B2H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CG1 | CB1 | sing | 1.53Å | 1.50Å | |
| OG1 | CB1 | sing | 1.43Å | 1.42Å | |
| CB1 | CA1 | sing | 1.53Å | 1.54Å | |
| NE1 | CD1 | sing | 1.37Å | 1.38Å | Aromatic |
| NE1 | CE2 | sing | 1.38Å | 1.32Å | Aromatic |
| N1 | CA1 | sing | 1.47Å | 1.46Å | |
| CA1 | C1 | sing | 1.51Å | 1.47Å | |
| CD1 | CG2 | doub | 1.34Å | 1.32Å | Aromatic |
| CZ2 | CE2 | doub | 1.39Å | 1.46Å | Aromatic |
| CZ2 | CH2 | sing | 1.38Å | 1.38Å | Aromatic |
| CE2 | CD2 | sing | 1.41Å | 1.38Å | Aromatic |
| N2 | C1 | doub | 1.30Å | 1.39Å | Aromatic |
| N2 | CA2 | sing | 1.34Å | 1.36Å | Aromatic |
| C1 | N3 | sing | 1.36Å | 1.31Å | Aromatic |
| CH2 | CZ3 | doub | 1.39Å | 1.39Å | Aromatic |
| CG2 | CD2 | sing | 1.47Å | 1.46Å | Aromatic |
| CG2 | CB2 | sing | 1.51Å | 1.55Å | |
| CD2 | CE3 | doub | 1.40Å | 1.36Å | Aromatic |
| CA2 | CB2 | sing | 1.51Å | 1.48Å | |
| CA2 | C2 | doub | 1.35Å | 1.48Å | Aromatic |
| N3 | CA3 | sing | 1.46Å | 1.51Å | |
| N3 | C2 | sing | 1.37Å | 1.35Å | Aromatic |
| CZ3 | CE3 | sing | 1.37Å | 1.45Å | Aromatic |
| CA3 | C3 | sing | 1.51Å | 1.42Å | |
| C2 | O2 | sing | 1.36Å | 1.19Å | |
| C3 | O3 | doub | 1.21Å | 1.26Å | |
| N1 | H | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CB1 | H5 | sing | 1.09Å | 1.10Å | |
| CG1 | H6 | sing | 1.09Å | 1.10Å | |
| CG1 | H7 | sing | 1.09Å | 1.10Å | |
| CG1 | H8 | sing | 1.09Å | 1.10Å | |
| OG1 | H9 | sing | 0.97Å | 0.95Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| CB2 | H13 | sing | 1.09Å | 1.10Å | |
| CD1 | H14 | sing | 1.08Å | 1.08Å | |
| NE1 | H15 | sing | 0.97Å | 1.00Å | |
| CE3 | H16 | sing | 1.08Å | 1.08Å | |
| CZ2 | H17 | sing | 1.08Å | 1.08Å | |
| CZ3 | H18 | sing | 1.08Å | 1.08Å | |
| CH2 | H19 | sing | 1.08Å | 1.08Å | |
| C3 | OXT | sing | 1.34Å | 1.33Å | |
| O2 | H3 | sing | 0.97Å | 0.95Å | |
| CB2 | H12 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CG1 | CB1 | OG1 | 107.6° | 109.4° |
| CG1 | CB1 | CA1 | 111.6° | 109.5° |
| CG1 | CB1 | H5 | 109.4° | 109.5° |
| CB1 | CG1 | H6 | 109.5° | 109.5° |
| CB1 | CG1 | H7 | 109.5° | 109.5° |
| CB1 | CG1 | H8 | 109.5° | 109.5° |
| OG1 | CB1 | CA1 | 109.0° | 109.5° |
| OG1 | CB1 | H5 | 110.5° | 109.5° |
| CB1 | OG1 | H9 | 109.5° | 114.0° |
