2VM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CE2 | CZ | doub | 1.38Å | 1.39Å | Aromatic |
CE2 | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
CZ | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
CD2 | CG | doub | 1.38Å | 1.39Å | Aromatic |
CE1 | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
CG | CD1 | sing | 1.38Å | 1.40Å | Aromatic |
CG | CB | sing | 1.51Å | 1.40Å | |
OBF | CBD | doub | 1.21Å | 1.25Å | |
CAL | CAM | sing | 1.53Å | 1.54Å | |
CAL | CAK | sing | 1.53Å | 1.52Å | |
CAM | CAI | sing | 1.51Å | 1.43Å | |
CBD | OBE | sing | 1.34Å | 1.25Å | |
CBD | CAK | sing | 1.51Å | 1.55Å | |
CB | CA | sing | 1.53Å | 1.51Å | |
CAK | CAJ | sing | 1.53Å | 1.50Å | |
CAI | CAE | sing | 1.45Å | 1.35Å | Aromatic |
CAI | CAH | doub | 1.35Å | 1.37Å | Aromatic |
CAF | CAE | doub | 1.40Å | 1.35Å | Aromatic |
CAF | CAA | sing | 1.38Å | 1.39Å | Aromatic |
CA | C | sing | 1.51Å | 1.52Å | |
CA | N | sing | 1.46Å | 1.49Å | |
CAJ | CAH | sing | 1.51Å | 1.42Å | |
CAE | CAD | sing | 1.42Å | 1.34Å | Aromatic |
BR | CAA | sing | 1.89Å | 1.91Å | |
CAH | NAG | sing | 1.37Å | 1.35Å | Aromatic |
CAA | CAB | doub | 1.39Å | 1.38Å | Aromatic |
C | O | doub | 1.21Å | 1.24Å | |
C | OXT | sing | 1.34Å | 1.25Å | |
N | CAP | sing | 1.35Å | 1.34Å | |
CAD | NAG | sing | 1.37Å | 1.33Å | Aromatic |
CAD | CAC | doub | 1.39Å | 1.34Å | Aromatic |
NAG | CAO | sing | 1.47Å | 1.53Å | |
CAB | CAC | sing | 1.38Å | 1.38Å | Aromatic |
CAP | OAQ | doub | 1.21Å | 1.23Å | |
CAP | CAO | sing | 1.51Å | 1.54Å | |
CAM | H1 | sing | 1.09Å | 1.10Å | |
CAM | H2 | sing | 1.09Å | 1.10Å | |
CAL | H3 | sing | 1.09Å | 1.10Å | |
CAL | H4 | sing | 1.09Å | 1.10Å | |
CAK | H5 | sing | 1.09Å | 1.10Å | |
OBE | H6 | sing | 0.97Å | 0.95Å | |
CAJ | H7 | sing | 1.09Å | 1.10Å | |
CAJ | H8 | sing | 1.09Å | 1.10Å | |
CAF | H9 | sing | 1.08Å | 1.08Å | |
CAB | H10 | sing | 1.08Å | 1.08Å | |
CAC | H11 | sing | 1.08Å | 1.08Å | |
CAO | H12 | sing | 1.09Å | 1.10Å | |
CAO | H13 | sing | 1.09Å | 1.10Å | |
N | H14 | sing | 0.97Å | 1.00Å | |
CA | H15 | sing | 1.09Å | 1.10Å | |
OXT | H16 | sing | 0.97Å | 0.95Å | |
CB | H17 | sing | 1.09Å | 1.10Å | |
CB | H18 | sing | 1.09Å | 1.10Å | |
CD1 | H19 | sing | 1.08Å | 1.08Å | |
CE1 | H20 | sing | 1.08Å | 1.08Å | |
CZ | H21 | sing | 1.08Å | 1.08Å | |
CE2 | H22 | sing | 1.08Å | 1.08Å | |
