0LF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C | doub | 1.21Å | 1.22Å | |
C | CA | sing | 1.51Å | 1.51Å | |
CA | CB | sing | 1.54Å | 1.54Å | |
CA | N | sing | 1.48Å | 1.46Å | |
CB | CG | sing | 1.55Å | 1.55Å | |
C29 | C30 | sing | 1.53Å | 1.52Å | |
C29 | C28 | sing | 1.53Å | 1.54Å | |
C27 | C28 | sing | 1.53Å | 1.52Å | |
C27 | O26 | sing | 1.43Å | 1.41Å | |
CG | O26 | sing | 1.43Å | 1.41Å | |
CG | CD | sing | 1.55Å | 1.51Å | |
C30 | C31 | sing | 1.51Å | 1.48Å | |
N | CD | sing | 1.48Å | 1.46Å | |
C36 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
C36 | C35 | sing | 1.38Å | 1.37Å | Aromatic |
C31 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
C35 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
C32 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
CA | HA | sing | 1.09Å | 1.10Å | |
CD | H33 | sing | 1.09Å | 1.10Å | |
CD | H32 | sing | 1.09Å | 1.10Å | |
CG | H34 | sing | 1.09Å | 1.10Å | |
CB | H36 | sing | 1.09Å | 1.10Å | |
CB | H35 | sing | 1.09Å | 1.10Å | |
C27 | H44 | sing | 1.09Å | 1.10Å | |
C27 | H43 | sing | 1.09Å | 1.10Å | |
C28 | H46 | sing | 1.09Å | 1.10Å | |
C28 | H45 | sing | 1.09Å | 1.10Å | |
C29 | H48 | sing | 1.09Å | 1.10Å | |
C29 | H47 | sing | 1.09Å | 1.10Å | |
C30 | H49 | sing | 1.09Å | 1.10Å | |
C30 | H50 | sing | 1.09Å | 1.10Å | |
C32 | H51 | sing | 1.08Å | 1.08Å | |
C33 | H52 | sing | 1.08Å | 1.08Å | |
C34 | H53 | sing | 1.08Å | 1.08Å | |
C35 | H54 | sing | 1.08Å | 1.08Å | |
C36 | H55 | sing | 1.08Å | 1.08Å | |
C | OXT | sing | 1.34Å | 32.24Å | |
OXT | HXT | sing | 0.97Å | 0.00Å | |
N | H | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | CA | 123.3° | 120.0° |
O | C | OXT | 109.9° | 120.0° |
C | CA | CB | 112.6° | 109.9° |
C | CA | N | 107.2° | 109.9° |
C | CA | HA | 110.2° | 110.1° |
CA | C | OXT | 115.7° | 120.0° |
CB | CA | N | 106.2° | 107.0° |
CA | CB | CG | 101.2° | 105.2° |
CB | CA | HA | 109.8° | 109.9° |
CA | CB | H36 | 111.5° | 110.3° |
CA | CB | H35 | 111.5° | 110.3° |
CA | N | CD | 110.7° | 105.8° |
N | CA | HA | 110.8° | 109.9° |
CA | N | H | 109.1° | 111.0° |
CB | CG | O26 | 114.8° | 110.7° |
CB | CG | CD | 103.7° | 102.9° |
CB | CG | H34 | 109.0° | 110.9° |
CG | CB | H36 | 111.5° | 110.3° |
CG | CB | H35 | 111.5° | 110.3° |
C30 | C29 | C28 | 110.8° | 109.5° |
C29 | C30 | C31 | 109.4° | 109.5° |
C30 | C29 | H48 | 109.1° | 109.5° |
C30 | C29 | H47 | 109.1° | 109.5° |
C29 | C30 | H49 | 109.5° | 109.4° |
C29 | C30 | H50 | 109.5° | 109.5° |
C29 | C28 | C27 | 108.8° | 109.5° |
C29 | C28 | H46 | 109.6° | 109.5° |
