6EL
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OE1 | CD | doub | 1.21Å | 1.23Å | |
NE2 | CD | sing | 1.34Å | 1.38Å | |
NE2 | C | sing | 1.34Å | 1.34Å | |
O | C | doub | 1.21Å | 1.23Å | |
CD | CG | sing | 1.51Å | 1.53Å | |
C | CA | sing | 1.51Å | 1.51Å | |
CG | CB | sing | 1.53Å | 1.53Å | |
CA | CB | sing | 1.53Å | 1.51Å | |
CA | N | sing | 1.46Å | 1.47Å | |
OAD | CAO | doub | 1.21Å | 1.26Å | |
N | CAO | sing | 1.35Å | 1.32Å | |
N | CAN | sing | 1.35Å | 1.34Å | |
CAO | CAQ | sing | 1.48Å | 1.38Å | |
CAN | OAC | doub | 1.21Å | 1.25Å | |
CAN | CAP | sing | 1.48Å | 1.40Å | |
CAQ | CAP | doub | 1.41Å | 1.38Å | Aromatic |
CAQ | CAH | sing | 1.39Å | 1.39Å | Aromatic |
CAP | CAG | sing | 1.39Å | 1.39Å | Aromatic |
CAH | CAF | doub | 1.39Å | 1.39Å | Aromatic |
CAG | CAE | doub | 1.39Å | 1.40Å | Aromatic |
CAF | CAE | sing | 1.38Å | 1.40Å | Aromatic |
NE2 | H1 | sing | 0.97Å | 1.00Å | |
CG | H2 | sing | 1.09Å | 1.10Å | |
CG | H3 | sing | 1.09Å | 1.10Å | |
CB | H4 | sing | 1.09Å | 1.10Å | |
CB | H5 | sing | 1.09Å | 1.10Å | |
CA | H6 | sing | 1.09Å | 1.10Å | |
CAH | H7 | sing | 1.08Å | 1.08Å | |
CAF | H8 | sing | 1.08Å | 1.08Å | |
CAE | H9 | sing | 1.08Å | 1.08Å | |
CAG | H10 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OE1 | CD | NE2 | 119.2° | 119.4° |
OE1 | CD | CG | 119.1° | 119.3° |
CD | NE2 | C | 121.8° | 122.6° |
NE2 | CD | CG | 121.6° | 121.3° |
CD | NE2 | H1 | 119.1° | 118.7° |
NE2 | C | O | 120.5° | 119.4° |
NE2 | C | CA | 116.8° | 121.3° |
C | NE2 | H1 | 119.1° | 118.7° |
O | C | CA | 120.1° | 119.3° |
CD | CG | CB | 111.5° | 109.2° |
CD | CG | H2 | 108.9° | 109.5° |
CD | CG | H3 | 109.0° | 109.5° |
C | CA | CB | 110.8° | 109.3° |
C | CA | N | 112.0° | 109.5° |
C | CA | H6 | 105.2° | 109.5° |
CG | CB | CA | 106.5° | 108.7° |
CB | CG | H2 | 109.0° | 109.5° |
CB | CG | H3 | 109.0° | 109.6° |
CG | CB | H4 | 110.2° | 109.6° |
CG | CB | H5 | 110.2° | 109.6° |
CB | CA | N | 116.8° | 109.5° |
CA | CB | H4 | 110.2° | 109.6° |
CA | CB | H5 | 110.2° | 109.6° |
CB | CA | H6 | 105.2° | 109.3° |
CA | N | CAO | 120.0° | 124.4° |
CA | N | CAN | 131.7° | 124.5° |
N | CA | H6 | 105.7° | 109.6° |
OAD | CAO | N | 122.1° | 125.7° |
OAD | CAO | CAQ | 123.7° | 125.7° |
CAO | N | CAN | 106.9° | 111.1° |
N | CAO | CAQ | 110.5° | 108.6° |
N | CAN | OAC | 125.2° | 125.7° |
N | CAN | CAP | 109.4° | 108.6° |
CAO | CAQ | CAP | 105.3° | 105.9° |
CAO | CAQ | CAH | 131.8° | 134.3° |
