5L2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.47Å | |
C1 | O5 | sing | 1.43Å | 1.41Å | |
C1 | SBN | sing | 1.81Å | 1.84Å | |
C2 | C3 | sing | 1.53Å | 1.49Å | |
C2 | O2 | sing | 1.43Å | 1.48Å | |
C3 | C4 | sing | 1.53Å | 1.48Å | |
C3 | O3 | sing | 1.43Å | 1.44Å | |
C4 | C5 | sing | 1.53Å | 1.52Å | |
C4 | O4 | sing | 1.43Å | 1.39Å | |
C5 | C6 | sing | 1.53Å | 1.39Å | |
C5 | O5 | sing | 1.43Å | 1.48Å | |
C6 | O6 | sing | 1.45Å | 1.39Å | |
O6 | CAZ | sing | 1.34Å | 1.38Å | |
CAZ | OAG | doub | 1.21Å | 1.16Å | |
CAZ | CAB | sing | 1.51Å | 1.53Å | |
SBN | OAN | doub | 1.42Å | 1.54Å | |
SBN | OAO | doub | 1.42Å | 1.54Å | |
SBN | N | sing | 1.66Å | 1.42Å | |
N | CD1 | sing | 1.47Å | 1.19Å | |
N | CA | sing | 1.47Å | 1.47Å | |
CD1 | CG | sing | 1.55Å | 1.64Å | |
CG | OD2 | sing | 1.43Å | 1.53Å | |
CG | CB | sing | 1.55Å | 1.17Å | |
OD2 | SBM | sing | 1.52Å | 1.69Å | |
SBM | OAL | doub | 1.42Å | 1.51Å | |
SBM | OAM | doub | 1.42Å | 1.54Å | |
SBM | NAF | sing | 1.66Å | 1.60Å | |
CB | CA | sing | 1.54Å | 1.55Å | |
CA | C | sing | 1.51Å | 1.50Å | |
C | O | doub | 1.21Å | 1.13Å | |
C | OAS | sing | 1.34Å | 1.37Å | |
OAS | CAA | sing | 1.45Å | 1.38Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
CAB | H11 | sing | 1.09Å | 1.10Å | |
CAB | H12 | sing | 1.09Å | 1.10Å | |
CAB | H13 | sing | 1.09Å | 1.10Å | |
CD1 | H16 | sing | 1.09Å | 1.10Å | |
CG | H17 | sing | 1.09Å | 1.10Å | |
NAF | H18 | sing | 0.97Å | 1.00Å | |
NAF | H19 | sing | 0.97Å | 1.00Å | |
CB | H20 | sing | 1.09Å | 1.10Å | |
CB | H21 | sing | 1.09Å | 1.10Å | |
CA | H22 | sing | 1.09Å | 1.10Å | |
CAA | H23 | sing | 1.09Å | 1.10Å | |
CAA | H24 | sing | 1.09Å | 1.10Å | |
CAA | H25 | sing | 1.09Å | 1.10Å | |
CD1 | H14 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O5 | 116.7° | 109.4° |
C2 | C1 | SBN | 107.2° | 109.5° |
C1 | C2 | C3 | 113.7° | 109.2° |
C1 | C2 | O2 | 112.1° | 109.5° |
C2 | C1 | H1 | 111.3° | 109.5° |
C1 | C2 | H2 | 105.2° | 109.5° |
O5 | C1 | SBN | 101.3° | 109.5° |
C1 | O5 | C5 | 120.4° | 114.1° |
O5 | C1 | H1 | 112.4° | 109.5° |
C1 | SBN | OAN | 110.1° | 110.6° |
C1 | SBN | OAO | 100.5° | 110.5° |
C1 | SBN | N | 112.7° | 104.4° |
SBN | C1 | H1 | 107.0° | 109.5° |
C3 | C2 | O2 | 114.6° | 109.5° |
