ILV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
NAG | CAH | sing | 1.37Å | 1.32Å | Aromatic |
NAG | CAD | sing | 1.38Å | 1.33Å | Aromatic |
CAC | CAD | doub | 1.39Å | 1.33Å | Aromatic |
CAC | CAB | sing | 1.38Å | 1.39Å | Aromatic |
CG2 | CB | sing | 1.53Å | 1.53Å | |
CAH | CAI | doub | 1.35Å | 1.34Å | Aromatic |
CAD | CAE | sing | 1.41Å | 1.36Å | Aromatic |
CAB | CAA | doub | 1.39Å | 1.39Å | Aromatic |
CAI | CAE | sing | 1.45Å | 1.39Å | Aromatic |
CAI | CAJ | sing | 1.51Å | 1.44Å | |
CAE | CAF | doub | 1.41Å | 1.39Å | Aromatic |
CG1 | CB | sing | 1.53Å | 1.53Å | |
CAA | CAF | sing | 1.39Å | 1.39Å | Aromatic |
CB | CA | sing | 1.54Å | 1.55Å | |
CAF | N | sing | 1.38Å | 1.36Å | |
CAJ | CAQ | sing | 1.54Å | 1.59Å | |
CA | N | sing | 1.46Å | 1.47Å | |
CA | C | sing | 1.51Å | 1.42Å | |
N | CAL | sing | 1.46Å | 1.47Å | |
CAQ | NAO | sing | 1.48Å | 1.49Å | |
CAQ | CAS | sing | 1.53Å | 1.53Å | |
C | NAO | sing | 1.35Å | 1.41Å | |
C | O | doub | 1.23Å | 1.24Å | |
CAS | OAV | sing | 1.43Å | 1.46Å | |
CG2 | H1 | sing | 1.09Å | 1.10Å | |
CG2 | H2 | sing | 1.09Å | 1.10Å | |
CG2 | H3 | sing | 1.09Å | 1.10Å | |
CB | H4 | sing | 1.09Å | 1.10Å | |
CG1 | H5 | sing | 1.09Å | 1.10Å | |
CG1 | H6 | sing | 1.09Å | 1.10Å | |
CG1 | H7 | sing | 1.09Å | 1.10Å | |
CA | H8 | sing | 1.09Å | 1.10Å | |
NAO | H9 | sing | 0.99Å | 1.00Å | |
CAQ | H10 | sing | 1.11Å | 1.10Å | |
CAS | H11 | sing | 1.09Å | 1.10Å | |
CAS | H12 | sing | 1.09Å | 1.10Å | |
OAV | H13 | sing | 0.97Å | 0.95Å | |
CAJ | H14 | sing | 1.08Å | 1.10Å | |
CAJ | H15 | sing | 1.10Å | 1.10Å | |
CAH | H16 | sing | 1.08Å | 1.08Å | |
NAG | H17 | sing | 0.97Å | 1.00Å | |
CAC | H18 | sing | 1.08Å | 1.08Å | |
CAB | H19 | sing | 1.08Å | 1.08Å | |
CAA | H20 | sing | 1.08Å | 1.08Å | |
CAL | H21 | sing | 1.09Å | 1.10Å | |
CAL | H22 | sing | 1.09Å | 1.10Å | |
CAL | H23 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAH | NAG | CAD | 107.7° | 109.7° |
NAG | CAH | CAI | 110.4° | 109.6° |
NAG | CAH | H16 | 124.8° | 125.7° |
CAH | NAG | H17 | 126.1° | 125.5° |
NAG | CAD | CAC | 127.4° | 132.8° |
NAG | CAD | CAE | 109.4° | 107.2° |
CAD | NAG | H17 | 126.2° | 124.9° |
CAD | CAC | CAB | 121.0° | 119.9° |
CAC | CAD | CAE | 123.2° | 120.0° |
CAD | CAC | H18 | 119.5° | 120.1° |
CAC | CAB | CAA | 116.8° | 120.6° |
CAB | CAC | H18 | 119.5° | 120.0° |
