1OL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C3 | sing | 1.53Å | 1.52Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H20 | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | H4 | sing | 1.09Å | 1.10Å | |
C2 | H5 | sing | 1.09Å | 1.10Å | |
C2 | H6 | sing | 1.09Å | 1.10Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | H7 | sing | 1.09Å | 1.10Å | |
C4 | CA | sing | 1.53Å | 1.54Å | |
C4 | H8 | sing | 1.09Å | 1.10Å | |
C4 | H9 | sing | 1.09Å | 1.10Å | |
N | CA | sing | 1.47Å | 1.46Å | |
N | H | sing | 1.01Å | 1.00Å | |
CA | C6 | sing | 1.53Å | 1.55Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
C6 | O1 | sing | 1.43Å | 1.43Å | |
C6 | H12 | sing | 1.09Å | 1.10Å | |
C6 | C7 | sing | 1.53Å | 1.53Å | |
O1 | H13 | sing | 0.97Å | 0.95Å | |
C7 | C8 | sing | 1.53Å | 1.53Å | |
C7 | H14 | sing | 1.09Å | 1.10Å | |
C7 | H15 | sing | 1.09Å | 1.10Å | |
C8 | C9 | sing | 1.53Å | 1.53Å | |
C8 | C | sing | 1.51Å | 1.52Å | |
C8 | H16 | sing | 1.09Å | 1.10Å | |
C9 | H17 | sing | 1.09Å | 1.10Å | |
C9 | H18 | sing | 1.09Å | 1.10Å | |
C9 | H19 | sing | 1.09Å | 1.10Å | |
C | O | doub | 1.21Å | 1.23Å | |
C | OXT | sing | 1.34Å | 1.33Å | |
OXT | HXT | sing | 0.97Å | 0.95Å | |
N | H2 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C3 | C1 | H1 | 109.5° | 109.5° |
C3 | C1 | H20 | 109.5° | 109.5° |
C3 | C1 | H3 | 109.5° | 109.5° |
C1 | C3 | C2 | 110.1° | 109.5° |
C1 | C3 | C4 | 110.5° | 109.5° |
C1 | C3 | H7 | 108.4° | 109.4° |
H1 | C1 | H20 | 109.4° | 109.5° |
H1 | C1 | H3 | 109.5° | 109.4° |
H20 | C1 | H3 | 109.5° | 109.4° |
C3 | C2 | H4 | 109.5° | 109.5° |
C3 | C2 | H5 | 109.5° | 109.4° |
C3 | C2 | H6 | 109.5° | 109.4° |
C2 | C3 | C4 | 109.8° | 109.5° |
C2 | C3 | H7 | 109.1° | 109.5° |
H4 | C2 | H5 | 109.5° | 109.5° |
H4 | C2 | H6 | 109.5° | 109.5° |
H5 | C2 | H6 | 109.5° | 109.5° |
C4 | C3 | H7 | 108.8° | 109.4° |
C3 | C4 | CA | 113.9° | 109.5° |
C3 | C4 | H8 | 108.0° | 109.5° |
C3 | C4 | H9 | 108.0° | 109.5° |
CA | C4 | H8 | 108.0° | 109.5° |
CA | C4 | H9 | 108.0° | 109.4° |
C4 | CA | N | 109.1° | 109.5° |
C4 | CA | C6 | 111.2° | 109.5° |
C4 | CA | HA | 110.0° | 109.5° |
H8 | C4 | H9 | 110.9° | 109.5° |
CA | N | H | 109.5° | 111.0° |
N | CA | C6 | 113.4° | 109.4° |
N | CA | HA | 107.6° | 109.5° |
CA | N | H2 | 109.4° | 111.0° |
H | N | H2 | 109.5° | 111.0° |
C6 | CA | HA | 105.4° | 109.5° |
CA | C6 | O1 | 110.7° | 109.4° |
CA | C6 | H12 | 107.9° | 109.4° |
CA | C6 | C7 | 110.6° | 109.5° |
O1 | C6 | H12 | 109.0° | 109.5° |
O1 | C6 | C7 | 109.5° | 109.5° |
C6 | O1 | H13 | 109.5° | 114.0° |
H12 | C6 | C7 | 109.1° | 109.5° |
C6 | C7 | C8 | 116.8° | 109.5° |
C6 | C7 | H14 | 107.1° | 109.5° |
C6 | C7 | H15 | 107.1° | 109.4° |
