9AL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.46Å | |
N | H | sing | 1.01Å | 1.00Å | |
CA | C2 | sing | 1.53Å | 1.52Å | |
CA | CB | sing | 1.53Å | 1.52Å | |
CA | H1 | sing | 1.09Å | 1.10Å | |
C2 | O1 | sing | 1.43Å | 1.38Å | |
C2 | C | sing | 1.51Å | 1.55Å | |
CB | H3 | sing | 1.09Å | 1.10Å | |
CB | H4 | sing | 1.09Å | 1.10Å | |
CB | H5 | sing | 1.09Å | 1.10Å | |
C | O | doub | 1.21Å | 1.24Å | |
C | N2 | sing | 1.35Å | 1.33Å | |
N2 | C5 | sing | 1.47Å | 1.47Å | |
N2 | H6 | sing | 0.97Å | 1.00Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | C8 | sing | 1.51Å | 1.51Å | |
C5 | H7 | sing | 1.09Å | 1.10Å | |
C6 | C7 | sing | 1.53Å | 1.53Å | |
C6 | H8 | sing | 1.09Å | 1.10Å | |
C6 | H9 | sing | 1.09Å | 1.10Å | |
C7 | H10 | sing | 1.09Å | 1.10Å | |
C7 | H11 | sing | 1.09Å | 1.10Å | |
C7 | H12 | sing | 1.09Å | 1.10Å | |
C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
C8 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
C9 | H13 | sing | 1.08Å | 1.08Å | |
C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
C10 | H14 | sing | 1.08Å | 1.08Å | |
C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
C11 | H15 | sing | 1.08Å | 1.08Å | |
C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
C12 | H16 | sing | 1.08Å | 1.08Å | |
C13 | H17 | sing | 1.08Å | 1.08Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
C2 | H19 | sing | 1.09Å | 1.10Å | |
O1 | H20 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | H | 109.5° | 111.0° |
N | CA | C2 | 109.2° | 109.5° |
N | CA | CB | 110.4° | 109.5° |
N | CA | H1 | 109.9° | 109.5° |
CA | N | H2 | 109.5° | 111.0° |
H | N | H2 | 109.5° | 111.0° |
C2 | CA | CB | 109.2° | 109.5° |
C2 | CA | H1 | 109.1° | 109.4° |
CA | C2 | O1 | 108.4° | 109.4° |
CA | C2 | C | 109.3° | 109.5° |
CA | C2 | H19 | 108.9° | 109.4° |
CB | CA | H1 | 109.1° | 109.5° |
CA | CB | H3 | 109.5° | 109.5° |
CA | CB | H4 | 109.5° | 109.5° |
CA | CB | H5 | 109.4° | 109.5° |
O1 | C2 | C | 110.9° | 109.5° |
O1 | C2 | H19 | 110.8° | 109.5° |
C2 | O1 | H20 | 109.5° | 114.0° |
C2 | C | O | 120.6° | 120.0° |
C2 | C | N2 | 117.2° | 120.0° |
C | C2 | H19 | 108.5° | 109.5° |
H3 | CB | H4 | 109.5° | 109.5° |
H3 | CB | H5 | 109.5° | 109.4° |
H4 | CB | H5 | 109.5° | 109.4° |
O | C | N2 | 122.2° | 120.0° |
C | N2 | C5 | 123.7° | 120.0° |
C | N2 | H6 | 118.1° | 120.1° |
C5 | N2 | H6 | 118.2° | 120.0° |
N2 | C5 | C6 | 112.1° | 109.5° |
N2 | C5 | C8 | 111.1° | 109.5° |
N2 | C5 | H7 | 108.8° | 109.5° |
C6 | C5 | C8 | 108.2° | 109.5° |
C6 | C5 | H7 | 108.1° | 109.4° |
C5 | C6 | C7 | 110.6° | 109.5° |
C5 | C6 | H8 | 109.2° | 109.5° |
C5 | C6 | H9 | 109.2° | 109.4° |
C8 | C5 | H7 | 108.3° | 109.4° |
C5 | C8 | C9 | 120.4° | 120.0° |
C5 | C8 | C13 | 120.9° | 120.0° |
C7 | C6 | H8 | 109.2° | 109.5° |