CAC | CAB | H19 | 121.6° | 119.6° |
CG2 | CB | CG1 | 106.6° | 109.5° |
CG2 | CB | CA | 112.5° | 109.5° |
CB | CG2 | H1 | 109.5° | 109.4° |
CB | CG2 | H2 | 109.5° | 109.5° |
CB | CG2 | H3 | 109.5° | 109.4° |
CG2 | CB | H4 | 109.4° | 109.5° |
CAH | CAI | CAE | 106.5° | 107.4° |
CAH | CAI | CAJ | 123.8° | 124.4° |
CAI | CAH | H16 | 124.8° | 124.7° |
CAD | CAE | CAI | 106.0° | 106.2° |
CAD | CAE | CAF | 118.6° | 119.6° |
CAB | CAA | CAF | 122.3° | 120.8° |
CAA | CAB | H19 | 121.6° | 119.8° |
CAB | CAA | H20 | 118.8° | 120.0° |
CAE | CAI | CAJ | 129.7° | 128.2° |
CAI | CAE | CAF | 135.4° | 134.3° |
CAI | CAJ | CAQ | 111.2° | 101.5° |
CAI | CAJ | H14 | 109.0° | 113.3° |
CAI | CAJ | H15 | 109.0° | 109.4° |
CAE | CAF | CAA | 118.1° | 119.0° |
CAE | CAF | N | 131.4° | 122.9° |
CG1 | CB | CA | 109.9° | 109.5° |
CG1 | CB | H4 | 109.3° | 109.4° |
CB | CG1 | H5 | 109.5° | 109.5° |
CB | CG1 | H6 | 109.5° | 109.5° |
CB | CG1 | H7 | 109.4° | 109.4° |
CAA | CAF | N | 110.4° | 118.1° |
CAF | CAA | H20 | 118.9° | 119.1° |
CB | CA | N | 115.6° | 109.3° |
CB | CA | C | 113.7° | 108.8° |
CA | CB | H4 | 109.1° | 109.5° |
CB | CA | H8 | 105.2° | 107.5° |
CAF | N | CA | 120.3° | 114.5° |
CAF | N | CAL | 122.3° | 114.5° |
CAJ | CAQ | NAO | 115.9° | 107.1° |
CAJ | CAQ | CAS | 113.6° | 111.9° |
CAJ | CAQ | H10 | 105.7° | 108.5° |
CAQ | CAJ | H14 | 109.0° | 113.4° |
CAQ | CAJ | H15 | 109.0° | 109.8° |
N | CA | C | 108.9° | 109.2° |
CA | N | CAL | 114.3° | 115.2° |
N | CA | H8 | 106.1° | 110.6° |
CA | C | NAO | 119.2° | 121.6° |
CA | C | O | 123.0° | 119.2° |
C | CA | H8 | 106.7° | 111.3° |
N | CAL | H21 | 109.5° | 109.4° |
N | CAL | H22 | 109.5° | 109.4° |
N | CAL | H23 | 109.5° | 109.5° |
NAO | CAQ | CAS | 107.8° | 112.3° |
CAQ | NAO | C | 125.3° | 125.3° |
CAQ | NAO | H9 | 117.4° | 117.5° |
NAO | CAQ | H10 | 106.8° | 108.7° |
CAQ | CAS | OAV | 111.5° | 109.5° |
CAS | CAQ | H10 | 106.4° | 108.3° |
CAQ | CAS | H11 | 109.0° | 109.4° |
CAQ | CAS | H12 | 108.9° | 109.4° |
NAO | C | O | 117.7° | 119.1° |
C | NAO | H9 | 117.3° | 117.2° |
OAV | CAS | H11 | 108.9° | 109.5° |
OAV | CAS | H12 | 109.0° | 109.5° |
CAS | OAV | H13 | 109.5° | 114.0° |
H1 | CG2 | H2 | 109.5° | 109.5° |
H1 | CG2 | H3 | 109.5° | 109.5° |
H2 | CG2 | H3 | 109.5° | 109.4° |
H5 | CG1 | H6 | 109.4° | 109.5° |
H5 | CG1 | H7 | 109.5° | 109.5° |