C8 | C7 | H14 | 107.1° | 109.5° |
C8 | C7 | H15 | 107.1° | 109.5° |
C7 | C8 | C9 | 109.5° | 109.5° |
C7 | C8 | C | 109.4° | 109.5° |
C7 | C8 | H16 | 109.7° | 109.4° |
H14 | C7 | H15 | 111.7° | 109.5° |
C9 | C8 | C | 110.0° | 109.5° |
C9 | C8 | H16 | 109.1° | 109.4° |
C8 | C9 | H17 | 109.5° | 109.5° |
C8 | C9 | H18 | 109.5° | 109.5° |
C8 | C9 | H19 | 109.5° | 109.5° |
C | C8 | H16 | 109.2° | 109.5° |
C8 | C | O | 120.6° | 120.0° |
C8 | C | OXT | 117.2° | 120.0° |
H17 | C9 | H18 | 109.4° | 109.5° |
H17 | C9 | H19 | 109.5° | 109.5° |
H18 | C9 | H19 | 109.5° | 109.5° |
O | C | OXT | 122.2° | 120.0° |
C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C3 | C1 | H1 | H20 | 120.0° | 120.1° |
C3 | C1 | H1 | H3 | 120.0° | 120.0° |
C3 | C1 | H20 | H3 | 120.0° | 120.0° |
C1 | C3 | C2 | C4 | 121.9° | 120.0° |
C1 | C3 | C2 | H7 | 118.9° | 120.0° |
C1 | C3 | C2 | H4 | 180.0° | 60.0° |
C1 | C3 | C2 | H5 | 60.0° | 60.0° |
C1 | C3 | C2 | H6 | 60.0° | 180.0° |
C1 | C3 | C4 | H7 | 118.9° | 119.9° |
C1 | C3 | C4 | CA | 165.9° | 175.0° |
C1 | C3 | C4 | H8 | 74.1° | 65.0° |
C1 | C3 | C4 | H9 | 45.9° | 55.0° |
H1 | C1 | H20 | H3 | 120.0° | 120.0° |
H1 | C1 | C3 | C2 | 180.0° | 60.0° |
H1 | C1 | C3 | C4 | 58.5° | 180.0° |
H1 | C1 | C3 | H7 | 60.7° | 60.1° |
H20 | C1 | C3 | C2 | 60.0° | 180.0° |
H20 | C1 | C3 | C4 | 61.5° | 60.0° |
H20 | C1 | C3 | H7 | 179.4° | 60.0° |
H3 | C1 | C3 | C2 | 60.0° | 60.0° |
H3 | C1 | C3 | C4 | 178.5° | 60.0° |
H3 | C1 | C3 | H7 | 59.4° | 180.0° |
C3 | C2 | H4 | H5 | 120.0° | 120.0° |
C3 | C2 | H4 | H6 | 120.0° | 120.0° |
C3 | C2 | H5 | H6 | 120.0° | 119.9° |
C2 | C3 | C4 | H7 | 119.4° | 120.0° |
C2 | C3 | C4 | CA | 72.4° | 65.0° |
C2 | C3 | C4 | H8 | 47.6° | 55.0° |
C2 | C3 | C4 | H9 | 167.6° | 175.0° |
H4 | C2 | H5 | H6 | 120.0° | 120.1° |
H4 | C2 | C3 | C4 | 58.1° | 180.0° |
H4 | C2 | C3 | H7 | 61.1° | 60.0° |
H5 | C2 | C3 | C4 | 178.0° | 60.0° |
H5 | C2 | C3 | H7 | 58.9° | 180.0° |
H6 | C2 | C3 | C4 | 61.9° | 60.0° |
H6 | C2 | C3 | H7 | 178.9° | 60.0° |
C3 | C4 | CA | H8 | 120.0° | 120.0° |
C3 | C4 | CA | H9 | 120.0° | 120.0° |
C3 | C4 | H8 | H9 | 118.2° | 120.0° |
C3 | C4 | CA | N | 55.0° | 65.0° |
C3 | C4 | CA | C6 | 179.2° | 175.0° |
C3 | C4 | CA | HA | 62.8° | 55.0° |
H7 | C3 | C4 | CA | 47.0° | 55.0° |
H7 | C3 | C4 | H8 | 167.0° | 175.0° |
H7 | C3 | C4 | H9 | 73.0° | 65.0° |
CA | C4 | H8 | H9 | 118.2° | 120.0° |
C4 | CA | N | C6 | 124.5° | 120.1° |
C4 | CA | N | HA | 119.3° | 120.0° |
C4 | CA | N | H | 180.0° | 176.0° |
C4 | CA | C6 | HA | 119.2° | 120.0° |
C4 | CA | C6 | O1 | 59.2° | 60.0° |
C4 | CA | C6 | H12 | 59.9° | 60.0° |
C4 | CA | C6 | C7 | 179.2° | 180.0° |
C4 | CA | N | H2 | 60.0° | 60.0° |
H8 | C4 | CA | N | 175.0° | 175.0° |
