4BR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA1 | CB1 | doub | 1.39Å | 1.39Å | Aromatic |
| CA1 | CB2 | sing | 1.40Å | 1.40Å | Aromatic |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CB1 | CG1 | sing | 1.39Å | 1.36Å | Aromatic |
| CB1 | HB1 | sing | 1.09Å | 1.10Å | |
| CG1 | CD | doub | 1.39Å | 1.41Å | Aromatic |
| CG1 | CH2 | sing | 1.49Å | 1.40Å | |
| CD | CG2 | sing | 1.39Å | 1.45Å | Aromatic |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CG2 | CB2 | doub | 1.39Å | 1.38Å | Aromatic |
| CG2 | HG2 | sing | 1.09Å | 1.10Å | |
| CB2 | O | sing | 1.36Å | 1.35Å | |
| O | CZ2 | sing | 1.43Å | 1.41Å | |
| CZ2 | CA2 | sing | 1.52Å | 1.52Å | |
| CZ2 | HZ21 | sing | 1.09Å | 1.11Å | |
| CZ2 | HZ22 | sing | 1.09Å | 1.11Å | |
| CA2 | P | sing | 1.81Å | 1.76Å | |
| CA2 | HA21 | sing | 1.10Å | 1.12Å | |
| CA2 | HA22 | sing | 1.09Å | 1.12Å | |
| P | OP1 | sing | 1.52Å | 1.51Å | |
| P | OP2 | doub | 1.52Å | 1.48Å | |
| CH2 | HH21 | sing | 1.10Å | 1.12Å | |
| CH2 | HH22 | sing | 1.10Å | 1.11Å | |
| CH2 | HH23 | sing | 1.10Å | 1.12Å | |
| HP1 | P | sing | 1.42Å | 1.42Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CB1 | CA1 | CB2 | 117.3° | 120.0° |
| CB1 | CA1 | HA1 | 121.1° | 119.7° |
| CA1 | CB1 | CG1 | 127.9° | 120.0° |
| CA1 | CB1 | HB1 | 117.3° | 119.5° |
| CB2 | CA1 | HA1 | 121.6° | 120.3° |
| CA1 | CB2 | CG2 | 120.3° | 120.0° |
| CA1 | CB2 | O | 108.5° | 120.0° |
| CG1 | CB1 | HB1 | 114.7° | 120.5° |
| CB1 | CG1 | CD | 112.3° | 120.0° |
| CB1 | CG1 | CH2 | 125.7° | 120.0° |
| CD | CG1 | CH2 | 122.0° | 120.0° |
| CG1 | CD | CG2 | 123.9° | 120.0° |
| CG1 | CD | HD | 116.7° | 120.6° |
| CG1 | CH2 | HH21 | 125.7° | 110.4° |
| CG1 | CH2 | HH22 | 106.5° | 111.3° |
| CG1 | CH2 | HH23 | 106.5° | 111.3° |
| CG2 | CD | HD | 119.4° | 119.5° |
| CD | CG2 | CB2 | 117.9° | 120.0° |
| CD | CG2 | HG2 | 123.4° | 119.6° |
| CB2 | CG2 | HG2 | 118.7° | 120.3° |
| CG2 | CB2 | O | 130.0° | 120.0° |
| CB2 | O | CZ2 | 119.2° | 117.1° |
| O | CZ2 | CA2 | 120.1° | 109.0° |
| O | CZ2 | HZ21 | 108.4° | 108.4° |
| O | CZ2 | HZ22 | 108.4° | 108.7° |
| CA2 | CZ2 | HZ21 | 108.4° | 110.4° |
| CA2 | CZ2 | HZ22 | 108.4° | 110.9° |
| CZ2 | CA2 | P | 114.4° | 112.4° |
| CZ2 | CA2 | HA21 | 110.4° | 110.6° |
| CZ2 | CA2 | HA22 | 110.4° | 110.0° |
| HZ21 | CZ2 | HZ22 | 101.6° | 109.4° |
| P | CA2 | HA21 | 110.4° | 107.5° |
| P | CA2 | HA22 | 110.4° | 107.7° |
| CA2 | P | OP1 | 113.0° | 105.6° |
| CA2 | P | OP2 | 111.1° | 105.6° |
| CA2 | P | HP1 | 107.6° | 104.2° |
| HA21 | CA2 | HA22 | 99.8° | 108.6° |
| OP1 | P | OP2 | 114.0° | 118.4° |
| OP1 | P | HP1 | 104.2° | 110.8° |
| OP2 | P | HP1 | 106.4° | 110.9° |
| HH21 | CH2 | HH22 | 106.5° | 108.5° |
| HH21 | CH2 | HH23 | 106.5° | 108.5° |
| HH22 | CH2 | HH23 | 103.1° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CB1 | CA1 | CB2 | HA1 | 180.0° | 180.0° |
| CA1 | CB1 | CG1 | HB1 | 179.9° | 180.0° |
| CA1 | CB1 | CG1 | CD | 0.2° | 0.0° |
| CA1 | CB1 | CG1 | CH2 | 178.5° | 180.0° |