C2 | C3 | C4 | 122.7° | 109.0° |
C2 | C3 | O3 | 120.7° | 109.5° |
C3 | C2 | H2 | 104.9° | 109.6° |
C2 | C3 | H3 | 97.3° | 109.6° |
O2 | C2 | H2 | 105.1° | 109.5° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C4 | C3 | O3 | 111.7° | 109.5° |
C3 | C4 | C5 | 113.3° | 109.2° |
C3 | C4 | O4 | 118.3° | 109.6° |
C4 | C3 | H3 | 97.3° | 109.6° |
C3 | C4 | H4 | 100.4° | 109.5° |
O3 | C3 | H3 | 97.5° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C5 | C4 | O4 | 118.5° | 109.6° |
C4 | C5 | C6 | 117.7° | 109.5° |
C4 | C5 | O5 | 118.2° | 109.4° |
C5 | C4 | H4 | 100.1° | 109.5° |
C4 | C5 | H5 | 96.7° | 109.5° |
O4 | C4 | H4 | 101.1° | 109.6° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C6 | C5 | O5 | 119.6° | 109.5° |
C5 | C6 | O6 | 107.6° | 109.5° |
C6 | C5 | H5 | 97.4° | 109.5° |
C5 | C6 | H61 | 110.0° | 109.5° |
C5 | C6 | H62 | 109.9° | 109.5° |
O5 | C5 | H5 | 96.9° | 109.5° |
C6 | O6 | CAZ | 116.8° | 117.0° |
O6 | C6 | H61 | 109.9° | 109.5° |
O6 | C6 | H62 | 109.9° | 109.4° |
O6 | CAZ | OAG | 121.8° | 120.0° |
O6 | CAZ | CAB | 114.7° | 120.0° |
OAG | CAZ | CAB | 123.4° | 120.0° |
CAZ | CAB | H11 | 109.5° | 109.5° |
CAZ | CAB | H12 | 109.5° | 109.5° |
CAZ | CAB | H13 | 109.5° | 109.5° |
OAN | SBN | OAO | 115.4° | 121.1° |
OAN | SBN | N | 109.2° | 104.3° |
OAO | SBN | N | 108.7° | 104.3° |
SBN | N | CD1 | 121.4° | 125.6° |
SBN | N | CA | 119.6° | 125.7° |
CD1 | N | CA | 107.2° | 108.7° |
N | CD1 | CG | 104.5° | 104.8° |
N | CD1 | H16 | 110.7° | 110.4° |
N | CD1 | H14 | 110.7° | 110.4° |
N | CA | CB | 102.3° | 107.3° |
N | CA | C | 111.6° | 109.9° |
N | CA | H22 | 111.1° | 109.8° |
CD1 | CG | OD2 | 109.4° | 110.9° |
CD1 | CG | CB | 101.9° | 101.6° |
CG | CD1 | H16 | 110.7° | 110.4° |
CD1 | CG | H17 | 106.7° | 111.0° |
CG | CD1 | H14 | 110.7° | 110.3° |
OD2 | CG | CB | 116.5° | 111.0° |
CG | OD2 | SBM | 125.9° | 114.0° |
OD2 | CG | H17 | 107.9° | 110.9° |
CG | CB | CA | 105.7° | 103.0° |
CB | CG | H17 | 113.8° | 111.1° |
CG | CB | H20 | 110.4° | 110.8° |
CG | CB | H21 | 110.4° | 110.7° |
OD2 | SBM | OAL | 102.4° | 106.4° |
OD2 | SBM | OAM | 114.9° | 106.4° |
OD2 | SBM | NAF | 105.1° | 107.2° |
OAL | SBM | OAM | 114.4° | 123.2° |
OAL | SBM | NAF | 100.4° | 106.4° |