H8 | C4 | CA | C6 | 59.2° | 55.0° |
H8 | C4 | CA | HA | 57.2° | 65.0° |
H9 | C4 | CA | N | 65.0° | 55.0° |
H9 | C4 | CA | C6 | 60.8° | 65.0° |
H9 | C4 | CA | HA | 177.2° | 175.0° |
CA | N | H | H2 | 120.0° | 124.0° |
N | CA | C6 | HA | 117.5° | 119.9° |
N | CA | C6 | O1 | 64.1° | 60.1° |
N | CA | C6 | H12 | 176.7° | 180.0° |
N | CA | C6 | C7 | 57.5° | 60.0° |
H | N | CA | C6 | 55.5° | 64.0° |
H | N | CA | HA | 60.7° | 56.0° |
CA | C6 | O1 | H12 | 118.5° | 119.9° |
CA | C6 | O1 | C7 | 122.3° | 120.0° |
CA | C6 | H12 | C7 | 120.2° | 120.0° |
CA | C6 | O1 | H13 | 180.0° | 60.1° |
CA | C6 | C7 | C8 | 146.4° | 174.5° |
CA | C6 | C7 | H14 | 93.6° | 65.5° |
CA | C6 | C7 | H15 | 26.4° | 54.5° |
C6 | CA | N | H2 | 64.5° | 60.1° |
HA | CA | C6 | O1 | 178.4° | 180.0° |
HA | CA | C6 | H12 | 59.2° | 60.0° |
HA | CA | C6 | C7 | 60.0° | 60.0° |
HA | CA | N | H2 | 179.3° | 180.0° |
O1 | C6 | H12 | C7 | 119.5° | 120.0° |
O1 | C6 | C7 | C8 | 91.3° | 65.5° |
O1 | C6 | C7 | H14 | 28.7° | 54.5° |
O1 | C6 | C7 | H15 | 148.7° | 174.5° |
H12 | C6 | O1 | H13 | 61.5° | 180.0° |
H12 | C6 | C7 | C8 | 27.9° | 54.5° |
H12 | C6 | C7 | H14 | 147.9° | 174.5° |
H12 | C6 | C7 | H15 | 92.1° | 65.5° |
C7 | C6 | O1 | H13 | 57.7° | 60.0° |
C6 | C7 | C8 | H14 | 120.0° | 120.0° |
C6 | C7 | C8 | H15 | 120.0° | 119.9° |
C6 | C7 | H14 | H15 | 117.0° | 119.9° |
C6 | C7 | C8 | C9 | 155.3° | 173.5° |
C6 | C7 | C8 | C | 84.1° | 66.5° |
C6 | C7 | C8 | H16 | 35.7° | 53.5° |
C8 | C7 | H14 | H15 | 117.0° | 120.0° |
C7 | C8 | C9 | C | 120.2° | 120.0° |
C7 | C8 | C9 | H16 | 120.0° | 119.9° |
C7 | C8 | C | H16 | 120.1° | 120.0° |
C7 | C8 | C9 | H17 | 180.0° | 179.8° |
C7 | C8 | C9 | H18 | 60.0° | 60.2° |
C7 | C8 | C9 | H19 | 60.0° | 59.8° |
C7 | C8 | C | O | 46.8° | 0.0° |
C7 | C8 | C | OXT | 132.7° | 180.0° |
H14 | C7 | C8 | C9 | 35.3° | 53.4° |
H14 | C7 | C8 | C | 155.9° | 173.4° |
H14 | C7 | C8 | H16 | 84.4° | 66.5° |
H15 | C7 | C8 | C9 | 84.7° | 66.6° |
H15 | C7 | C8 | C | 35.9° | 53.4° |
H15 | C7 | C8 | H16 | 155.7° | 173.5° |
C9 | C8 | C | H16 | 119.7° | 120.0° |
C8 | C9 | H17 | H18 | 120.0° | 120.0° |
C8 | C9 | H17 | H19 | 120.0° | 120.0° |
C8 | C9 | H18 | H19 | 120.0° | 120.0° |
C9 | C8 | C | O | 73.4° | 120.0° |
C9 | C8 | C | OXT | 107.1° | 60.0° |
C | C8 | C9 | H17 | 59.8° | 59.8° |
C | C8 | C9 | H18 | 179.8° | 179.8° |
C | C8 | C9 | H19 | 60.2° | 60.2° |
C8 | C | O | OXT | 179.5° | 179.9° |
C8 | C | OXT | HXT | 179.5° | 180.0° |
H16 | C8 | C9 | H17 | 59.9° | 60.3° |
H16 | C8 | C9 | H18 | 60.0° | 59.7° |
H16 | C8 | C9 | H19 | 179.9° | 179.7° |
H16 | C8 | C | O | 166.9° | 120.0° |
H16 | C8 | C | OXT | 12.6° | 60.0° |
H17 | C9 | H18 | H19 | 120.0° | 120.0° |
O | C | OXT | HXT | 0.0° | 0.1° |