4L0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CD | sing | 1.47Å | 1.47Å | |
N | CA | sing | 1.47Å | 1.46Å | |
N | C41 | sing | 1.35Å | 1.35Å | |
C14 | C13 | sing | 1.53Å | 1.51Å | |
C14 | C15 | sing | 1.53Å | 1.52Å | |
C15 | C16 | sing | 1.53Å | 1.51Å | |
C16 | C17 | sing | 1.53Å | 1.49Å | |
C | O | doub | 1.21Å | 1.23Å | |
C | CA | sing | 1.51Å | 1.53Å | |
CA | CB | sing | 1.54Å | 1.54Å | |
CB | CG | sing | 1.55Å | 1.52Å | |
CD | CG | sing | 1.55Å | 1.52Å | |
C41 | C42 | sing | 1.51Å | 1.50Å | |
C41 | O6 | doub | 1.21Å | 1.22Å | |
CG | O5 | sing | 1.43Å | 1.43Å | |
O5 | C17 | sing | 1.43Å | 1.42Å | |
C13 | C12 | sing | 1.53Å | 1.52Å | |
C14 | H26 | sing | 1.09Å | 1.10Å | |
C14 | H27 | sing | 1.09Å | 1.10Å | |
C15 | H28 | sing | 1.09Å | 1.10Å | |
C15 | H29 | sing | 1.09Å | 1.10Å | |
C16 | H30 | sing | 1.09Å | 1.10Å | |
C16 | H31 | sing | 1.09Å | 1.10Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
CD | HD2 | sing | 1.09Å | 1.10Å | |
CD | HD3 | sing | 1.09Å | 1.10Å | |
C42 | H69 | sing | 1.09Å | 1.10Å | |
C42 | H67 | sing | 1.09Å | 1.10Å | |
C42 | H68 | sing | 1.09Å | 1.10Å | |
CG | HG2 | sing | 1.09Å | 1.10Å | |
C17 | H32 | sing | 1.09Å | 1.10Å | |
C17 | H33 | sing | 1.09Å | 1.10Å | |
C13 | H24 | sing | 1.09Å | 1.10Å | |
C13 | H25 | sing | 1.09Å | 1.10Å | |
C12 | H22 | sing | 1.09Å | 1.10Å | |
C12 | H23 | sing | 1.09Å | 1.10Å | |
C | OXT | sing | 1.34Å | 1.34Å | |
OXT | HXT | sing | 0.97Å | 0.95Å | |
C12 | H21 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CD | N | CA | 112.1° | 108.7° |
CD | N | C41 | 125.9° | 125.6° |
N | CD | CG | 101.8° | 104.9° |
N | CD | HD2 | 111.4° | 110.3° |
N | CD | HD3 | 111.4° | 110.4° |
CA | N | C41 | 122.0° | 125.7° |
N | CA | C | 113.1° | 109.9° |
N | CA | CB | 103.0° | 107.3° |
N | CA | HA | 111.1° | 109.8° |
N | C41 | C42 | 117.4° | 120.0° |
N | C41 | O6 | 120.3° | 120.0° |
C13 | C14 | C15 | 113.0° | 109.4° |
C14 | C13 | C12 | 112.6° | 109.4° |
C13 | C14 | H26 | 108.6° | 109.5° |
C13 | C14 | H27 | 108.6° | 109.5° |
C14 | C13 | H24 | 108.7° | 109.5° |
C14 | C13 | H25 | 108.7° | 109.5° |
C14 | C15 | C16 | 111.3° | 109.4° |
C15 | C14 | H26 | 108.5° | 109.5° |
C15 | C14 | H27 | 108.6° | 109.5° |
C14 | C15 | H28 | 109.0° | 109.5° |
C14 | C15 | H29 | 109.0° | 109.5° |
C15 | C16 | C17 | 115.1° | 109.5° |
C16 | C15 | H28 | 109.0° | 109.5° |
C16 | C15 | H29 | 109.0° | 109.5° |
C15 | C16 | H30 | 108.1° | 109.5° |
C15 | C16 | H31 | 108.1° | 109.5° |
C16 | C17 | O5 | 108.7° | 109.5° |
C17 | C16 | H30 | 108.0° | 109.4° |
C17 | C16 | H31 | 108.1° | 109.4° |
C16 | C17 | H32 | 109.7° | 109.5° |
