1VC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAM | doub | 1.38Å | 1.37Å | Aromatic |
| CAI | CAH | sing | 1.39Å | 1.39Å | Aromatic |
| CAM | CBA | sing | 1.39Å | 1.36Å | Aromatic |
| CAH | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| OAD | CAY | doub | 1.22Å | 1.24Å | |
| CBA | CAY | sing | 1.47Å | 1.42Å | |
| CBA | CAZ | doub | 1.41Å | 1.43Å | Aromatic |
| CAY | NAS | sing | 1.35Å | 1.38Å | |
| CAL | CAZ | sing | 1.40Å | 1.37Å | Aromatic |
| CAZ | NAQ | sing | 1.36Å | 1.31Å | |
| NAS | CAX | sing | 1.36Å | 1.44Å | |
| CE2 | CD2 | doub | 1.38Å | 1.38Å | Aromatic |
| CE2 | CZ | sing | 1.38Å | 1.40Å | Aromatic |
| NAQ | CAX | doub | 1.30Å | 1.34Å | |
| CAN | CAU | sing | 1.51Å | 1.42Å | |
| CAN | CAO | sing | 1.53Å | 1.47Å | |
| CAX | CAO | sing | 1.51Å | 1.28Å | |
| CD2 | CG | sing | 1.38Å | 1.38Å | Aromatic |
| OAB | CAU | doub | 1.21Å | 1.22Å | |
| CZ | CE1 | doub | 1.38Å | 1.38Å | Aromatic |
| CAU | N | sing | 1.35Å | 1.33Å | |
| CG | CB | sing | 1.51Å | 1.30Å | |
| CG | CD1 | doub | 1.38Å | 1.36Å | Aromatic |
| N | CA | sing | 1.46Å | 1.43Å | |
| CE1 | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
| CB | CA | sing | 1.53Å | 1.55Å | |
| CA | C | sing | 1.51Å | 1.58Å | |
| OAT | C | sing | 1.34Å | 1.37Å | |
| OAT | CAA | sing | 1.45Å | 1.44Å | |
| C | O | doub | 1.21Å | 1.27Å | |
| CD1 | H1 | sing | 1.08Å | 1.08Å | |
| CE1 | H2 | sing | 1.08Å | 1.08Å | |
| CZ | H3 | sing | 1.08Å | 1.08Å | |
| CE2 | H4 | sing | 1.08Å | 1.08Å | |
| CD2 | H5 | sing | 1.08Å | 1.08Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CA | H8 | sing | 1.09Å | 1.10Å | |
| CAA | H9 | sing | 1.09Å | 1.10Å | |
| CAA | H10 | sing | 1.09Å | 1.10Å | |
| CAA | H11 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| CAN | H13 | sing | 1.09Å | 1.10Å | |
| CAN | H14 | sing | 1.09Å | 1.10Å | |
| CAO | H15 | sing | 1.09Å | 1.10Å | |
| CAO | H16 | sing | 1.09Å | 1.10Å | |
| CAL | H17 | sing | 1.08Å | 1.08Å | |
| CAH | H18 | sing | 1.08Å | 1.08Å | |
| CAI | H19 | sing | 1.08Å | 1.08Å | |
| CAM | H20 | sing | 1.08Å | 1.08Å | |
| NAS | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAM | CAI | CAH | 119.0° | 120.6° |
| CAI | CAM | CBA | 121.6° | 119.5° |
| CAM | CAI | H19 | 120.5° | 119.7° |
| CAI | CAM | H20 | 119.2° | 120.3° |
| CAI | CAH | CAL | 121.8° | 120.8° |
| CAI | CAH | H18 | 119.1° | 119.6° |
| CAH | CAI | H19 | 120.5° | 119.7° |