CD2 | H23 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CZ | CE2 | CD2 | 120.3° | 120.0° |
CE2 | CZ | CE1 | 120.3° | 120.0° |
CE2 | CZ | H21 | 119.9° | 120.0° |
CZ | CE2 | H22 | 119.8° | 120.0° |
CE2 | CD2 | CG | 119.8° | 120.0° |
CD2 | CE2 | H22 | 119.8° | 120.0° |
CE2 | CD2 | H23 | 120.1° | 120.0° |
CZ | CE1 | CD1 | 119.3° | 120.0° |
CZ | CE1 | H20 | 120.3° | 120.0° |
CE1 | CZ | H21 | 119.9° | 120.0° |
CD2 | CG | CD1 | 119.3° | 120.0° |
CD2 | CG | CB | 119.2° | 120.0° |
CG | CD2 | H23 | 120.1° | 120.0° |
CE1 | CD1 | CG | 120.8° | 120.0° |
CE1 | CD1 | H19 | 119.6° | 120.0° |
CD1 | CE1 | H20 | 120.3° | 120.0° |
CD1 | CG | CB | 121.2° | 120.0° |
CG | CD1 | H19 | 119.6° | 120.0° |
CG | CB | CA | 117.7° | 109.4° |
CG | CB | H17 | 107.4° | 109.5° |
CG | CB | H18 | 107.4° | 109.5° |
OBF | CBD | OBE | 124.8° | 120.0° |
OBF | CBD | CAK | 116.9° | 119.9° |
CAM | CAL | CAK | 107.4° | 109.3° |
CAL | CAM | CAI | 106.1° | 108.6° |
CAL | CAM | H1 | 110.3° | 109.6° |
CAL | CAM | H2 | 110.3° | 109.8° |
CAM | CAL | H3 | 110.0° | 109.5° |
CAM | CAL | H4 | 110.0° | 109.5° |
CAL | CAK | CBD | 110.3° | 109.5° |
CAL | CAK | CAJ | 107.8° | 109.4° |
CAK | CAL | H3 | 110.0° | 109.5° |
CAK | CAL | H4 | 110.0° | 109.5° |
CAL | CAK | H5 | 108.8° | 109.5° |
CAM | CAI | CAE | 128.5° | 128.5° |
CAM | CAI | CAH | 124.0° | 124.4° |
CAI | CAM | H1 | 110.3° | 109.6° |
CAI | CAM | H2 | 110.3° | 109.6° |
OBE | CBD | CAK | 118.2° | 120.0° |
CBD | OBE | H6 | 109.5° | 117.0° |
CBD | CAK | CAJ | 112.3° | 109.5° |
CBD | CAK | H5 | 108.5° | 109.5° |
CB | CA | C | 111.8° | 109.5° |
CB | CA | N | 104.7° | 109.5° |
CB | CA | H15 | 110.4° | 109.5° |
CA | CB | H17 | 107.4° | 109.4° |
CA | CB | H18 | 107.4° | 109.5° |
CAK | CAJ | CAH | 109.3° | 108.6° |
CAJ | CAK | H5 | 109.1° | 109.5° |
CAK | CAJ | H7 | 109.5° | 109.6° |
CAK | CAJ | H8 | 109.5° | 109.6° |
CAE | CAI | CAH | 107.5° | 107.1° |
CAI | CAE | CAF | 131.2° | 132.7° |
CAI | CAE | CAD | 108.1° | 106.0° |
CAI | CAH | CAJ | 125.1° | 123.7° |
CAI | CAH | NAG | 107.4° | 109.8° |
CAE | CAF | CAA | 120.7° | 116.8° |
CAF | CAE | CAD | 120.6° | 121.3° |
CAE | CAF | H9 | 119.6° | 121.6° |
CAF | CAA | BR | 124.4° | 119.1° |
CAF | CAA | CAB | 117.8° | 121.9° |
CAA | CAF | H9 | 119.6° | 121.6° |
C | CA | N | 108.9° | 109.5° |
CA | C | O | 116.4° | 120.0° |
CA | C | OXT | 117.3° | 120.0° |