OAM | SBM | NAF | 117.6° | 106.4° |
SBM | NAF | H18 | 109.5° | 120.0° |
SBM | NAF | H19 | 109.4° | 120.0° |
CB | CA | C | 110.8° | 110.0° |
CA | CB | H20 | 110.4° | 110.8° |
CA | CB | H21 | 110.4° | 110.5° |
CB | CA | H22 | 110.1° | 109.8° |
CA | C | O | 119.4° | 120.0° |
CA | C | OAS | 116.8° | 120.0° |
C | CA | H22 | 110.7° | 110.0° |
O | C | OAS | 123.7° | 120.0° |
C | OAS | CAA | 119.5° | 117.0° |
OAS | CAA | H23 | 109.5° | 109.5° |
OAS | CAA | H24 | 109.5° | 109.4° |
OAS | CAA | H25 | 109.5° | 109.5° |
H61 | C6 | H62 | 109.5° | 109.4° |
H11 | CAB | H12 | 109.5° | 109.4° |
H11 | CAB | H13 | 109.5° | 109.5° |
H12 | CAB | H13 | 109.5° | 109.5° |
H16 | CD1 | H14 | 109.4° | 110.4° |
H18 | NAF | H19 | 109.5° | 119.9° |
H20 | CB | H21 | 109.5° | 110.8° |
H23 | CAA | H24 | 109.5° | 109.5° |
H23 | CAA | H25 | 109.5° | 109.5° |
H24 | CAA | H25 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O5 | SBN | 115.9° | 120.0° |
C2 | C1 | O5 | H1 | 130.3° | 120.0° |
C2 | C1 | SBN | H1 | 119.4° | 120.0° |
C1 | C2 | C3 | O2 | 130.8° | 119.9° |
C1 | C2 | C3 | H2 | 114.4° | 119.9° |
C1 | C2 | O2 | H2 | 113.7° | 120.1° |
C1 | C2 | C3 | C4 | 17.6° | 57.0° |
C1 | C2 | C3 | O3 | 135.5° | 176.8° |
C2 | C1 | O5 | C5 | 32.4° | 61.2° |
C2 | C1 | SBN | OAN | 37.5° | 166.9° |
C2 | C1 | SBN | OAO | 84.7° | 56.4° |
C2 | C1 | SBN | N | 159.7° | 55.2° |
C1 | C2 | C3 | H3 | 121.2° | 62.9° |
C1 | C2 | O2 | HO2 | 180.0° | 180.0° |
O5 | C1 | SBN | H1 | 117.8° | 120.1° |
O5 | C1 | C2 | C3 | 41.3° | 57.6° |
O5 | C1 | C2 | O2 | 173.3° | 62.3° |
C1 | O5 | C5 | C4 | 1.8° | 61.2° |
C1 | O5 | C5 | C6 | 157.6° | 178.9° |
O5 | C1 | SBN | OAN | 85.2° | 73.2° |
O5 | C1 | SBN | OAO | 152.5° | 63.6° |
O5 | C1 | SBN | N | 37.0° | 175.2° |
O5 | C1 | C2 | H2 | 73.0° | 177.6° |
C1 | O5 | C5 | H5 | 99.7° | 58.8° |
SBN | C1 | C2 | C3 | 153.9° | 62.4° |
SBN | C1 | C2 | O2 | 74.1° | 177.7° |
SBN | C1 | O5 | C5 | 148.3° | 58.8° |
C1 | SBN | OAN | OAO | 112.9° | 131.5° |
C1 | SBN | OAN | N | 124.3° | 111.7° |
C1 | SBN | OAO | N | 118.5° | 111.7° |
C1 | SBN | N | CD1 | 84.4° | 82.4° |
C1 | SBN | N | CA | 53.8° | 98.0° |
SBN | C1 | C2 | H2 | 39.6° | 57.6° |
C3 | C2 | O2 | H2 | 114.7° | 120.2° |
C2 | C3 | C4 | O3 | 155.2° | 119.8° |