C16 | C17 | H33 | 109.7° | 109.5° |
O | C | CA | 121.0° | 120.0° |
O | C | OXT | 123.6° | 120.0° |
C | CA | CB | 109.3° | 109.9° |
C | CA | HA | 110.1° | 109.9° |
CA | C | OXT | 115.4° | 120.0° |
CA | CB | CG | 101.7° | 103.0° |
CB | CA | HA | 110.0° | 110.0° |
CA | CB | HB2 | 111.4° | 110.7° |
CA | CB | HB3 | 111.4° | 110.7° |
CB | CG | CD | 102.9° | 101.6° |
CB | CG | O5 | 108.7° | 111.0° |
CG | CB | HB2 | 111.4° | 110.7° |
CG | CB | HB3 | 111.4° | 110.7° |
CB | CG | HG2 | 112.1° | 111.0° |
CD | CG | O5 | 106.7° | 111.0° |
CG | CD | HD2 | 111.3° | 110.4° |
CG | CD | HD3 | 111.4° | 110.4° |
CD | CG | HG2 | 112.1° | 111.0° |
C42 | C41 | O6 | 122.3° | 120.0° |
C41 | C42 | H69 | 109.5° | 109.5° |
C41 | C42 | H67 | 109.5° | 109.5° |
C41 | C42 | H68 | 109.4° | 109.5° |
CG | O5 | C17 | 116.9° | 114.0° |
O5 | CG | HG2 | 113.6° | 111.0° |
O5 | C17 | H32 | 109.6° | 109.5° |
O5 | C17 | H33 | 109.7° | 109.5° |
C12 | C13 | H24 | 108.7° | 109.5° |
C12 | C13 | H25 | 108.7° | 109.5° |
C13 | C12 | H22 | 109.5° | 109.4° |
C13 | C12 | H23 | 109.5° | 109.5° |
C13 | C12 | H21 | 109.5° | 109.4° |
H26 | C14 | H27 | 109.5° | 109.5° |
H28 | C15 | H29 | 109.5° | 109.5° |
H30 | C16 | H31 | 109.5° | 109.5° |
HB2 | CB | HB3 | 109.5° | 110.8° |
HD2 | CD | HD3 | 109.4° | 110.4° |
H69 | C42 | H67 | 109.4° | 109.5° |
H69 | C42 | H68 | 109.5° | 109.5° |
H67 | C42 | H68 | 109.5° | 109.5° |
H32 | C17 | H33 | 109.5° | 109.5° |
H24 | C13 | H25 | 109.5° | 109.5° |
H22 | C12 | H23 | 109.5° | 109.5° |
H22 | C12 | H21 | 109.5° | 109.4° |
H23 | C12 | H21 | 109.5° | 109.5° |
C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CD | N | CA | C41 | 178.6° | 179.7° |
CD | N | CA | C | 127.5° | 118.4° |
CD | N | CA | CB | 9.6° | 1.1° |
N | CD | CG | CB | 36.8° | 37.0° |
N | CD | CG | HD2 | 118.8° | 118.8° |
N | CD | CG | HD3 | 118.8° | 118.9° |
CD | N | C41 | C42 | 1.3° | 0.1° |
CD | N | C41 | O6 | 177.3° | 179.9° |
N | CD | CG | O5 | 77.6° | 81.1° |
CD | N | CA | HA | 108.1° | 120.6° |
N | CD | HD2 | HD3 | 123.6° | 122.3° |
N | CD | CG | HG2 | 157.5° | 155.0° |
N | CA | C | O | 41.1° | 18.6° |
N | CA | C | CB | 114.1° | 117.8° |
N | CA | C | HA | 125.0° | 121.0° |
N | CA | CB | HA | 118.5° | 119.4° |
N | CA | CB | CG | 32.1° | 22.2° |
CA | N | CD | CG | 16.8° | 24.1° |
CA | N | C41 | C42 | 179.7° | 179.7° |
CA | N | C41 | O6 | 1.1° | 0.3° |
N | CA | CB | HB2 | 86.6° | 140.6° |
N | CA | CB | HB3 | 150.9° | 96.2° |
CA | N | CD | HD2 | 135.6° | 94.8° |
CA | N | CD | HD3 | 102.0° | 143.0° |
N | CA | C | OXT | 140.1° | 161.4° |
C41 | N | CA | C | 53.9° | 61.9° |