| CAM | CBA | CAY | 120.4° | 121.9° |
| CAM | CBA | CAZ | 118.4° | 120.1° |
| CBA | CAM | H20 | 119.2° | 120.2° |
| CAH | CAL | CAZ | 117.8° | 119.6° |
| CAH | CAL | H17 | 121.1° | 120.2° |
| CAL | CAH | H18 | 119.1° | 119.5° |
| OAD | CAY | CBA | 125.0° | 121.3° |
| OAD | CAY | NAS | 119.0° | 121.3° |
| CAY | CBA | CAZ | 121.3° | 118.0° |
| CBA | CAY | NAS | 116.0° | 117.4° |
| CBA | CAZ | CAL | 121.5° | 119.4° |
| CBA | CAZ | NAQ | 122.8° | 119.0° |
| CAY | NAS | CAX | 117.7° | 120.6° |
| CAY | NAS | H21 | 121.2° | 119.7° |
| CAL | CAZ | NAQ | 115.7° | 121.6° |
| CAZ | CAL | H17 | 121.1° | 120.2° |
| CAZ | NAQ | CAX | 115.7° | 121.6° |
| NAS | CAX | NAQ | 126.5° | 123.3° |
| NAS | CAX | CAO | 119.2° | 118.3° |
| CAX | NAS | H21 | 121.1° | 119.7° |
| CD2 | CE2 | CZ | 120.4° | 120.0° |
| CE2 | CD2 | CG | 118.6° | 120.0° |
| CD2 | CE2 | H4 | 119.8° | 120.0° |
| CE2 | CD2 | H5 | 120.7° | 120.0° |
| CE2 | CZ | CE1 | 119.9° | 120.0° |
| CE2 | CZ | H3 | 120.1° | 120.0° |
| CZ | CE2 | H4 | 119.8° | 120.0° |
| NAQ | CAX | CAO | 114.2° | 118.3° |
| CAU | CAN | CAO | 102.4° | 109.5° |
| CAN | CAU | OAB | 115.5° | 120.0° |
| CAN | CAU | N | 113.1° | 120.0° |
| CAU | CAN | H13 | 111.2° | 109.5° |
| CAU | CAN | H14 | 111.2° | 109.5° |
| CAN | CAO | CAX | 105.2° | 109.5° |
| CAO | CAN | H13 | 111.2° | 109.4° |
| CAO | CAN | H14 | 111.2° | 109.5° |
| CAN | CAO | H15 | 110.5° | 109.5° |
| CAN | CAO | H16 | 110.5° | 109.5° |
| CAX | CAO | H15 | 110.5° | 109.4° |
| CAX | CAO | H16 | 110.5° | 109.5° |
| CD2 | CG | CB | 122.7° | 120.0° |
| CD2 | CG | CD1 | 121.6° | 120.0° |
| CG | CD2 | H5 | 120.7° | 120.0° |
| OAB | CAU | N | 131.4° | 120.0° |
| CZ | CE1 | CD1 | 119.4° | 120.0° |
| CZ | CE1 | H2 | 120.3° | 120.0° |
| CE1 | CZ | H3 | 120.1° | 120.0° |
| CAU | N | CA | 128.6° | 120.0° |
| CAU | N | H12 | 115.7° | 120.0° |
| CB | CG | CD1 | 115.7° | 120.0° |
| CG | CB | CA | 108.0° | 109.5° |
| CG | CB | H6 | 109.9° | 109.5° |
| CG | CB | H7 | 109.8° | 109.5° |
| CG | CD1 | CE1 | 120.1° | 120.0° |
| CG | CD1 | H1 | 119.9° | 120.0° |
| N | CA | CB | 106.9° | 109.5° |
| N | CA | C | 105.8° | 109.5° |
| N | CA | H8 | 101.2° | 109.5° |
| CA | N | H12 | 115.7° | 120.0° |
| CE1 | CD1 | H1 | 119.9° | 120.1° |
| CD1 | CE1 | H2 | 120.3° | 119.9° |
| CB | CA | C | 136.9° | 109.5° |
| CA | CB | H6 | 109.8° | 109.5° |
| CA | CB | H7 | 109.8° | 109.5° |