OAC | CAN | CAP | 124.4° | 125.8° |
CAN | CAP | CAQ | 105.9° | 105.9° |
CAN | CAP | CAG | 134.1° | 134.2° |
CAP | CAQ | CAH | 121.5° | 119.8° |
CAQ | CAP | CAG | 120.0° | 119.9° |
CAQ | CAH | CAF | 118.7° | 119.7° |
CAQ | CAH | H7 | 120.6° | 120.1° |
CAP | CAG | CAE | 118.8° | 119.7° |
CAP | CAG | H10 | 120.6° | 120.2° |
CAH | CAF | CAE | 119.9° | 120.4° |
CAF | CAH | H7 | 120.7° | 120.1° |
CAH | CAF | H8 | 120.0° | 119.8° |
CAG | CAE | CAF | 120.8° | 120.5° |
CAG | CAE | H9 | 119.6° | 119.8° |
CAE | CAG | H10 | 120.6° | 120.1° |
CAE | CAF | H8 | 120.1° | 119.8° |
CAF | CAE | H9 | 119.6° | 119.8° |
H2 | CG | H3 | 109.5° | 109.6° |
H4 | CB | H5 | 109.5° | 109.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OE1 | CD | NE2 | CG | 178.9° | 180.0° |
OE1 | CD | NE2 | C | 178.0° | 179.5° |
OE1 | CD | CG | CB | 163.8° | 150.9° |
OE1 | CD | NE2 | H1 | 2.0° | 0.6° |
OE1 | CD | CG | H2 | 75.9° | 89.2° |
OE1 | CD | CG | H3 | 43.5° | 31.0° |
CD | NE2 | C | H1 | 180.0° | 179.9° |
CD | NE2 | C | O | 176.0° | 179.4° |
CD | NE2 | C | CA | 14.2° | 0.3° |
NE2 | CD | CG | CB | 17.3° | 29.1° |
NE2 | CD | CG | H2 | 103.0° | 90.8° |
NE2 | CD | CG | H3 | 137.6° | 149.1° |
NE2 | C | O | CA | 161.2° | 179.7° |
C | NE2 | CD | CG | 0.9° | 0.6° |
NE2 | C | CA | CB | 47.8° | 28.7° |
NE2 | C | CA | N | 179.8° | 148.7° |
NE2 | C | CA | H6 | 65.4° | 91.1° |
O | C | CA | CB | 150.4° | 151.0° |
O | C | CA | N | 17.9° | 31.0° |
O | C | NE2 | H1 | 4.1° | 0.7° |
O | C | CA | H6 | 96.4° | 89.2° |
CD | CG | CB | H2 | 120.3° | 119.9° |
CD | CG | CB | H3 | 120.3° | 119.9° |
CD | CG | CB | CA | 47.3° | 55.5° |
CG | CD | NE2 | H1 | 179.1° | 179.4° |
CD | CG | H2 | H3 | 119.1° | 120.1° |
CD | CG | CB | H4 | 166.8° | 175.3° |
CD | CG | CB | H5 | 72.2° | 64.3° |
C | CA | CB | CG | 62.9° | 55.3° |
C | CA | CB | N | 129.9° | 120.0° |
C | CA | CB | H6 | 113.3° | 119.9° |
C | CA | N | H6 | 114.1° | 120.2° |
C | CA | N | CAO | 77.0° | 120.0° |
C | CA | N | CAN | 87.5° | 59.6° |
CA | C | NE2 | H1 | 165.8° | 179.6° |
C | CA | CB | H4 | 177.5° | 175.2° |
C | CA | CB | H5 | 56.6° | 64.5° |
CG | CB | CA | H4 | 119.5° | 119.9° |
CG | CB | CA | H5 | 119.5° | 119.8° |
CG | CB | CA | N | 167.1° | 175.3° |
CB | CG | H2 | H3 | 119.1° | 120.2° |
CG | CB | H4 | H5 | 121.4° | 120.4° |
CG | CB | CA | H6 | 50.3° | 64.6° |
CB | CA | N | H6 | 116.5° | 119.9° |
CB | CA | N | CAO | 153.6° | 120.1° |
CB | CA | N | CAN | 41.9° | 60.2° |