C29 | C28 | H45 | 109.6° | 109.5° |
C28 | C29 | H48 | 109.1° | 109.4° |
C28 | C29 | H47 | 109.2° | 109.4° |
C28 | C27 | O26 | 110.1° | 109.5° |
C28 | C27 | H44 | 109.3° | 109.5° |
C28 | C27 | H43 | 109.3° | 109.4° |
C27 | C28 | H46 | 109.6° | 109.4° |
C27 | C28 | H45 | 109.6° | 109.4° |
C27 | O26 | CG | 117.0° | 114.0° |
O26 | C27 | H44 | 109.3° | 109.5° |
O26 | C27 | H43 | 109.3° | 109.5° |
O26 | CG | CD | 108.6° | 110.7° |
O26 | CG | H34 | 111.0° | 110.6° |
CG | CD | N | 102.4° | 103.2° |
CG | CD | H33 | 111.2° | 110.7° |
CG | CD | H32 | 111.2° | 110.8° |
CD | CG | H34 | 109.5° | 110.7° |
C30 | C31 | C36 | 117.3° | 120.0° |
C30 | C31 | C32 | 120.5° | 120.1° |
C31 | C30 | H49 | 109.5° | 109.5° |
C31 | C30 | H50 | 109.5° | 109.5° |
N | CD | H33 | 111.2° | 110.7° |
N | CD | H32 | 111.2° | 110.7° |
CD | N | H | 109.2° | 111.0° |
C31 | C36 | C35 | 118.5° | 120.0° |
C36 | C31 | C32 | 122.2° | 120.0° |
C31 | C36 | H55 | 120.7° | 120.0° |
C36 | C35 | C34 | 120.9° | 120.0° |
C36 | C35 | H54 | 119.6° | 120.0° |
C35 | C36 | H55 | 120.7° | 120.0° |
C31 | C32 | C33 | 118.1° | 120.0° |
C31 | C32 | H51 | 121.0° | 120.0° |
C35 | C34 | C33 | 120.8° | 120.0° |
C35 | C34 | H53 | 119.6° | 120.0° |
C34 | C35 | H54 | 119.5° | 120.0° |
C32 | C33 | C34 | 119.5° | 120.0° |
C33 | C32 | H51 | 121.0° | 120.0° |
C32 | C33 | H52 | 120.3° | 120.0° |
C34 | C33 | H52 | 120.2° | 120.0° |
C33 | C34 | H53 | 119.6° | 120.0° |
H33 | CD | H32 | 109.5° | 110.6° |
H36 | CB | H35 | 109.5° | 110.4° |
H44 | C27 | H43 | 109.5° | 109.5° |
H46 | C28 | H45 | 109.5° | 109.5° |
H48 | C29 | H47 | 109.5° | 109.5° |
H49 | C30 | H50 | 109.5° | 109.4° |
C | OXT | HXT | 90.0° | 117.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | CA | OXT | 140.3° | 179.9° |
O | C | CA | CB | 79.8° | 100.0° |
O | C | CA | N | 36.7° | 17.5° |
O | C | CA | HA | 157.3° | 138.8° |
O | C | OXT | HXT | 90.0° | 0.1° |
C | CA | CB | N | 117.0° | 119.3° |
C | CA | CB | HA | 123.1° | 121.3° |
C | CA | N | HA | 120.2° | 121.3° |
C | CA | CB | CG | 94.4° | 120.6° |
C | CA | N | CD | 121.4° | 144.7° |
C | CA | CB | H36 | 24.2° | 1.7° |
C | CA | CB | H35 | 146.9° | 120.5° |
CA | C | OXT | HXT | 90.0° | 180.0° |
C | CA | N | H | 118.4° | 94.9° |
CB | CA | N | HA | 119.2° | 119.4° |
CA | CB | CG | H36 | 118.7° | 118.9° |
CA | CB | CG | H35 | 118.6° | 118.9° |
CA | CB | CG | O26 | 155.7° | 140.3° |
CA | CB | CG | CD | 37.4° | 21.9° |
CB | CA | N | CD | 0.8° | 25.4° |
CA | CB | CG | H34 | 79.1° | 96.5° |
CA | CB | H36 | H35 | 123.9° | 122.1° |
CB | CA | C | OXT | 60.5° | 80.1° |