| CB | CA | H8 | 100.3° | 109.4° |
| CA | C | OAT | 120.4° | 120.0° |
| CA | C | O | 117.8° | 120.0° |
| C | CA | H8 | 100.1° | 109.5° |
| C | OAT | CAA | 107.3° | 117.0° |
| OAT | C | O | 121.8° | 120.0° |
| OAT | CAA | H9 | 109.5° | 109.5° |
| OAT | CAA | H10 | 109.5° | 109.5° |
| OAT | CAA | H11 | 109.5° | 109.4° |
| H6 | CB | H7 | 109.5° | 109.4° |
| H9 | CAA | H10 | 109.5° | 109.5° |
| H9 | CAA | H11 | 109.5° | 109.4° |
| H10 | CAA | H11 | 109.5° | 109.5° |
| H13 | CAN | H14 | 109.5° | 109.5° |
| H15 | CAO | H16 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAM | CAI | CAH | H19 | 180.0° | 179.9° |
| CAI | CAM | CBA | H20 | 180.0° | 179.9° |
| CAM | CAI | CAH | CAL | 1.8° | 0.1° |
| CAI | CAM | CBA | CAY | 178.2° | 180.0° |
| CAI | CAM | CBA | CAZ | 1.5° | 0.1° |
| CAM | CAI | CAH | H18 | 178.2° | 180.0° |
| CAH | CAI | CAM | CBA | 2.4° | 0.1° |
| CAI | CAH | CAL | H18 | 180.0° | 179.9° |
| CAI | CAH | CAL | CAZ | 0.5° | 0.1° |
| CAI | CAH | CAL | H17 | 179.6° | 180.0° |
| CAH | CAI | CAM | H20 | 177.6° | 179.9° |
| CAM | CBA | CAY | OAD | 2.2° | 0.0° |
| CAM | CBA | CAY | CAZ | 179.7° | 180.0° |
| CAM | CBA | CAY | NAS | 178.0° | 179.8° |
| CAM | CBA | CAZ | CAL | 0.1° | 0.0° |
| CAM | CBA | CAZ | NAQ | 179.4° | 179.9° |
| CBA | CAM | CAI | H19 | 177.6° | 180.0° |
| CAH | CAL | CAZ | CBA | 0.4° | 0.0° |
| CAH | CAL | CAZ | H17 | 180.0° | 179.9° |
| CAH | CAL | CAZ | NAQ | 178.9° | 179.9° |
| CAL | CAH | CAI | H19 | 178.1° | 180.0° |
| OAD | CAY | CBA | NAS | 179.8° | 179.8° |
| OAD | CAY | CBA | CAZ | 178.1° | 180.0° |
| OAD | CAY | NAS | CAX | 178.3° | 179.8° |
| OAD | CAY | NAS | H21 | 1.7° | 0.2° |
| CAY | CBA | CAZ | CAL | 179.6° | 180.0° |
| CAY | CBA | CAZ | NAQ | 0.3° | 0.0° |
| CBA | CAY | NAS | CAX | 1.4° | 0.4° |
| CAY | CBA | CAM | H20 | 1.8° | 0.0° |
| CBA | CAY | NAS | H21 | 178.5° | 180.0° |
| CAZ | CBA | CAY | NAS | 1.6° | 0.2° |
| CBA | CAZ | CAL | NAQ | 179.4° | 180.0° |
| CBA | CAZ | NAQ | CAX | 1.2° | 0.1° |
| CBA | CAZ | CAL | H17 | 179.5° | 180.0° |
| CAZ | CBA | CAM | H20 | 178.5° | 180.0° |
| CAY | NAS | CAX | H21 | 180.0° | 179.5° |
| CAY | NAS | CAX | NAQ | 0.0° | 0.4° |
| CAY | NAS | CAX | CAO | 178.7° | 179.7° |
| CAL | CAZ | NAQ | CAX | 178.2° | 180.0° |
| CAZ | CAL | CAH | H18 | 179.5° | 180.0° |
| CAZ | NAQ | CAX | NAS | 1.4° | 0.2° |
| CAZ | NAQ | CAX | CAO | 177.4° | 180.0° |