CA | CB | CG | H2 | 73.0° | 64.4° |
CA | CB | CG | H3 | 167.6° | 175.4° |
CA | CB | H4 | H5 | 121.3° | 120.3° |
CA | N | CAO | OAD | 18.3° | 0.0° |
CA | N | CAO | CAN | 167.9° | 179.7° |
CA | N | CAO | CAQ | 177.3° | 180.0° |
CA | N | CAN | OAC | 14.1° | 0.0° |
CA | N | CAN | CAP | 176.9° | 180.0° |
N | CA | CB | H4 | 47.6° | 64.8° |
N | CA | CB | H5 | 73.4° | 55.5° |
OAD | CAO | N | CAQ | 159.0° | 180.0° |
OAD | CAO | N | CAN | 173.8° | 179.7° |
OAD | CAO | CAQ | CAP | 171.3° | 179.9° |
OAD | CAO | CAQ | CAH | 22.1° | 0.0° |
CAO | N | CAN | OAC | 180.0° | 179.7° |
CAO | N | CAN | CAP | 11.0° | 0.3° |
N | CAO | CAQ | CAP | 12.7° | 0.1° |
N | CAO | CAQ | CAH | 179.4° | 180.0° |
CAO | N | CA | H6 | 37.1° | 0.2° |
CAN | N | CAO | CAQ | 14.8° | 0.3° |
N | CAN | OAC | CAP | 167.4° | 180.0° |
N | CAN | CAP | CAQ | 3.1° | 0.2° |
N | CAN | CAP | CAG | 177.5° | 180.0° |
CAN | N | CA | H6 | 158.4° | 179.9° |
CAO | CAQ | CAP | CAN | 5.5° | 0.0° |
CAO | CAQ | CAP | CAH | 168.3° | 179.9° |
CAO | CAQ | CAP | CAG | 174.0° | 179.9° |
CAO | CAQ | CAH | CAF | 170.3° | 179.9° |
CAO | CAQ | CAH | H7 | 9.7° | 0.0° |
OAC | CAN | CAP | CAQ | 172.2° | 179.8° |
OAC | CAN | CAP | CAG | 8.4° | 0.0° |
CAN | CAP | CAQ | CAG | 179.5° | 179.9° |
CAN | CAP | CAQ | CAH | 173.9° | 179.9° |
CAN | CAP | CAG | CAE | 176.9° | 179.8° |
CAN | CAP | CAG | H10 | 3.0° | 0.1° |
CAP | CAQ | CAH | CAF | 5.5° | 0.2° |
CAQ | CAP | CAG | CAE | 2.4° | 0.4° |
CAP | CAQ | CAH | H7 | 174.5° | 179.8° |
CAQ | CAP | CAG | H10 | 177.6° | 179.9° |
CAH | CAQ | CAP | CAG | 5.6° | 0.0° |
CAQ | CAH | CAF | H7 | 180.0° | 180.0° |
CAQ | CAH | CAF | CAE | 2.2° | 0.0° |
CAQ | CAH | CAF | H8 | 177.8° | 180.0° |
CAP | CAG | CAE | H10 | 180.0° | 179.7° |
CAP | CAG | CAE | CAF | 0.8° | 0.6° |
CAP | CAG | CAE | H9 | 179.2° | 179.8° |
CAH | CAF | CAE | CAG | 0.9° | 0.4° |
CAH | CAF | CAE | H8 | 180.0° | 179.9° |
CAH | CAF | CAE | H9 | 179.1° | 180.0° |
CAG | CAE | CAF | H9 | 180.0° | 179.6° |
CAG | CAE | CAF | H8 | 179.1° | 179.6° |
CAE | CAF | CAH | H7 | 177.8° | 180.0° |
CAF | CAE | CAG | H10 | 179.2° | 179.7° |
H2 | CG | CB | H4 | 46.5° | 55.5° |
H2 | CG | CB | H5 | 167.5° | 175.9° |
H3 | CG | CB | H4 | 72.9° | 64.8° |
H3 | CG | CB | H5 | 48.1° | 55.6° |
H4 | CB | CA | H6 | 69.2° | 55.3° |
H5 | CB | CA | H6 | 169.8° | 175.7° |
H7 | CAH | CAF | H8 | 2.2° | 0.1° |
H8 | CAF | CAE | H9 | 0.9° | 0.1° |
H9 | CAE | CAG | H10 | 0.8° | 0.1° |