H6 | CG1 | H7 | 109.5° | 109.4° |
H11 | CAS | H12 | 109.5° | 109.5° |
H14 | CAJ | H15 | 109.5° | 109.2° |
H21 | CAL | H22 | 109.5° | 109.5° |
H21 | CAL | H23 | 109.5° | 109.5° |
H22 | CAL | H23 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAH | NAG | CAD | H17 | 180.0° | 179.9° |
CAH | NAG | CAD | CAC | 177.9° | 178.7° |
NAG | CAH | CAI | H16 | 180.0° | 178.7° |
CAH | NAG | CAD | CAE | 2.2° | 0.5° |
NAG | CAH | CAI | CAE | 0.3° | 2.6° |
NAG | CAH | CAI | CAJ | 178.4° | 176.9° |
NAG | CAD | CAC | CAE | 179.9° | 179.2° |
NAG | CAD | CAC | CAB | 179.0° | 179.9° |
CAD | NAG | CAH | CAI | 1.6° | 1.4° |
NAG | CAD | CAE | CAI | 2.0° | 2.0° |
NAG | CAD | CAE | CAF | 179.8° | 177.5° |
CAD | NAG | CAH | H16 | 178.5° | 179.9° |
NAG | CAD | CAC | H18 | 1.0° | 0.4° |
CAD | CAC | CAB | H18 | 180.0° | 179.5° |
CAD | CAC | CAB | CAA | 0.5° | 0.7° |
CAC | CAD | CAE | CAI | 178.1° | 177.3° |
CAC | CAD | CAE | CAF | 0.3° | 3.1° |
CAC | CAD | NAG | H17 | 2.1° | 1.4° |
CAD | CAC | CAB | H19 | 179.5° | 179.9° |
CAB | CAC | CAD | CAE | 0.8° | 0.9° |
CAC | CAB | CAA | H19 | 180.0° | 179.4° |
CAC | CAB | CAA | CAF | 1.0° | 0.1° |
CAC | CAB | CAA | H20 | 179.0° | 179.4° |
CG2 | CB | CG1 | CA | 122.1° | 120.0° |
CG2 | CB | CG1 | H4 | 118.1° | 120.0° |
CG2 | CB | CA | H4 | 121.5° | 120.1° |
CG2 | CB | CA | N | 54.8° | 180.0° |
CG2 | CB | CA | C | 178.2° | 60.8° |
CB | CG2 | H1 | H2 | 120.0° | 120.0° |
CB | CG2 | H1 | H3 | 120.0° | 120.0° |
CB | CG2 | H2 | H3 | 120.0° | 119.9° |
CG2 | CB | CG1 | H5 | 180.0° | 60.0° |
CG2 | CB | CG1 | H6 | 60.0° | 180.0° |
CG2 | CB | CG1 | H7 | 60.0° | 60.0° |
CG2 | CB | CA | H8 | 61.8° | 59.8° |
CAH | CAI | CAE | CAD | 1.0° | 2.9° |
CAH | CAI | CAE | CAJ | 177.9° | 179.4° |
CAH | CAI | CAE | CAF | 178.3° | 176.6° |
CAH | CAI | CAJ | CAQ | 125.6° | 87.0° |
CAH | CAI | CAJ | H14 | 5.3° | 151.0° |
CAH | CAI | CAJ | H15 | 114.2° | 29.0° |
CAI | CAH | NAG | H17 | 178.5° | 178.8° |
CAD | CAE | CAI | CAF | 177.3° | 179.5° |
CAD | CAE | CAI | CAJ | 176.9° | 176.6° |
CAD | CAE | CAF | CAA | 1.7° | 3.7° |
CAD | CAE | CAF | N | 176.1° | 174.3° |
CAE | CAD | NAG | H17 | 177.8° | 179.3° |
CAE | CAD | CAC | H18 | 179.2° | 179.6° |
CAB | CAA | CAF | CAE | 2.1° | 2.2° |
CAB | CAA | CAF | H20 | 180.0° | 179.5° |
CAB | CAA | CAF | N | 177.6° | 176.0° |