C | CA | H15 | 110.2° | 109.5° |
CA | N | CAP | 124.0° | 120.1° |
CA | N | H14 | 118.0° | 120.0° |
N | CA | H15 | 110.7° | 109.4° |
CAJ | CAH | NAG | 127.5° | 126.5° |
CAH | CAJ | H7 | 109.5° | 109.6° |
CAH | CAJ | H8 | 109.5° | 109.6° |
CAE | CAD | NAG | 108.6° | 107.3° |
CAE | CAD | CAC | 120.9° | 120.7° |
BR | CAA | CAB | 117.8° | 119.0° |
CAH | NAG | CAD | 108.4° | 109.8° |
CAH | NAG | CAO | 127.7° | 125.1° |
CAA | CAB | CAC | 119.8° | 122.2° |
CAA | CAB | H10 | 120.1° | 118.9° |
O | C | OXT | 126.3° | 120.0° |
C | OXT | H16 | 109.5° | 117.0° |
N | CAP | OAQ | 123.2° | 120.0° |
N | CAP | CAO | 116.4° | 120.0° |
CAP | N | H14 | 118.0° | 119.9° |
NAG | CAD | CAC | 130.6° | 132.0° |
CAD | NAG | CAO | 124.0° | 125.1° |
CAD | CAC | CAB | 120.1° | 117.1° |
CAD | CAC | H11 | 119.9° | 121.5° |
NAG | CAO | CAP | 112.0° | 109.5° |
NAG | CAO | H12 | 108.8° | 109.5° |
NAG | CAO | H13 | 108.8° | 109.5° |
CAC | CAB | H10 | 120.1° | 118.9° |
CAB | CAC | H11 | 119.9° | 121.4° |
OAQ | CAP | CAO | 120.4° | 120.0° |
CAP | CAO | H12 | 108.8° | 109.5° |
CAP | CAO | H13 | 108.8° | 109.4° |
H1 | CAM | H2 | 109.4° | 109.6° |
H3 | CAL | H4 | 109.5° | 109.5° |
H7 | CAJ | H8 | 109.5° | 109.7° |
H12 | CAO | H13 | 109.5° | 109.5° |
H17 | CB | H18 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CZ | CE2 | CD2 | H22 | 180.0° | 179.8° |
CE2 | CZ | CE1 | H21 | 180.0° | 179.9° |
CZ | CE2 | CD2 | CG | 1.5° | 0.6° |
CE2 | CZ | CE1 | CD1 | 0.0° | 0.1° |
CE2 | CZ | CE1 | H20 | 180.0° | 180.0° |
CZ | CE2 | CD2 | H23 | 178.5° | 179.9° |
CD2 | CE2 | CZ | CE1 | 0.0° | 0.2° |
CE2 | CD2 | CG | H23 | 180.0° | 179.4° |
CE2 | CD2 | CG | CD1 | 2.9° | 0.6° |
CE2 | CD2 | CG | CB | 176.7° | 179.7° |
CD2 | CE2 | CZ | H21 | 180.0° | 179.7° |
CZ | CE1 | CD1 | H20 | 180.0° | 180.0° |
CZ | CE1 | CD1 | CG | 1.4° | 0.0° |
CZ | CE1 | CD1 | H19 | 178.6° | 180.0° |
CE1 | CZ | CE2 | H22 | 180.0° | 179.9° |
CD2 | CG | CD1 | CE1 | 2.9° | 0.3° |
CD2 | CG | CD1 | CB | 173.6° | 179.6° |
CD2 | CG | CB | CA | 159.8° | 90.3° |
CD2 | CG | CB | H17 | 38.6° | 149.7° |
CD2 | CG | CB | H18 | 79.0° | 29.6° |
CD2 | CG | CD1 | H19 | 177.1° | 179.7° |
CG | CD2 | CE2 | H22 | 178.5° | 179.6° |
CE1 | CD1 | CG | H19 | 180.0° | 180.0° |
CE1 | CD1 | CG | CB | 176.5° | 180.0° |
CD1 | CE1 | CZ | H21 | 180.0° | 180.0° |
CD1 | CG | CB | CA | 26.5° | 90.0° |