C7 | C6 | H9 | 109.2° | 109.4° |
C6 | C7 | H10 | 109.5° | 109.5° |
C6 | C7 | H11 | 109.5° | 109.4° |
C6 | C7 | H12 | 109.5° | 109.5° |
H8 | C6 | H9 | 109.5° | 109.4° |
H10 | C7 | H11 | 109.5° | 109.5° |
H10 | C7 | H12 | 109.5° | 109.4° |
H11 | C7 | H12 | 109.4° | 109.5° |
C9 | C8 | C13 | 118.7° | 120.0° |
C8 | C9 | C10 | 121.1° | 120.0° |
C8 | C9 | H13 | 119.5° | 120.0° |
C8 | C13 | C12 | 120.8° | 120.0° |
C8 | C13 | H17 | 119.6° | 120.0° |
C10 | C9 | H13 | 119.4° | 120.0° |
C9 | C10 | C11 | 119.6° | 120.0° |
C9 | C10 | H14 | 120.2° | 120.0° |
C11 | C10 | H14 | 120.2° | 120.0° |
C10 | C11 | C12 | 119.7° | 120.0° |
C10 | C11 | H15 | 120.1° | 120.0° |
C12 | C11 | H15 | 120.2° | 120.0° |
C11 | C12 | C13 | 120.0° | 120.0° |
C11 | C12 | H16 | 120.0° | 120.0° |
C13 | C12 | H16 | 120.0° | 120.0° |
C12 | C13 | H17 | 119.6° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | H | H2 | 120.0° | 123.9° |
N | CA | C2 | CB | 120.7° | 120.0° |
N | CA | C2 | H1 | 120.1° | 120.0° |
N | CA | CB | H1 | 120.8° | 120.0° |
N | CA | C2 | O1 | 160.0° | 65.0° |
N | CA | C2 | C | 79.0° | 175.0° |
N | CA | CB | H3 | 180.0° | 60.0° |
N | CA | CB | H4 | 60.0° | 180.0° |
N | CA | CB | H5 | 60.0° | 60.0° |
N | CA | C2 | H19 | 39.4° | 55.0° |
H | N | CA | C2 | 180.0° | 56.1° |
H | N | CA | CB | 60.0° | 64.0° |
H | N | CA | H1 | 60.3° | 176.0° |
C2 | CA | CB | H1 | 119.2° | 120.0° |
CA | C2 | O1 | C | 120.1° | 120.0° |
CA | C2 | O1 | H19 | 119.4° | 119.9° |
CA | C2 | C | H19 | 118.6° | 120.0° |
C2 | CA | CB | H3 | 60.0° | 60.0° |
C2 | CA | CB | H4 | 180.0° | 60.0° |
C2 | CA | CB | H5 | 60.0° | 180.0° |
CA | C2 | C | O | 38.1° | 115.0° |
CA | C2 | C | N2 | 141.5° | 65.0° |
C2 | CA | N | H2 | 60.0° | 180.0° |
CA | C2 | O1 | H20 | 180.0° | 60.0° |
CB | CA | C2 | O1 | 39.3° | 55.0° |
CB | CA | C2 | C | 160.3° | 65.0° |
CA | CB | H3 | H4 | 120.0° | 120.0° |
CA | CB | H3 | H5 | 120.0° | 120.0° |
CA | CB | H4 | H5 | 120.0° | 120.0° |
CB | CA | N | H2 | 180.0° | 60.0° |
CB | CA | C2 | H19 | 81.3° | 175.0° |
H1 | CA | C2 | O1 | 79.9° | 175.0° |
H1 | CA | C2 | C | 41.2° | 55.0° |
H1 | CA | CB | H3 | 59.2° | 180.0° |
H1 | CA | CB | H4 | 60.8° | 60.0° |
H1 | CA | CB | H5 | 179.2° | 60.0° |
H1 | CA | N | H2 | 59.7° | 60.0° |
H1 | CA | C2 | H19 | 159.5° | 65.0° |
O1 | C2 | C | H19 | 121.9° | 120.1° |
O1 | C2 | C | O | 157.5° | 5.0° |
O1 | C2 | C | N2 | 22.1° | 175.0° |
C2 | C | O | N2 | 179.6° | 180.0° |
C2 | C | N2 | C5 | 179.7° | 180.0° |
C2 | C | N2 | H6 | 0.3° | 0.1° |
C | C2 | O1 | H20 | 59.9° | 60.0° |
H3 | CB | H4 | H5 | 120.0° | 119.9° |
O | C | N2 | C5 | 0.7° | 0.0° |
O | C | N2 | H6 | 179.3° | 180.0° |
O | C | C2 | H19 | 80.6° | 125.0° |
C | N2 | C5 | H6 | 180.0° | 179.9° |
C | N2 | C5 | C6 | 136.5° | 85.0° |
C | N2 | C5 | C8 | 102.2° | 154.9° |