C41 | N | CA | CB | 171.8° | 178.6° |
C41 | N | CD | CG | 161.7° | 155.6° |
N | C41 | C42 | O6 | 178.6° | 180.0° |
C41 | N | CA | HA | 70.5° | 59.1° |
C41 | N | CD | HD2 | 42.9° | 85.6° |
C41 | N | CD | HD3 | 79.5° | 36.7° |
N | C41 | C42 | H69 | 178.6° | 0.0° |
N | C41 | C42 | H67 | 61.4° | 120.0° |
N | C41 | C42 | H68 | 58.6° | 120.0° |
C13 | C14 | C15 | H26 | 120.5° | 120.0° |
C13 | C14 | C15 | H27 | 120.5° | 120.0° |
C13 | C14 | C15 | C16 | 169.6° | 180.0° |
C14 | C13 | C12 | H24 | 120.5° | 120.0° |
C14 | C13 | C12 | H25 | 120.5° | 120.0° |
C13 | C14 | H26 | H27 | 118.4° | 120.0° |
C13 | C14 | C15 | H28 | 49.3° | 60.0° |
C13 | C14 | C15 | H29 | 70.1° | 60.0° |
C14 | C13 | H24 | H25 | 118.6° | 120.0° |
C14 | C13 | C12 | H22 | 180.0° | 60.1° |
C14 | C13 | C12 | H23 | 60.0° | 60.0° |
C14 | C13 | C12 | H21 | 60.0° | 180.0° |
C14 | C15 | C16 | H28 | 120.2° | 120.0° |
C14 | C15 | C16 | H29 | 120.3° | 120.0° |
C14 | C15 | C16 | C17 | 171.1° | 180.0° |
C15 | C14 | C13 | C12 | 172.7° | 180.0° |
C15 | C14 | H26 | H27 | 118.4° | 120.0° |
C14 | C15 | H28 | H29 | 119.2° | 120.0° |
C14 | C15 | C16 | H30 | 50.3° | 60.0° |
C14 | C15 | C16 | H31 | 68.1° | 60.0° |
C15 | C14 | C13 | H24 | 52.3° | 60.0° |
C15 | C14 | C13 | H25 | 66.8° | 60.0° |
C15 | C16 | C17 | H30 | 120.8° | 120.1° |
C15 | C16 | C17 | H31 | 120.8° | 120.0° |
C15 | C16 | C17 | O5 | 67.4° | 180.0° |
C16 | C15 | C14 | H26 | 69.9° | 60.0° |
C16 | C15 | C14 | H27 | 49.0° | 60.0° |
C16 | C15 | H28 | H29 | 119.2° | 120.0° |
C15 | C16 | H30 | H31 | 117.5° | 120.1° |
C15 | C16 | C17 | H32 | 172.8° | 60.0° |
C15 | C16 | C17 | H33 | 52.5° | 60.0° |
C16 | C17 | O5 | CG | 76.7° | 180.0° |
C16 | C17 | O5 | H32 | 119.9° | 120.0° |
C16 | C17 | O5 | H33 | 119.9° | 120.0° |
C17 | C16 | C15 | H28 | 68.6° | 60.0° |
C17 | C16 | C15 | H29 | 50.8° | 60.0° |
C17 | C16 | H30 | H31 | 117.5° | 119.9° |
C16 | C17 | H32 | H33 | 120.4° | 120.0° |
O | C | CA | OXT | 178.8° | 180.0° |
O | C | CA | CB | 72.9° | 99.3° |
O | C | CA | HA | 166.1° | 139.5° |
O | C | OXT | HXT | 0.0° | 0.0° |
C | CA | CB | HA | 121.0° | 121.1° |
C | CA | CB | CG | 152.6° | 141.6° |
C | CA | CB | HB2 | 33.8° | 100.0° |
C | CA | CB | HB3 | 88.7° | 23.2° |
CA | C | OXT | HXT | 178.8° | 180.0° |
CA | CB | CG | HB2 | 118.8° | 118.4° |
CA | CB | CG | HB3 | 118.8° | 118.3° |
CA | CB | CG | CD | 43.1° | 35.5° |
CA | CB | CG | O5 | 69.8° | 82.6° |
CA | CB | HB2 | HB3 | 123.6° | 123.2° |
CA | CB | CG | HG2 | 163.8° | 153.5° |
CB | CA | C | OXT | 105.9° | 80.7° |
CB | CG | CD | O5 | 114.4° | 118.1° |
CB | CG | CD | HG2 | 120.7° | 118.1° |