CD1 | CG | CB | H17 | 147.7° | 29.9° |
CD1 | CG | CB | H18 | 94.6° | 150.0° |
CG | CD1 | CE1 | H20 | 178.6° | 180.0° |
CD1 | CG | CD2 | H23 | 177.1° | 180.0° |
CG | CB | CA | H17 | 121.2° | 120.0° |
CG | CB | CA | H18 | 121.2° | 120.0° |
CG | CB | CA | C | 147.1° | 175.0° |
CG | CB | CA | N | 95.1° | 65.0° |
CG | CB | CA | H15 | 24.1° | 55.0° |
CG | CB | H17 | H18 | 116.3° | 120.0° |
CB | CG | CD1 | H19 | 3.5° | 0.0° |
CB | CG | CD2 | H23 | 3.3° | 0.4° |
OBF | CBD | CAK | CAL | 58.9° | 120.0° |
OBF | CBD | OBE | CAK | 178.0° | 179.9° |
OBF | CBD | CAK | CAJ | 179.1° | 0.0° |
OBF | CBD | CAK | H5 | 60.2° | 120.0° |
OBF | CBD | OBE | H6 | 0.0° | 0.0° |
CAM | CAL | CAK | H3 | 119.7° | 119.9° |
CAM | CAL | CAK | H4 | 119.6° | 120.0° |
CAL | CAM | CAI | H1 | 119.5° | 119.7° |
CAL | CAM | CAI | H2 | 119.5° | 119.9° |
CAM | CAL | CAK | CBD | 164.3° | 169.9° |
CAM | CAL | CAK | CAJ | 72.8° | 70.1° |
CAL | CAM | CAI | CAE | 158.3° | 163.6° |
CAL | CAM | CAI | CAH | 22.6° | 16.4° |
CAL | CAM | H1 | H2 | 121.6° | 120.6° |
CAM | CAL | H3 | H4 | 120.9° | 120.1° |
CAM | CAL | CAK | H5 | 45.3° | 49.9° |
CAK | CAL | CAM | CAI | 56.5° | 49.7° |
CAL | CAK | CBD | OBE | 122.9° | 60.0° |
CAL | CAK | CBD | CAJ | 120.2° | 120.0° |
CAL | CAK | CBD | H5 | 119.1° | 120.0° |
CAL | CAK | CAJ | H5 | 118.0° | 120.0° |
CAL | CAK | CAJ | CAH | 48.1° | 50.3° |
CAK | CAL | CAM | H1 | 176.0° | 169.4° |
CAK | CAL | CAM | H2 | 63.0° | 70.1° |
CAK | CAL | H3 | H4 | 121.0° | 120.1° |
CAL | CAK | CAJ | H7 | 168.1° | 170.0° |
CAL | CAK | CAJ | H8 | 71.8° | 69.5° |
CAM | CAI | CAE | CAH | 179.2° | 180.0° |
CAM | CAI | CAE | CAF | 0.5° | 0.1° |
CAM | CAI | CAH | CAJ | 1.1° | 0.1° |
CAM | CAI | CAE | CAD | 179.3° | 180.0° |
CAM | CAI | CAH | NAG | 179.7° | 179.9° |
CAI | CAM | H1 | H2 | 121.5° | 120.3° |
CAI | CAM | CAL | H3 | 176.2° | 169.6° |
CAI | CAM | CAL | H4 | 63.2° | 70.3° |
OBE | CBD | CAK | CAJ | 2.7° | 179.9° |
OBE | CBD | CAK | H5 | 118.0° | 60.0° |
CBD | CAK | CAJ | H5 | 120.3° | 120.0° |
CBD | CAK | CAJ | CAH | 169.8° | 170.2° |
CBD | CAK | CAL | H3 | 44.6° | 50.0° |
CBD | CAK | CAL | H4 | 76.1° | 70.1° |
CAK | CBD | OBE | H6 | 178.0° | 180.0° |
CBD | CAK | CAJ | H7 | 70.2° | 70.0° |
CBD | CAK | CAJ | H8 | 49.9° | 50.5° |
CB | CA | C | N | 115.3° | 120.0° |
CB | CA | C | H15 | 123.1° | 120.0° |
CB | CA | N | H15 | 119.0° | 120.0° |