C2 | C3 | C4 | H3 | 103.6° | 119.9° |
C2 | C3 | O3 | H3 | 103.2° | 120.2° |
C2 | C3 | C4 | C5 | 14.0° | 57.0° |
C2 | C3 | C4 | O4 | 131.4° | 62.9° |
C3 | C2 | C1 | H1 | 89.5° | 177.6° |
C2 | C3 | C4 | H4 | 119.8° | 176.9° |
C3 | C2 | O2 | HO2 | 48.4° | 60.3° |
C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
O2 | C2 | C3 | C4 | 148.5° | 62.9° |
O2 | C2 | C3 | O3 | 4.6° | 56.9° |
O2 | C2 | C1 | H1 | 42.5° | 57.7° |
O2 | C2 | C3 | H3 | 107.9° | 177.2° |
C4 | C3 | O3 | H3 | 101.0° | 120.2° |
C3 | C4 | C5 | O4 | 145.3° | 120.0° |
C3 | C4 | C5 | H4 | 106.1° | 119.9° |
C3 | C4 | O4 | H4 | 108.4° | 120.2° |
C3 | C4 | C5 | C6 | 179.6° | 177.6° |
C3 | C4 | C5 | O5 | 24.1° | 57.7° |
C4 | C3 | C2 | H2 | 96.8° | 176.9° |
C3 | C4 | C5 | H5 | 77.5° | 62.3° |
C4 | C3 | O3 | HO3 | 24.2° | 60.4° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
O3 | C3 | C4 | C5 | 169.2° | 176.9° |
O3 | C3 | C4 | O4 | 23.8° | 56.9° |
O3 | C3 | C2 | H2 | 110.2° | 63.2° |
O3 | C3 | C4 | H4 | 84.9° | 63.3° |
C5 | C4 | O4 | H4 | 108.0° | 120.1° |
C4 | C5 | C6 | O5 | 156.0° | 119.9° |
C4 | C5 | C6 | H5 | 101.7° | 120.1° |
C4 | C5 | O5 | H5 | 101.5° | 120.0° |
C4 | C5 | C6 | O6 | 163.4° | 175.2° |
C5 | C4 | C3 | H3 | 89.6° | 62.9° |
C4 | C5 | C6 | H61 | 43.7° | 64.7° |
C4 | C5 | C6 | H62 | 76.9° | 55.2° |
C5 | C4 | O4 | HO4 | 36.4° | 179.7° |
O4 | C4 | C5 | C6 | 35.1° | 57.6° |
O4 | C4 | C5 | O5 | 121.2° | 62.3° |
O4 | C4 | C3 | H3 | 125.0° | 177.2° |
O4 | C4 | C5 | H5 | 137.2° | 177.7° |
C6 | C5 | O5 | H5 | 102.6° | 120.1° |
C5 | C6 | O6 | H61 | 119.7° | 120.1° |
C5 | C6 | O6 | H62 | 119.7° | 120.0° |
C5 | C6 | O6 | CAZ | 146.7° | 175.1° |
C6 | C5 | C4 | H4 | 73.5° | 62.6° |
C5 | C6 | H61 | H62 | 120.9° | 120.0° |
O5 | C5 | C6 | O6 | 7.4° | 64.9° |
C5 | O5 | C1 | H1 | 97.9° | 178.8° |
O5 | C5 | C4 | H4 | 130.2° | 177.5° |
O5 | C5 | C6 | H61 | 112.3° | 55.1° |
O5 | C5 | C6 | H62 | 127.2° | 175.1° |
C6 | O6 | CAZ | OAG | 22.0° | 5.0° |
C6 | O6 | CAZ | CAB | 157.0° | 174.9° |
O6 | C6 | C5 | H5 | 94.9° | 55.1° |
O6 | C6 | H61 | H62 | 120.8° | 119.9° |
O6 | CAZ | OAG | CAB | 178.9° | 179.9° |
CAZ | O6 | C6 | H61 | 26.9° | 64.8° |
CAZ | O6 | C6 | H62 | 93.6° | 55.1° |
O6 | CAZ | CAB | H11 | 179.0° | 65.1° |