CAA | CAB | CAC | H18 | 179.5° | 178.8° |
CAI | CAE | CAF | CAA | 178.7° | 176.9° |
CAI | CAE | CAF | N | 6.8° | 5.1° |
CAE | CAI | CAJ | CAQ | 52.1° | 92.3° |
CAE | CAI | CAJ | H14 | 172.3° | 29.6° |
CAE | CAI | CAJ | H15 | 68.2° | 151.7° |
CAE | CAI | CAH | H16 | 179.7° | 178.6° |
CAJ | CAI | CAE | CAF | 0.4° | 4.0° |
CAI | CAJ | CAQ | H14 | 120.3° | 121.9° |
CAI | CAJ | CAQ | H15 | 120.3° | 115.7° |
CAI | CAJ | CAQ | NAO | 123.1° | 42.3° |
CAI | CAJ | CAQ | CAS | 111.3° | 165.8° |
CAI | CAJ | CAQ | H10 | 5.0° | 74.9° |
CAI | CAJ | H14 | H15 | 119.2° | 122.2° |
CAJ | CAI | CAH | H16 | 1.6° | 1.9° |
CAE | CAF | CAA | N | 175.6° | 178.1° |
CAE | CAF | N | CA | 33.6° | 61.6° |
CAE | CAF | N | CAL | 167.6° | 74.6° |
CAE | CAF | CAA | H20 | 177.9° | 178.4° |
CG1 | CB | CA | H4 | 119.9° | 119.9° |
CG1 | CB | CA | N | 173.4° | 60.0° |
CG1 | CB | CA | C | 59.6° | 179.2° |
CG1 | CB | CG2 | H1 | 180.0° | 60.0° |
CG1 | CB | CG2 | H2 | 60.0° | 60.0° |
CG1 | CB | CG2 | H3 | 60.0° | 180.0° |
CB | CG1 | H5 | H6 | 120.0° | 120.0° |
CB | CG1 | H5 | H7 | 120.0° | 120.0° |
CB | CG1 | H6 | H7 | 120.0° | 120.0° |
CG1 | CB | CA | H8 | 56.8° | 60.2° |
CAA | CAF | N | CA | 141.1° | 120.3° |
CAA | CAF | N | CAL | 17.7° | 103.5° |
CAF | CAA | CAB | H19 | 179.0° | 179.5° |
CB | CA | N | CAF | 102.3° | 130.0° |
CB | CA | N | C | 129.3° | 119.0° |
CB | CA | N | H8 | 116.2° | 118.2° |
CB | CA | C | H8 | 115.5° | 118.3° |
CB | CA | N | CAL | 58.2° | 94.1° |
CB | CA | C | NAO | 155.5° | 137.7° |
CB | CA | C | O | 25.4° | 42.2° |
CA | CB | CG2 | H1 | 59.5° | 60.0° |
CA | CB | CG2 | H2 | 179.5° | 180.0° |
CA | CB | CG2 | H3 | 60.5° | 60.0° |
CA | CB | CG1 | H5 | 57.9° | 60.0° |
CA | CB | CG1 | H6 | 62.1° | 60.0° |
CA | CB | CG1 | H7 | 177.9° | 179.9° |
CAF | N | CA | CAL | 160.4° | 135.9° |
CAF | N | CA | C | 128.4° | 11.0° |
CAF | N | CA | H8 | 13.9° | 111.8° |
N | CAF | CAA | H20 | 2.4° | 3.5° |
CAF | N | CAL | H21 | 180.0° | 75.9° |
CAF | N | CAL | H22 | 60.0° | 44.2° |
CAF | N | CAL | H23 | 60.0° | 164.2° |
CAJ | CAQ | NAO | CAS | 128.5° | 123.2° |
CAJ | CAQ | NAO | H10 | 117.5° | 117.0° |
CAJ | CAQ | CAS | H10 | 115.9° | 119.5° |
CAJ | CAQ | NAO | C | 52.0° | 60.1° |
CAJ | CAQ | CAS | OAV | 172.9° | 174.5° |
CAJ | CAQ | NAO | H9 | 128.0° | 121.1° |
CAJ | CAQ | CAS | H11 | 52.6° | 54.5° |
CAJ | CAQ | CAS | H12 | 66.8° | 65.5° |