| NAQ | CAZ | CAL | H17 | 1.1° | 0.0° |
| NAS | CAX | NAQ | CAO | 178.8° | 179.8° |
| NAS | CAX | CAO | CAN | 92.6° | 179.8° |
| NAS | CAX | CAO | H15 | 148.0° | 59.8° |
| NAS | CAX | CAO | H16 | 26.7° | 60.2° |
| CD2 | CE2 | CZ | H4 | 180.0° | 179.8° |
| CE2 | CD2 | CG | H5 | 180.0° | 179.7° |
| CD2 | CE2 | CZ | CE1 | 1.4° | 0.1° |
| CE2 | CD2 | CG | CB | 177.6° | 180.0° |
| CE2 | CD2 | CG | CD1 | 1.5° | 0.6° |
| CD2 | CE2 | CZ | H3 | 178.6° | 180.0° |
| CZ | CE2 | CD2 | CG | 2.2° | 0.2° |
| CE2 | CZ | CE1 | H3 | 180.0° | 179.9° |
| CE2 | CZ | CE1 | CD1 | 0.3° | 0.1° |
| CE2 | CZ | CE1 | H2 | 179.7° | 179.9° |
| CZ | CE2 | CD2 | H5 | 177.7° | 180.0° |
| NAQ | CAX | CAO | CAN | 88.5° | 0.1° |
| NAQ | CAX | CAO | H15 | 30.9° | 120.1° |
| NAQ | CAX | CAO | H16 | 152.2° | 120.0° |
| NAQ | CAX | NAS | H21 | 180.0° | 180.0° |
| CAU | CAN | CAO | H13 | 118.9° | 120.0° |
| CAU | CAN | CAO | H14 | 118.8° | 120.0° |
| CAU | CAN | CAO | CAX | 167.5° | 179.9° |
| CAN | CAU | OAB | N | 179.6° | 180.0° |
| CAN | CAU | N | CA | 179.6° | 180.0° |
| CAN | CAU | N | H12 | 0.4° | 0.0° |
| CAU | CAN | H13 | H14 | 123.3° | 120.0° |
| CAU | CAN | CAO | H15 | 73.2° | 60.0° |
| CAU | CAN | CAO | H16 | 48.1° | 60.0° |
| CAN | CAO | CAX | H15 | 119.4° | 120.0° |
| CAN | CAO | CAX | H16 | 119.3° | 120.1° |
| CAO | CAN | CAU | OAB | 118.8° | 0.0° |
| CAO | CAN | CAU | N | 61.4° | 180.0° |
| CAO | CAN | H13 | H14 | 123.3° | 120.0° |
| CAN | CAO | H15 | H16 | 121.9° | 120.1° |
| CAX | CAO | CAN | H13 | 48.6° | 60.0° |
| CAX | CAO | CAN | H14 | 73.7° | 60.0° |
| CAX | CAO | H15 | H16 | 122.0° | 119.9° |
| CAO | CAX | NAS | H21 | 1.3° | 0.2° |
| CD2 | CG | CB | CD1 | 179.2° | 179.4° |
| CD2 | CG | CD1 | CE1 | 0.1° | 0.6° |
| CD2 | CG | CB | CA | 83.7° | 90.0° |
| CD2 | CG | CD1 | H1 | 179.9° | 179.7° |
| CG | CD2 | CE2 | H4 | 177.8° | 180.0° |
| CD2 | CG | CB | H6 | 36.1° | 150.0° |
| CD2 | CG | CB | H7 | 156.6° | 30.0° |
| OAB | CAU | N | CA | 0.8° | 0.0° |
| OAB | CAU | N | H12 | 179.2° | 180.0° |
| OAB | CAU | CAN | H13 | 0.0° | 120.0° |
| OAB | CAU | CAN | H14 | 122.3° | 119.9° |
| CZ | CE1 | CD1 | CG | 1.0° | 0.3° |
| CZ | CE1 | CD1 | H2 | 180.0° | 180.0° |
| CZ | CE1 | CD1 | H1 | 179.0° | 180.0° |
| CE1 | CZ | CE2 | H4 | 178.7° | 179.7° |
| CAU | N | CA | H12 | 180.0° | 180.0° |
| CAU | N | CA | CB | 98.1° | 155.0° |
| CAU | N | CA | C | 53.5° | 85.0° |