O6 | CAZ | CAB | H12 | 59.0° | 175.0° |
O6 | CAZ | CAB | H13 | 61.0° | 55.0° |
OAG | CAZ | CAB | H11 | 0.0° | 115.0° |
OAG | CAZ | CAB | H12 | 120.0° | 4.9° |
OAG | CAZ | CAB | H13 | 120.0° | 125.0° |
CAZ | CAB | H11 | H12 | 120.0° | 119.9° |
CAZ | CAB | H11 | H13 | 120.0° | 120.1° |
CAZ | CAB | H12 | H13 | 120.0° | 120.0° |
OAN | SBN | OAO | N | 123.1° | 116.8° |
OAN | SBN | N | CD1 | 38.4° | 33.7° |
OAN | SBN | N | CA | 176.6° | 146.0° |
OAN | SBN | C1 | H1 | 156.9° | 46.9° |
OAO | SBN | N | CD1 | 165.1° | 161.6° |
OAO | SBN | N | CA | 56.7° | 18.1° |
OAO | SBN | C1 | H1 | 34.7° | 176.4° |
SBN | N | CD1 | CA | 142.7° | 179.7° |
SBN | N | CD1 | CG | 171.1° | 156.0° |
SBN | N | CA | CB | 152.6° | 178.9° |
SBN | N | CA | C | 88.9° | 61.5° |
N | SBN | C1 | H1 | 80.8° | 64.8° |
SBN | N | CD1 | H16 | 51.9° | 37.0° |
SBN | N | CA | H22 | 35.2° | 59.6° |
SBN | N | CD1 | H14 | 69.7° | 85.3° |
N | CD1 | CG | H16 | 119.2° | 118.9° |
N | CD1 | CG | H14 | 119.2° | 118.8° |
N | CD1 | CG | OD2 | 169.7° | 81.1° |
N | CD1 | CG | CB | 45.8° | 37.0° |
CD1 | N | CA | CB | 9.2° | 1.4° |
CD1 | N | CA | C | 127.6° | 118.2° |
N | CD1 | H16 | H14 | 122.3° | 122.3° |
N | CD1 | CG | H17 | 73.8° | 155.1° |
CD1 | N | CA | H22 | 108.3° | 120.7° |
CA | N | CD1 | CG | 28.5° | 24.3° |
N | CA | CB | CG | 22.8° | 21.8° |
N | CA | CB | C | 119.1° | 119.5° |
N | CA | CB | H22 | 118.2° | 119.3° |
N | CA | C | H22 | 124.3° | 121.0° |
N | CA | C | O | 55.4° | 0.1° |
N | CA | C | OAS | 121.5° | 180.0° |
CA | N | CD1 | H16 | 90.8° | 143.2° |
N | CA | CB | H20 | 96.6° | 140.3° |
N | CA | CB | H21 | 142.2° | 96.5° |
CA | N | CD1 | H14 | 147.7° | 94.4° |
CD1 | CG | OD2 | CB | 114.8° | 112.2° |
CD1 | CG | OD2 | H17 | 115.7° | 123.9° |
CD1 | CG | CB | H17 | 114.5° | 118.1° |
CD1 | CG | OD2 | SBM | 118.8° | 95.5° |
CD1 | CG | CB | CA | 36.5° | 35.3° |
CG | CD1 | H16 | H14 | 122.3° | 122.2° |
CD1 | CG | CB | H20 | 82.9° | 153.8° |
CD1 | CG | CB | H21 | 155.9° | 82.9° |
OD2 | CG | CB | H17 | 126.5° | 123.8° |
CG | OD2 | SBM | OAL | 80.0° | 174.4° |
CG | OD2 | SBM | OAM | 44.6° | 41.4° |
CG | OD2 | SBM | NAF | 175.4° | 72.1° |
OD2 | CG | CB | CA | 155.5° | 82.8° |
OD2 | CG | CD1 | H16 | 50.5° | 37.8° |
OD2 | CG | CB | H20 | 36.1° | 35.7° |