CB | CA | C | O | 114.8° | 120.0° |
CB | CA | C | OXT | 66.7° | 60.0° |
CB | CA | N | CAP | 147.6° | 155.0° |
CB | CA | N | H14 | 32.5° | 25.0° |
CA | CB | H17 | H18 | 116.3° | 120.0° |
CAK | CAJ | CAH | CAI | 13.9° | 16.9° |
CAK | CAJ | CAH | H7 | 120.0° | 119.7° |
CAK | CAJ | CAH | H8 | 120.0° | 119.7° |
CAK | CAJ | CAH | NAG | 167.0° | 163.1° |
CAJ | CAK | CAL | H3 | 167.5° | 170.0° |
CAJ | CAK | CAL | H4 | 46.8° | 49.9° |
CAK | CAJ | H7 | H8 | 120.1° | 120.5° |
CAI | CAE | CAF | CAD | 179.8° | 179.9° |
CAI | CAE | CAF | CAA | 179.8° | 180.0° |
CAE | CAI | CAH | CAJ | 179.7° | 179.9° |
CAE | CAI | CAH | NAG | 0.5° | 0.1° |
CAI | CAE | CAD | NAG | 0.3° | 0.0° |
CAI | CAE | CAD | CAC | 179.7° | 180.0° |
CAE | CAI | CAM | H1 | 38.8° | 43.9° |
CAE | CAI | CAM | H2 | 82.2° | 76.5° |
CAI | CAE | CAF | H9 | 0.2° | 0.1° |
CAH | CAI | CAE | CAF | 179.7° | 179.9° |
CAI | CAH | CAJ | NAG | 179.0° | 180.0° |
CAH | CAI | CAE | CAD | 0.1° | 0.0° |
CAI | CAH | NAG | CAD | 0.7° | 0.1° |
CAI | CAH | NAG | CAO | 179.8° | 180.0° |
CAH | CAI | CAM | H1 | 142.1° | 136.2° |
CAH | CAI | CAM | H2 | 96.9° | 103.5° |
CAI | CAH | CAJ | H7 | 133.9° | 136.6° |
CAI | CAH | CAJ | H8 | 106.0° | 102.8° |
CAE | CAF | CAA | H9 | 180.0° | 180.0° |
CAE | CAF | CAA | BR | 179.7° | 180.0° |
CAE | CAF | CAA | CAB | 0.7° | 0.0° |
CAF | CAE | CAD | NAG | 179.9° | 180.0° |
CAF | CAE | CAD | CAC | 0.1° | 0.0° |
CAA | CAF | CAE | CAD | 0.4° | 0.0° |
CAF | CAA | BR | CAB | 179.6° | 180.0° |
CAF | CAA | CAB | CAC | 0.4° | 0.0° |
CAF | CAA | CAB | H10 | 179.6° | 180.0° |
C | CA | N | H15 | 121.3° | 120.0° |
CA | C | O | OXT | 178.4° | 180.0° |
C | CA | N | CAP | 92.7° | 84.9° |
C | CA | N | H14 | 87.3° | 95.0° |
CA | C | OXT | H16 | 178.4° | 180.0° |
C | CA | CB | H17 | 25.9° | 65.0° |
C | CA | CB | H18 | 91.7° | 55.0° |
N | CA | C | O | 130.0° | 0.1° |
N | CA | C | OXT | 48.6° | 180.0° |
CA | N | CAP | H14 | 180.0° | 180.0° |
CA | N | CAP | OAQ | 3.2° | 0.1° |
CA | N | CAP | CAO | 178.0° | 180.0° |
N | CA | CB | H17 | 143.7° | 55.0° |
N | CA | CB | H18 | 26.1° | 175.0° |
CAJ | CAH | NAG | CAD | 179.8° | 179.9° |
CAJ | CAH | NAG | CAO | 1.0° | 0.0° |
CAH | CAJ | CAK | H5 | 69.8° | 69.7° |
CAH | CAJ | H7 | H8 | 120.0° | 120.4° |
CAE | CAD | NAG | CAH | 0.6° | 0.1° |
CAE | CAD | NAG | CAC | 180.0° | 180.0° |
