° | 109.5° |
C | CA | N | 108.8° | 109.5° |
CA | C | O | 118.5° | 119.9° |
C | CA | HA | 109.5° | 109.4° |
CA | C | OXT | 124.8° | 120.0° |
CA | N | H | 109.5° | 111.1° |
CA | N | H2 | 109.5° | 111.0° |
N | CA | HA | 110.7° | 109.5° |
C3 | C2 | C11 | 120.7° | 120.8° |
C3 | C2 | F1 | 119.0° | 119.6° |
C2 | C3 | H1 | 120.2° | 119.4° |
C11 | C2 | F1 | 120.3° | 119.6° |
C2 | C11 | H5 | 120.1° | 120.2° |
O | C | OXT | 29.4° | 120.1° |
H | N | H2 | 109.5° | 111.0° |
H11 | CB | H12 | 109.5° | 109.4° |
C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N6 | C7 | C8 | H3 | 180.0° | 180.0° |
N6 | C7 | C8 | C9 | 0.3° | 0.0° |
C7 | N6 | C5 | C4 | 179.1° | 180.0° |
C7 | N6 | C5 | C10 | 1.4° | 0.0° |
N6 | C7 | C8 | H4 | 179.7° | 180.0° |
C8 | C7 | N6 | C5 | 0.9° | 0.0° |
C7 | C8 | C9 | H4 | 180.0° | 180.0° |
C7 | C8 | C9 | C10 | 0.9° | 0.1° |
C7 | C8 | C9 | CB | 178.5° | 180.0° |
N6 | C5 | C4 | C10 | 179.6° | 180.0° |
N6 | C5 | C10 | C9 | 0.8° | 0.1° |
N6 | C5 | C4 | C3 | 179.8° | 180.0° |
N6 | C5 | C10 | C11 | 179.2° | 179.8° |
N6 | C5 | C4 | H7 | 0.2° | 0.0° |
C5 | N6 | C7 | H3 | 179.1° | 180.0° |
C8 | C9 | C10 | C5 | 0.4° | 0.1° |
C8 | C9 | C10 | CB | 179.4° | 179.9° |
C8 | C9 | C10 | C11 | 179.7° | 179.7° |
C8 | C9 | CB | CA | 79.9° | 95.1° |
C9 | C8 | C7 | H3 | 179.7° | 179.9° |
C8 | C9 | CB | H11 | 40.1° | 25.0° |
C8 | C9 | CB | H12 | 160.1° | 145.0° |
C4 | C5 | C10 | C9 | 179.7° | 180.0° |
C5 | C4 | C3 | H7 | 180.0° | 180.0° |
C4 | C5 | C10 | C11 | 0.4° | 0.2° |
C5 | C4 | C3 | C2 | 0.6° | 0.0° |
C5 | C4 | C3 | H1 | 179.4° | 180.0° |
C5 | C10 | C9 | C11 | 179.9° | 179.8° |
C5 | C10 | C9 | CB | 179.0° | 180.0° |
C10 | C5 | C4 | C3 | 0.2° | 0.0° |
C5 | C10 | C11 | C2 | 0.6° | 0.5° |
C10 | C5 | C4 | H7 | 179.8° | 180.0° |
C5 | C10 | C11 | H5 | 179.4° | 180.0° |
C10 | C9 | CB | CA | 99.5° | 85.1° |
C9 | C10 | C11 | C2 | 179.5° | 179.7° |
C10 | C9 | C8 | H4 | 179.1° | 179.9° |
C9 | C10 | C11 | H5 | 0.5° | 0.2° |
C10 | C9 | CB | H11 | 140.5° | 154.8° |
C10 | C9 | CB | H12 | 20.5° | 34.9° |
CB | C9 | C10 | C11 | 0.9° | 0.2° |
C9 | CB | CA | H11 | 120.0° | 120.1° |
C9 | CB | CA | H12 | 120.0° | 120.0° |
C9 | CB | CA | C | 174.5° | 175.0° |
C9 | CB | CA | N | 66.9° | 64.9° |
CB | C9 | C8 | H4 | 1.4° | 0.1° |
C9 | CB | CA | HA | 53.2° | 55.1° |
C9 | CB | H11 | H12 | 120.0° | 119.9° |
C4 | C3 | C2 | H1 | 180.0° | 179.9° |
C4 | C3 | C2 | C11 | 0.4° | 0.3° |
C4 | C3 | C2 | F1 | 179.2° | 180.0° |
C10 | C11 | C2 | C3 | 0.2° | 0.5° |
C10 | C11 | C2 | H5 | 180.0° | 179.5° |
C10 | C11 | C2 | F1 | 179.7° | 179.8° |
CB | CA | C | N | 117.5° | 120.1° |
CB | CA | C | HA | 121.4° | 120.0° |
CB | CA | N | HA | 119.5° | 120.0° |
CB | CA | C | O | 89.2° | 100.1° |
CB | CA | N | H | 180.0° | 176.0° |
CB | CA | N | H2 | 60.0° | 60.0° |
CA | CB | H11 | H12 | 120.0° | 120.0° |
CB | CA | C | OXT | 123.2° | 80.0° |
C | CA | N | HA | 120.4° | 119.9° |
CA | C | O | OXT | 111.0° | 180.0° |
C | CA | N | H | 59.9° | 63.9° |
C | CA | N | H2 | 60.1° | 60.0° |
C | CA | CB | H11 | 54.5° | 54.9° |
C | CA | CB | H12 | 65.5° | 65.1° |
CA | C | OXT | HXT | 90.0° | 180.0° |
N | CA | C | O | 28.3° | 20.0° |
CA | N | H | H2 | 120.0° | 124.0° |
N | CA | CB | H11 | 173.1° | 175.0° |
N | CA | CB | H12 | 53.1° | 55.0° |
N | CA | C | OXT | 5.7° | 160.0° |
C3 | C2 | C11 | F1 | 179.6° | 179.7° |
C2 | C3 | C4 | H7 | 179.4° | 180.0° |
C3 | C2 | C11 | H5 | 179.8° | 180.0° |
C11 | C2 | C3 | H1 | 179.6° | 179.8° |
O | C | CA | HA | 149.3° | 140.0° |
O | C | OXT | HXT | 90.0° | 0.0° |
F1 | C2 | C3 | H1 | 0.8° | 0.1° |
F1 | C2 | C11 | H5 | 0.3° | 0.2° |
H1 | C3 | C4 | H7 | 0.6° | 0.0° |
H3 | C7 | C8 | H4 | 0.2° | 0.0° |
H | N | CA | HA | 60.5° | 56.0° |
H2 | N | CA | HA | 179.6° | 180.0° |
HA | CA | CB | H11 | 66.8° | 65.0° |
HA | CA | CB | H12 | 173.2° | 175.0° |
HA | CA | C | OXT | 115.4° | 40.0° |