| CAU | N | CA | H8 | 157.5° | 35.0° |
| N | CAU | CAN | H13 | 179.7° | 60.0° |
| N | CAU | CAN | H14 | 57.4° | 60.1° |
| CG | CB | CA | N | 94.7° | 65.0° |
| CB | CG | CD1 | CE1 | 179.3° | 180.0° |
| CG | CB | CA | H6 | 119.8° | 120.0° |
| CG | CB | CA | H7 | 119.8° | 120.0° |
| CG | CB | CA | C | 43.2° | 175.0° |
| CB | CG | CD1 | H1 | 0.7° | 0.3° |
| CB | CG | CD2 | H5 | 2.4° | 0.3° |
| CG | CB | H6 | H7 | 120.7° | 120.0° |
| CG | CB | CA | H8 | 160.2° | 55.0° |
| CG | CD1 | CE1 | H1 | 180.0° | 179.7° |
| CD1 | CG | CB | CA | 95.5° | 90.6° |
| CG | CD1 | CE1 | H2 | 178.9° | 179.7° |
| CD1 | CG | CD2 | H5 | 178.5° | 179.7° |
| CD1 | CG | CB | H6 | 144.7° | 29.5° |
| CD1 | CG | CB | H7 | 24.3° | 149.4° |
| N | CA | CB | C | 137.9° | 120.0° |
| N | CA | CB | H8 | 105.1° | 120.0° |
| N | CA | C | H8 | 104.7° | 120.0° |
| N | CA | C | OAT | 109.6° | 180.0° |
| N | CA | C | O | 70.8° | 0.0° |
| N | CA | CB | H6 | 25.1° | 175.0° |
| N | CA | CB | H7 | 145.5° | 55.0° |
| CD1 | CE1 | CZ | H3 | 179.7° | 179.9° |
| CB | CA | C | H8 | 117.1° | 120.0° |
| CB | CA | C | OAT | 28.6° | 60.0° |
| CB | CA | C | O | 151.0° | 120.0° |
| CA | CB | H6 | H7 | 120.7° | 120.0° |
| CB | CA | N | H12 | 81.9° | 25.0° |
| CA | C | OAT | O | 179.6° | 180.0° |
| CA | C | OAT | CAA | 110.8° | 180.0° |
| C | CA | CB | H6 | 163.0° | 55.0° |
| C | CA | CB | H7 | 76.6° | 65.0° |
| C | CA | N | H12 | 126.5° | 95.0° |
| OAT | C | CA | H8 | 145.7° | 60.0° |
| C | OAT | CAA | H9 | 180.0° | 180.0° |
| C | OAT | CAA | H10 | 60.0° | 60.0° |
| C | OAT | CAA | H11 | 60.0° | 60.1° |
| CAA | OAT | C | O | 68.8° | 0.0° |
| OAT | CAA | H9 | H10 | 120.0° | 120.0° |
| OAT | CAA | H9 | H11 | 120.0° | 119.9° |
| OAT | CAA | H10 | H11 | 120.0° | 120.0° |
| O | C | CA | H8 | 33.9° | 120.0° |
| H1 | CD1 | CE1 | H2 | 1.1° | 0.0° |
| H2 | CE1 | CZ | H3 | 0.3° | 0.0° |
| H3 | CZ | CE2 | H4 | 1.4° | 0.2° |
| H4 | CE2 | CD2 | H5 | 2.2° | 0.2° |
| H6 | CB | CA | H8 | 80.0° | 65.0° |
| H7 | CB | CA | H8 | 40.4° | 175.0° |
| H8 | CA | N | H12 | 22.5° | 145.0° |
| H9 | CAA | H10 | H11 | 120.0° | 120.0° |
| H13 | CAN | CAO | H15 | 168.0° | 179.9° |
| H13 | CAN | CAO | H16 | 70.7° | 60.0° |
| H14 | CAN | CAO | H15 | 45.7° | 59.9° |
| H14 | CAN | CAO | H16 | 167.0° | 180.0° |
| H17 | CAL | CAH | H18 | 0.4° | 0.1° |
| H18 | CAH | CAI | H19 | 1.8° | 0.1° |
| H19 | CAI | CAM | H20 | 2.4° | 0.0° |