C | N2 | C5 | H7 | 17.0° | 35.0° |
N2 | C | C2 | H19 | 99.8° | 55.0° |
N2 | C5 | C6 | C8 | 122.9° | 120.1° |
N2 | C5 | C6 | H7 | 120.0° | 120.0° |
N2 | C5 | C8 | H7 | 119.5° | 120.0° |
N2 | C5 | C6 | C7 | 170.3° | 65.0° |
N2 | C5 | C6 | H8 | 69.6° | 175.0° |
N2 | C5 | C6 | H9 | 50.1° | 55.0° |
N2 | C5 | C8 | C9 | 102.5° | 140.0° |
N2 | C5 | C8 | C13 | 80.0° | 39.7° |
H6 | N2 | C5 | C6 | 43.5° | 95.0° |
H6 | N2 | C5 | C8 | 77.8° | 25.0° |
H6 | N2 | C5 | H7 | 163.0° | 145.0° |
C6 | C5 | C8 | H7 | 117.0° | 119.9° |
C5 | C6 | C7 | H8 | 120.2° | 120.1° |
C5 | C6 | C7 | H9 | 120.2° | 120.0° |
C5 | C6 | H8 | H9 | 119.5° | 120.0° |
C5 | C6 | C7 | H10 | 180.0° | 60.0° |
C5 | C6 | C7 | H11 | 60.0° | 60.0° |
C5 | C6 | C7 | H12 | 60.0° | 180.0° |
C6 | C5 | C8 | C9 | 134.0° | 100.0° |
C6 | C5 | C8 | C13 | 43.5° | 80.3° |
C8 | C5 | C6 | C7 | 66.8° | 175.0° |
C8 | C5 | C6 | H8 | 53.3° | 54.9° |
C8 | C5 | C6 | H9 | 173.0° | 65.1° |
C5 | C8 | C9 | C13 | 177.5° | 179.7° |
C5 | C8 | C9 | C10 | 177.2° | 180.0° |
C5 | C8 | C9 | H13 | 2.8° | 0.1° |
C5 | C8 | C13 | C12 | 177.2° | 179.8° |
C5 | C8 | C13 | H17 | 2.7° | 0.0° |
H7 | C5 | C6 | C7 | 50.3° | 55.1° |
H7 | C5 | C6 | H8 | 170.5° | 65.0° |
H7 | C5 | C6 | H9 | 69.9° | 175.0° |
H7 | C5 | C8 | C9 | 17.0° | 19.9° |
H7 | C5 | C8 | C13 | 160.5° | 159.8° |
C7 | C6 | H8 | H9 | 119.5° | 119.9° |
C6 | C7 | H10 | H11 | 120.0° | 120.0° |
C6 | C7 | H10 | H12 | 120.0° | 120.0° |
C6 | C7 | H11 | H12 | 120.0° | 120.0° |
H8 | C6 | C7 | H10 | 59.8° | 179.9° |
H8 | C6 | C7 | H11 | 179.8° | 60.1° |
H8 | C6 | C7 | H12 | 60.2° | 59.9° |
H9 | C6 | C7 | H10 | 59.8° | 60.0° |
H9 | C6 | C7 | H11 | 60.2° | 180.0° |
H9 | C6 | C7 | H12 | 179.9° | 60.0° |
H10 | C7 | H11 | H12 | 120.0° | 120.0° |
C8 | C9 | C10 | H13 | 180.0° | 179.9° |
C8 | C9 | C10 | C11 | 0.1° | 0.0° |
C8 | C9 | C10 | H14 | 179.9° | 179.9° |
C9 | C8 | C13 | C12 | 0.3° | 0.5° |
C9 | C8 | C13 | H17 | 179.7° | 179.7° |
C13 | C8 | C9 | C10 | 0.3° | 0.3° |
C13 | C8 | C9 | H13 | 179.7° | 179.8° |
C8 | C13 | C12 | C11 | 0.1° | 0.5° |
C8 | C13 | C12 | H17 | 180.0° | 179.7° |
C8 | C13 | C12 | H16 | 179.8° | 179.7° |
C9 | C10 | C11 | H14 | 180.0° | 179.9° |
C9 | C10 | C11 | C12 | 0.0° | 0.1° |
C9 | C10 | C11 | H15 | 180.0° | 180.0° |
H13 | C9 | C10 | C11 | 179.9° | 179.9° |
H13 | C9 | C10 | H14 | 0.1° | 0.0° |
C10 | C11 | C12 | H15 | 180.0° | 179.9° |
C10 | C11 | C12 | C13 | 0.0° | 0.1° |
C10 | C11 | C12 | H16 | 180.0° | 180.0° |
H14 | C10 | C11 | C12 | 180.0° | 180.0° |
H14 | C10 | C11 | H15 | 0.0° | 0.1° |
C11 | C12 | C13 | H16 | 180.0° | 179.8° |
C11 | C12 | C13 | H17 | 179.9° | 179.8° |
H15 | C11 | C12 | C13 | 180.0° | 179.8° |
H15 | C11 | C12 | H16 | 0.0° | 0.0° |
H16 | C12 | C13 | H17 | 0.1° | 0.1° |
H19 | C2 | O1 | H20 | 60.6° | 179.9° |