CB | CA | N | H | 121.0° | 145.8° |
N | CA | CB | CG | 22.6° | 1.3° |
CA | N | CD | CG | 24.6° | 39.2° |
CA | N | CD | H | 120.2° | 120.5° |
CA | N | CD | H33 | 143.4° | 79.2° |
CA | N | CD | H32 | 94.3° | 157.8° |
N | CA | CB | H36 | 141.2° | 117.7° |
N | CA | CB | H35 | 96.1° | 120.2° |
N | CA | C | OXT | 176.9° | 162.4° |
CB | CG | O26 | C27 | 61.6° | 155.0° |
CB | CG | O26 | CD | 115.5° | 113.5° |
CB | CG | O26 | H34 | 124.1° | 123.3° |
CB | CG | CD | H34 | 116.2° | 118.5° |
CB | CG | CD | N | 38.3° | 37.4° |
CG | CB | CA | HA | 142.5° | 118.1° |
CB | CG | CD | H33 | 157.2° | 81.1° |
CB | CG | CD | H32 | 80.6° | 155.9° |
CG | CB | H36 | H35 | 123.9° | 122.1° |
C30 | C29 | C28 | H48 | 120.2° | 120.0° |
C30 | C29 | C28 | H47 | 120.2° | 120.1° |
C30 | C29 | C28 | C27 | 170.8° | 180.0° |
C29 | C30 | C31 | H49 | 120.0° | 120.0° |
C29 | C30 | C31 | H50 | 120.0° | 120.0° |
C29 | C30 | C31 | C36 | 74.4° | 90.3° |
C29 | C30 | C31 | C32 | 105.7° | 90.0° |
C30 | C29 | C28 | H46 | 50.9° | 60.1° |
C30 | C29 | C28 | H45 | 69.3° | 60.0° |
C30 | C29 | H48 | H47 | 119.4° | 120.1° |
C29 | C30 | H49 | H50 | 120.0° | 120.0° |
C29 | C28 | C27 | H46 | 119.9° | 120.0° |
C29 | C28 | C27 | H45 | 119.9° | 120.0° |
C29 | C28 | C27 | O26 | 176.1° | 180.0° |
C28 | C29 | C30 | C31 | 74.2° | 180.0° |
C29 | C28 | C27 | H44 | 56.0° | 60.0° |
C29 | C28 | C27 | H43 | 63.8° | 60.0° |
C29 | C28 | H46 | H45 | 120.3° | 120.0° |
C28 | C29 | H48 | H47 | 119.4° | 119.9° |
C28 | C29 | C30 | H49 | 45.7° | 60.0° |
C28 | C29 | C30 | H50 | 165.8° | 60.0° |
C28 | C27 | O26 | H44 | 120.1° | 120.0° |
C28 | C27 | O26 | H43 | 120.1° | 120.0° |
C28 | C27 | O26 | CG | 173.8° | 180.0° |
C28 | C27 | H44 | H43 | 119.7° | 119.9° |
C27 | C28 | H46 | H45 | 120.3° | 120.0° |
C27 | C28 | C29 | H48 | 69.0° | 60.0° |
C27 | C28 | C29 | H47 | 50.6° | 60.0° |
C27 | O26 | CG | CD | 177.1° | 91.5° |
C27 | O26 | CG | H34 | 62.5° | 31.7° |
O26 | C27 | H44 | H43 | 119.8° | 120.0° |
O26 | C27 | C28 | H46 | 64.0° | 60.0° |
O26 | C27 | C28 | H45 | 56.2° | 60.0° |
O26 | CG | CD | H34 | 121.3° | 123.1° |
O26 | CG | CD | N | 160.8° | 155.8° |
O26 | CG | CD | H33 | 80.4° | 37.3° |
O26 | CG | CD | H32 | 41.9° | 85.7° |
O26 | CG | CB | H36 | 85.6° | 100.8° |
O26 | CG | CB | H35 | 37.1° | 21.4° |
CG | O26 | C27 | H44 | 66.1° | 60.0° |
CG | O26 | C27 | H43 | 53.8° | 60.0° |
CG | CD | N | H33 | 118.9° | 118.5° |
CG | CD | N | H32 | 118.8° | 118.6° |
CG | CD | H33 | H32 | 123.3° | 123.2° |
CD | CG | CB | H36 | 156.1° | 140.9° |