CB | CG | O5 | HG2 | 125.6° | 124.0° |
CB | CG | O5 | C17 | 108.7° | 150.0° |
CG | CB | CA | HA | 86.4° | 97.3° |
CG | CB | HB2 | HB3 | 123.6° | 123.3° |
CB | CG | CD | HD2 | 155.6° | 81.9° |
CB | CG | CD | HD3 | 82.0° | 155.9° |
CD | CG | O5 | HG2 | 124.1° | 123.9° |
CD | CG | O5 | C17 | 140.9° | 97.8° |
CD | CG | CB | HB2 | 75.7° | 153.8° |
CD | CG | CB | HB3 | 161.8° | 82.9° |
CG | CD | HD2 | HD3 | 123.6° | 122.3° |
C41 | C42 | H69 | H67 | 120.0° | 120.0° |
C41 | C42 | H69 | H68 | 120.0° | 120.0° |
C41 | C42 | H67 | H68 | 120.0° | 120.0° |
O6 | C41 | C42 | H69 | 0.0° | 180.0° |
O6 | C41 | C42 | H67 | 120.0° | 60.0° |
O6 | C41 | C42 | H68 | 120.0° | 60.0° |
O5 | CG | CB | HB2 | 171.4° | 35.8° |
O5 | CG | CB | HB3 | 49.0° | 159.1° |
O5 | CG | CD | HD2 | 41.2° | 160.1° |
O5 | CG | CD | HD3 | 163.7° | 37.8° |
CG | O5 | C17 | H32 | 43.2° | 60.0° |
CG | O5 | C17 | H33 | 163.4° | 60.0° |
O5 | C17 | C16 | H30 | 53.4° | 59.9° |
O5 | C17 | C16 | H31 | 171.8° | 60.0° |
C17 | O5 | CG | HG2 | 16.9° | 26.0° |
O5 | C17 | H32 | H33 | 120.3° | 120.0° |
C12 | C13 | C14 | H26 | 52.2° | 60.0° |
C12 | C13 | C14 | H27 | 66.7° | 60.0° |
C12 | C13 | H24 | H25 | 118.6° | 120.0° |
C13 | C12 | H22 | H23 | 120.0° | 120.0° |
C13 | C12 | H22 | H21 | 120.0° | 119.9° |
C13 | C12 | H23 | H21 | 120.0° | 120.0° |
H26 | C14 | C15 | H28 | 169.9° | 179.9° |
H26 | C14 | C15 | H29 | 50.4° | 60.0° |
H26 | C14 | C13 | H24 | 68.3° | 60.0° |
H26 | C14 | C13 | H25 | 172.7° | 179.9° |
H27 | C14 | C15 | H28 | 71.2° | 59.9° |
H27 | C14 | C15 | H29 | 169.3° | 180.0° |
H27 | C14 | C13 | H24 | 172.8° | 180.0° |
H27 | C14 | C13 | H25 | 53.7° | 59.9° |
H28 | C15 | C16 | H30 | 170.6° | 180.0° |
H28 | C15 | C16 | H31 | 52.2° | 59.9° |
H29 | C15 | C16 | H30 | 70.0° | 60.0° |
H29 | C15 | C16 | H31 | 171.7° | 180.0° |
H30 | C16 | C17 | H32 | 66.4° | 179.9° |
H30 | C16 | C17 | H33 | 173.3° | 60.1° |
H31 | C16 | C17 | H32 | 52.0° | 60.0° |
H31 | C16 | C17 | H33 | 68.3° | 180.0° |
HA | CA | CB | HB2 | 154.9° | 21.1° |
HA | CA | CB | HB3 | 32.4° | 144.4° |
HA | CA | C | OXT | 15.1° | 40.5° |
HB2 | CB | CG | HG2 | 45.0° | 88.1° |
HB3 | CB | CG | HG2 | 77.5° | 35.2° |
HD2 | CD | CG | HG2 | 83.8° | 36.2° |
HD3 | CD | CG | HG2 | 38.7° | 86.1° |
H69 | C42 | H67 | H68 | 120.0° | 120.0° |
H24 | C13 | C12 | H22 | 59.5° | 179.9° |
H24 | C13 | C12 | H23 | 179.5° | 60.0° |
H24 | C13 | C12 | H21 | 60.5° | 60.0° |
H25 | C13 | C12 | H22 | 59.5° | 59.9° |
H25 | C13 | C12 | H23 | 60.5° | 180.0° |
H25 | C13 | C12 | H21 | 179.5° | 60.0° |
H22 | C12 | H23 | H21 | 120.0° | 120.0° |