| CB1 | CA1 | CB2 | CG2 | 3.5° | 0.0° |
| CB1 | CA1 | CB2 | O | 172.4° | 179.9° |
| CB2 | CA1 | CB1 | CG1 | 0.1° | 0.0° |
| CB2 | CA1 | CB1 | HB1 | 179.8° | 179.9° |
| CA1 | CB2 | CG2 | CD | 6.2° | 0.0° |
| CA1 | CB2 | CG2 | O | 166.3° | 179.9° |
| CA1 | CB2 | CG2 | HG2 | 173.8° | 179.9° |
| CA1 | CB2 | O | CZ2 | 142.1° | 150.0° |
| HA1 | CA1 | CB1 | CG1 | 179.9° | 180.0° |
| HA1 | CA1 | CB1 | HB1 | 0.2° | 0.0° |
| HA1 | CA1 | CB2 | CG2 | 176.5° | 180.0° |
| HA1 | CA1 | CB2 | O | 7.6° | 0.1° |
| CB1 | CG1 | CD | CH2 | 178.8° | 180.0° |
| CB1 | CG1 | CD | CG2 | 2.8° | 0.0° |
| CB1 | CG1 | CD | HD | 177.1° | 180.0° |
| CB1 | CG1 | CH2 | HH21 | 180.0° | 129.6° |
| CB1 | CG1 | CH2 | HH22 | 54.7° | 9.0° |
| CB1 | CG1 | CH2 | HH23 | 54.7° | 110.0° |
| HB1 | CB1 | CG1 | CD | 179.9° | 179.9° |
| HB1 | CB1 | CG1 | CH2 | 1.4° | 0.1° |
| CG1 | CD | CG2 | HD | 180.0° | 180.0° |
| CG1 | CD | CG2 | CB2 | 6.1° | 0.0° |
| CG1 | CD | CG2 | HG2 | 173.9° | 179.9° |
| CD | CG1 | CH2 | HH21 | 1.4° | 50.4° |
| CD | CG1 | CH2 | HH22 | 126.7° | 171.0° |
| CD | CG1 | CH2 | HH23 | 123.9° | 70.0° |
| CH2 | CG1 | CD | CG2 | 178.4° | 180.0° |
| CH2 | CG1 | CD | HD | 1.6° | 0.0° |
| CG1 | CH2 | HH21 | HH22 | 125.3° | 122.2° |
| CG1 | CH2 | HH21 | HH23 | 125.2° | 122.1° |
| CG1 | CH2 | HH22 | HH23 | 111.8° | 121.6° |
| CD | CG2 | CB2 | HG2 | 180.0° | 179.9° |
| CD | CG2 | CB2 | O | 172.5° | 179.9° |
| HD | CD | CG2 | CB2 | 173.9° | 180.0° |
| HD | CD | CG2 | HG2 | 6.1° | 0.0° |
| CG2 | CB2 | O | CZ2 | 25.4° | 30.1° |
| HG2 | CG2 | CB2 | O | 7.6° | 0.0° |
| CB2 | O | CZ2 | CA2 | 175.6° | 150.2° |
| CB2 | O | CZ2 | HZ21 | 50.3° | 30.0° |
| CB2 | O | CZ2 | HZ22 | 59.2° | 88.8° |
| O | CZ2 | CA2 | HZ21 | 125.2° | 118.9° |
| O | CZ2 | CA2 | HZ22 | 125.2° | 119.7° |
| O | CZ2 | HZ21 | HZ22 | 114.0° | 118.4° |
| O | CZ2 | CA2 | P | 64.3° | 59.8° |
| O | CZ2 | CA2 | HA21 | 170.4° | 180.0° |
| O | CZ2 | CA2 | HA22 | 61.0° | 60.1° |
| CA2 | CZ2 | HZ21 | HZ22 | 114.1° | 122.3° |
| CZ2 | CA2 | P | HA21 | 125.3° | 121.9° |
| CZ2 | CA2 | P | HA22 | 125.2° | 121.3° |
| CZ2 | CA2 | HA21 | HA22 | 116.3° | 120.8° |
| CZ2 | CA2 | P | OP1 | 33.5° | 56.9° |
| CZ2 | CA2 | P | OP2 | 163.0° | 176.8° |
| CZ2 | CA2 | P | HP1 | 80.9° | 60.0° |
| HZ21 | CZ2 | CA2 | P | 61.0° | 59.1° |
| HZ21 | CZ2 | CA2 | HA21 | 64.3° | 61.1° |
| HZ21 | CZ2 | CA2 | HA22 | 173.8° | 179.0° |
| HZ22 | CZ2 | CA2 | P | 170.5° | 179.5° |
| HZ22 | CZ2 | CA2 | HA21 | 45.2° | 60.4° |
| HZ22 | CZ2 | CA2 | HA22 | 64.3° | 59.5° |
| P | CA2 | HA21 | HA22 | 116.2° | 116.2° |
| CA2 | P | OP1 | OP2 | 128.0° | 118.0° |
| CA2 | P | OP1 | HP1 | 116.5° | 112.2° |
| CA2 | P | OP2 | HP1 | 116.8° | 112.2° |
| HA21 | CA2 | P | OP1 | 91.8° | 65.0° |
| HA21 | CA2 | P | OP2 | 37.7° | 61.2° |
| HA21 | CA2 | P | HP1 | 153.8° | 178.1° |
| HA22 | CA2 | P | OP1 | 158.8° | 178.2° |
| HA22 | CA2 | P | OP2 | 71.7° | 55.6° |
| HA22 | CA2 | P | HP1 | 44.3° | 61.3° |
| OP1 | P | OP2 | HP1 | 114.3° | 129.7° |
| HH21 | CH2 | HH22 | HH23 | 111.9° | 116.7° |