CAE | CAD | NAG | CAO | 179.8° | 180.0° |
CAE | CAD | CAC | CAB | 0.3° | 0.0° |
CAD | CAE | CAF | H9 | 179.6° | 180.0° |
CAE | CAD | CAC | H11 | 179.7° | 179.9° |
BR | CAA | CAB | CAC | 179.9° | 180.0° |
BR | CAA | CAF | H9 | 0.3° | 0.0° |
BR | CAA | CAB | H10 | 0.1° | 0.1° |
CAH | NAG | CAD | CAO | 179.2° | 179.9° |
CAH | NAG | CAD | CAC | 179.4° | 179.9° |
CAH | NAG | CAO | CAP | 72.8° | 90.0° |
NAG | CAH | CAJ | H7 | 47.0° | 43.4° |
NAG | CAH | CAJ | H8 | 73.0° | 77.1° |
CAH | NAG | CAO | H12 | 166.9° | 150.0° |
CAH | NAG | CAO | H13 | 47.6° | 30.0° |
CAA | CAB | CAC | CAD | 0.1° | 0.0° |
CAA | CAB | CAC | H10 | 180.0° | 179.9° |
CAB | CAA | CAF | H9 | 179.3° | 180.0° |
CAA | CAB | CAC | H11 | 179.9° | 179.9° |
O | C | CA | H15 | 8.4° | 120.0° |
O | C | OXT | H16 | 0.0° | 0.0° |
OXT | C | CA | H15 | 170.2° | 60.0° |
N | CAP | CAO | NAG | 38.9° | 180.0° |
N | CAP | OAQ | CAO | 178.7° | 179.9° |
N | CAP | CAO | H12 | 81.5° | 60.0° |
N | CAP | CAO | H13 | 159.3° | 60.0° |
CAP | N | CA | H15 | 28.6° | 35.0° |
NAG | CAD | CAC | CAB | 179.6° | 180.0° |
CAD | NAG | CAO | CAP | 108.2° | 90.1° |
NAG | CAD | CAC | H11 | 0.4° | 0.0° |
CAD | NAG | CAO | H12 | 12.2° | 29.9° |
CAD | NAG | CAO | H13 | 131.4° | 149.9° |
CAC | CAD | NAG | CAO | 0.2° | 0.0° |
CAD | CAC | CAB | H11 | 180.0° | 180.0° |
CAD | CAC | CAB | H10 | 179.9° | 180.0° |
NAG | CAO | CAP | OAQ | 142.3° | 0.0° |
NAG | CAO | CAP | H12 | 120.4° | 120.0° |
NAG | CAO | CAP | H13 | 120.4° | 120.0° |
NAG | CAO | H12 | H13 | 118.8° | 120.1° |
OAQ | CAP | CAO | H12 | 97.3° | 119.9° |
OAQ | CAP | CAO | H13 | 21.9° | 120.1° |
OAQ | CAP | N | H14 | 176.8° | 179.9° |
CAP | CAO | H12 | H13 | 118.8° | 120.0° |
CAO | CAP | N | H14 | 2.0° | 0.0° |
H1 | CAM | CAL | H3 | 64.3° | 70.7° |
H1 | CAM | CAL | H4 | 56.3° | 49.4° |
H2 | CAM | CAL | H3 | 56.7° | 49.8° |
H2 | CAM | CAL | H4 | 177.4° | 169.9° |
H3 | CAL | CAK | H5 | 74.3° | 70.0° |
H4 | CAL | CAK | H5 | 165.0° | 169.9° |
H5 | CAK | CAJ | H7 | 50.1° | 50.0° |
H5 | CAK | CAJ | H8 | 170.2° | 170.6° |
H10 | CAB | CAC | H11 | 0.1° | 0.0° |
H14 | N | CA | H15 | 151.4° | 145.0° |
H15 | CA | CB | H17 | 97.1° | 175.0° |
H15 | CA | CB | H18 | 145.2° | 65.0° |
H19 | CD1 | CE1 | H20 | 1.4° | 0.0° |
H20 | CE1 | CZ | H21 | 0.0° | 0.0° |
H21 | CZ | CE2 | H22 | 0.0° | 0.1° |
H22 | CE2 | CD2 | H23 | 1.5° | 0.2° |