OD2 | CG | CB | H21 | 85.1° | 159.1° |
OD2 | CG | CD1 | H14 | 71.1° | 160.1° |
CB | CG | OD2 | SBM | 126.3° | 152.3° |
CG | CB | CA | H20 | 119.4° | 118.5° |
CG | CB | CA | H21 | 119.4° | 118.3° |
CG | CB | CA | C | 96.3° | 141.3° |
CB | CG | CD1 | H16 | 73.4° | 155.9° |
CG | CB | H20 | H21 | 121.7° | 123.3° |
CG | CB | CA | H22 | 141.0° | 97.5° |
CB | CG | CD1 | H14 | 165.0° | 81.8° |
OD2 | SBM | OAL | OAM | 125.0° | 123.0° |
OD2 | SBM | OAL | NAF | 108.1° | 114.1° |
OD2 | SBM | OAM | NAF | 124.5° | 114.1° |
SBM | OD2 | CG | H17 | 3.1° | 28.3° |
OD2 | SBM | NAF | H18 | 180.0° | 150.0° |
OD2 | SBM | NAF | H19 | 60.0° | 30.0° |
OAL | SBM | OAM | NAF | 117.5° | 122.9° |
OAL | SBM | NAF | H18 | 74.0° | 36.4° |
OAL | SBM | NAF | H19 | 166.0° | 143.5° |
OAM | SBM | NAF | H18 | 50.7° | 96.5° |
OAM | SBM | NAF | H19 | 69.3° | 83.6° |
SBM | NAF | H18 | H19 | 120.0° | 179.9° |
CB | CA | C | H22 | 122.4° | 121.1° |
CB | CA | C | O | 57.9° | 117.9° |
CB | CA | C | OAS | 125.2° | 62.1° |
CA | CB | CG | H17 | 78.0° | 153.4° |
CA | CB | H20 | H21 | 121.8° | 123.0° |
CA | C | O | OAS | 176.6° | 179.9° |
CA | C | OAS | CAA | 170.6° | 179.9° |
C | CA | CB | H20 | 144.3° | 100.2° |
C | CA | CB | H21 | 23.1° | 23.0° |
O | C | OAS | CAA | 6.1° | 0.0° |
O | C | CA | H22 | 179.7° | 121.1° |
OAS | C | CA | H22 | 2.8° | 59.0° |
C | OAS | CAA | H23 | 180.0° | 60.0° |
C | OAS | CAA | H24 | 60.0° | 60.0° |
C | OAS | CAA | H25 | 60.0° | 180.0° |
OAS | CAA | H23 | H24 | 120.0° | 120.0° |
OAS | CAA | H23 | H25 | 120.0° | 120.0° |
OAS | CAA | H24 | H25 | 120.0° | 120.0° |
H1 | C1 | C2 | H2 | 156.2° | 62.4° |
H2 | C2 | C3 | H3 | 6.8° | 57.0° |
H2 | C2 | O2 | HO2 | 66.2° | 59.9° |
H3 | C3 | C4 | H4 | 16.2° | 57.0° |
H3 | C3 | O3 | HO3 | 76.9° | 59.8° |
H4 | C4 | C5 | H5 | 28.6° | 57.5° |
H4 | C4 | O4 | HO4 | 71.6° | 60.2° |
H5 | C5 | C6 | H61 | 145.4° | 175.2° |
H5 | C5 | C6 | H62 | 24.8° | 64.8° |
H11 | CAB | H12 | H13 | 120.0° | 120.0° |
H16 | CD1 | CG | H17 | 167.0° | 85.9° |
H17 | CG | CB | H20 | 162.6° | 88.1° |
H17 | CG | CB | H21 | 41.5° | 35.3° |
H17 | CG | CD1 | H14 | 45.4° | 36.3° |
H20 | CB | CA | H22 | 21.6° | 21.0° |
H21 | CB | CA | H22 | 99.6° | 144.2° |
H23 | CAA | H24 | H25 | 120.0° | 120.1° |