CAQ | CAJ | H14 | H15 | 119.2° | 122.7° |
N | CA | C | H8 | 114.1° | 122.4° |
N | CA | C | NAO | 74.2° | 103.1° |
N | CA | C | O | 105.0° | 77.1° |
N | CA | CB | H4 | 66.7° | 59.9° |
CA | N | CAL | H21 | 20.0° | 60.0° |
CA | N | CAL | H22 | 100.0° | 180.0° |
CA | N | CAL | H23 | 140.0° | 59.9° |
C | CA | N | CAL | 71.2° | 146.9° |
CA | C | NAO | CAQ | 4.8° | 11.1° |
CA | C | NAO | O | 179.2° | 179.8° |
C | CA | CB | H4 | 60.3° | 59.3° |
CA | C | NAO | H9 | 175.2° | 170.0° |
CAL | N | CA | H8 | 174.3° | 24.1° |
N | CAL | H21 | H22 | 120.0° | 120.0° |
N | CAL | H21 | H23 | 120.0° | 119.9° |
N | CAL | H22 | H23 | 120.0° | 120.0° |
NAO | CAQ | CAS | H10 | 114.3° | 120.0° |
CAQ | NAO | C | H9 | 180.0° | 178.8° |
CAQ | NAO | C | O | 174.4° | 168.7° |
NAO | CAQ | CAS | OAV | 57.3° | 65.0° |
NAO | CAQ | CAS | H11 | 177.6° | 175.0° |
NAO | CAQ | CAS | H12 | 63.0° | 55.0° |
NAO | CAQ | CAJ | H14 | 116.7° | 79.5° |
NAO | CAQ | CAJ | H15 | 2.8° | 158.1° |
CAS | CAQ | NAO | C | 179.5° | 63.2° |
CAQ | CAS | OAV | H11 | 120.3° | 120.0° |
CAQ | CAS | OAV | H12 | 120.3° | 120.0° |
CAS | CAQ | NAO | H9 | 0.5° | 115.6° |
CAQ | CAS | H11 | H12 | 119.1° | 120.0° |
CAQ | CAS | OAV | H13 | 180.0° | 179.9° |
CAS | CAQ | CAJ | H14 | 9.0° | 43.9° |
CAS | CAQ | CAJ | H15 | 128.5° | 78.5° |
NAO | C | CA | H8 | 39.9° | 19.4° |
C | NAO | CAQ | H10 | 65.5° | 177.1° |
O | C | CA | H8 | 140.9° | 160.5° |
O | C | NAO | H9 | 5.6° | 10.1° |
OAV | CAS | CAQ | H10 | 57.0° | 55.0° |
OAV | CAS | H11 | H12 | 119.1° | 120.0° |
H1 | CG2 | H2 | H3 | 120.0° | 120.1° |
H1 | CG2 | CB | H4 | 61.9° | 180.0° |
H2 | CG2 | CB | H4 | 58.1° | 59.9° |
H3 | CG2 | CB | H4 | 178.1° | 60.0° |
H4 | CB | CG1 | H5 | 61.9° | 180.0° |
H4 | CB | CG1 | H6 | 178.1° | 60.0° |
H4 | CB | CG1 | H7 | 58.1° | 60.0° |
H4 | CB | CA | H8 | 176.7° | 179.9° |
H5 | CG1 | H6 | H7 | 120.0° | 120.1° |
H9 | NAO | CAQ | H10 | 114.5° | 4.1° |
H10 | CAQ | CAS | H11 | 63.3° | 65.0° |
H10 | CAQ | CAS | H12 | 177.3° | 175.0° |
H10 | CAQ | CAJ | H14 | 125.3° | 163.3° |
H10 | CAQ | CAJ | H15 | 115.3° | 40.9° |
H11 | CAS | OAV | H13 | 59.7° | 60.0° |
H12 | CAS | OAV | H13 | 59.7° | 60.1° |
H16 | CAH | NAG | H17 | 1.5° | 0.0° |
H18 | CAC | CAB | H19 | 0.5° | 0.6° |
H19 | CAB | CAA | H20 | 1.0° | 0.0° |
H21 | CAL | H22 | H23 | 120.0° | 120.1° |