CD | CG | CB | H35 | 81.2° | 97.0° |
CG | CD | N | H | 144.7° | 159.7° |
C30 | C31 | C36 | C32 | 180.0° | 179.7° |
C30 | C31 | C36 | C35 | 178.8° | 179.8° |
C30 | C31 | C32 | C33 | 178.6° | 180.0° |
C31 | C30 | C29 | H48 | 45.9° | 60.1° |
C31 | C30 | C29 | H47 | 165.5° | 60.0° |
C31 | C30 | H49 | H50 | 120.0° | 120.0° |
C30 | C31 | C32 | H51 | 1.4° | 0.1° |
C30 | C31 | C36 | H55 | 1.2° | 0.0° |
CD | N | CA | HA | 118.3° | 94.0° |
N | CD | H33 | H32 | 123.3° | 123.0° |
N | CD | CG | H34 | 77.9° | 81.1° |
C31 | C36 | C35 | H55 | 180.0° | 179.8° |
C31 | C36 | C35 | C34 | 0.8° | 0.5° |
C36 | C31 | C32 | C33 | 1.5° | 0.3° |
C36 | C31 | C30 | H49 | 165.7° | 149.7° |
C36 | C31 | C30 | H50 | 45.6° | 29.7° |
C36 | C31 | C32 | H51 | 178.5° | 179.8° |
C31 | C36 | C35 | H54 | 179.2° | 179.7° |
C35 | C36 | C31 | C32 | 1.2° | 0.6° |
C36 | C35 | C34 | H54 | 180.0° | 179.8° |
C36 | C35 | C34 | C33 | 0.7° | 0.2° |
C36 | C35 | C34 | H53 | 179.3° | 179.8° |
C31 | C32 | C33 | H51 | 180.0° | 179.9° |
C31 | C32 | C33 | C34 | 1.3° | 0.1° |
C32 | C31 | C30 | H49 | 14.3° | 30.0° |
C32 | C31 | C30 | H50 | 134.3° | 150.0° |
C31 | C32 | C33 | H52 | 178.7° | 180.0° |
C32 | C31 | C36 | H55 | 178.8° | 179.7° |
C35 | C34 | C33 | C32 | 0.9° | 0.0° |
C35 | C34 | C33 | H53 | 180.0° | 180.0° |
C35 | C34 | C33 | H52 | 179.1° | 180.0° |
C34 | C35 | C36 | H55 | 179.2° | 179.7° |
C32 | C33 | C34 | H52 | 180.0° | 180.0° |
C32 | C33 | C34 | H53 | 179.1° | 180.0° |
C34 | C33 | C32 | H51 | 178.7° | 180.0° |
C33 | C34 | C35 | H54 | 179.3° | 180.0° |
HA | CA | CB | H36 | 98.9° | 122.9° |
HA | CA | CB | H35 | 23.8° | 0.8° |
HA | CA | C | OXT | 62.4° | 41.1° |
HA | CA | N | H | 1.8° | 26.4° |
H33 | CD | CG | H34 | 41.0° | 160.4° |
H33 | CD | N | H | 96.4° | 41.2° |
H32 | CD | CG | H34 | 163.3° | 37.4° |
H32 | CD | N | H | 25.9° | 81.7° |
H34 | CG | CB | H36 | 39.6° | 22.4° |
H34 | CG | CB | H35 | 162.3° | 144.6° |
H44 | C27 | C28 | H46 | 175.9° | 180.0° |
H44 | C27 | C28 | H45 | 63.9° | 60.0° |
H43 | C27 | C28 | H46 | 56.1° | 60.0° |
H43 | C27 | C28 | H45 | 176.3° | NaN° |
H46 | C28 | C29 | H48 | 171.1° | 179.9° |
H46 | C28 | C29 | H47 | 69.3° | 60.0° |
H45 | C28 | C29 | H48 | 50.9° | 60.0° |
H45 | C28 | C29 | H47 | 170.5° | 179.9° |
H48 | C29 | C30 | H49 | 165.9° | 180.0° |
H48 | C29 | C30 | H50 | 74.1° | 60.0° |
H47 | C29 | C30 | H49 | 74.5° | 60.0° |
H47 | C29 | C30 | H50 | 45.6° | 180.0° |
H51 | C32 | C33 | H52 | 1.3° | 0.1° |
H52 | C33 | C34 | H53 | 0.9° | 0.0° |
H53 | C34 | C35 | H54 | 0.6° | 0.0° |
H54 | C35 | C36 | H55 | 0.8° | 0.1° |