| CB1 | CA1 | N1 | 114.4° | 109.5° |
| CB1 | CA1 | C1 | 112.4° | 109.5° |
| CB1 | CA1 | HA1 | 107.6° | 109.5° |
| CA1 | CB1 | H5 | 108.8° | 109.5° |
| CD1 | NE1 | CE2 | 104.9° | 109.8° |
| NE1 | CD1 | CG2 | 112.7° | 110.0° |
| NE1 | CD1 | H14 | 123.7° | 125.0° |
| CD1 | NE1 | H15 | 127.6° | 125.1° |
| NE1 | CE2 | CZ2 | 128.5° | 133.5° |
| NE1 | CE2 | CD2 | 113.2° | 107.2° |
| CE2 | NE1 | H15 | 127.6° | 125.0° |
| N1 | CA1 | C1 | 105.3° | 109.5° |
| CA1 | N1 | H | 109.5° | 111.0° |
| CA1 | N1 | H2 | 109.5° | 111.0° |
| N1 | CA1 | HA1 | 108.6° | 109.4° |
| CA1 | C1 | N2 | 122.2° | 125.6° |
| CA1 | C1 | N3 | 126.9° | 125.7° |
| C1 | CA1 | HA1 | 108.4° | 109.5° |
| CD1 | CG2 | CD2 | 105.8° | 107.0° |
| CD1 | CG2 | CB2 | 132.9° | 126.5° |
| CG2 | CD1 | H14 | 123.6° | 125.1° |
| CE2 | CZ2 | CH2 | 114.2° | 119.7° |
| CZ2 | CE2 | CD2 | 118.3° | 119.4° |
| CE2 | CZ2 | H17 | 122.9° | 120.1° |
| CZ2 | CH2 | CZ3 | 127.6° | 120.7° |
| CH2 | CZ2 | H17 | 122.9° | 120.1° |
| CZ2 | CH2 | H19 | 116.2° | 119.6° |
| CE2 | CD2 | CG2 | 103.4° | 106.0° |
| CE2 | CD2 | CE3 | 126.8° | 119.9° |
| C1 | N2 | CA2 | 104.2° | 109.3° |
| N2 | C1 | N3 | 110.9° | 108.7° |
| N2 | CA2 | CB2 | 123.0° | 125.9° |
| N2 | CA2 | C2 | 110.4° | 108.2° |
| C1 | N3 | CA3 | 125.2° | 126.4° |
| C1 | N3 | C2 | 113.1° | 107.1° |
| CH2 | CZ3 | CE3 | 116.7° | 120.5° |
| CH2 | CZ3 | H18 | 121.6° | 119.8° |
| CZ3 | CH2 | H19 | 116.2° | 119.7° |
| CD2 | CG2 | CB2 | 121.3° | 126.5° |
| CG2 | CD2 | CE3 | 129.8° | 134.0° |
| CG2 | CB2 | CA2 | 118.2° | 109.4° |
| CG2 | CB2 | H13 | 107.3° | 109.5° |
| CG2 | CB2 | H12 | 107.3° | 109.5° |
| CD2 | CE3 | CZ3 | 116.4° | 119.8° |
| CD2 | CE3 | H16 | 121.8° | 120.1° |
| CB2 | CA2 | C2 | 126.6° | 125.9° |
| CA2 | CB2 | H13 | 107.2° | 109.5° |
| CA2 | CB2 | H12 | 107.2° | 109.5° |
| CA2 | C2 | N3 | 101.5° | 106.8° |
| CA2 | C2 | O2 | 130.1° | 126.7° |
| CA3 | N3 | C2 | 121.7° | 126.5° |
| N3 | CA3 | C3 | 121.8° | 109.5° |
| N3 | CA3 | HA31 | 106.3° | 109.5° |
| N3 | CA3 | HA32 | 106.3° | 109.5° |
| N3 | C2 | O2 | 128.5° | 126.6° |
| CZ3 | CE3 | H16 | 121.8° | 120.1° |
| CE3 | CZ3 | H18 | 121.6° | 119.7° |
| CA3 | C3 | O3 | 119.9° | 120.0° |
| C3 | CA3 | HA31 | 106.3° | 109.4° |
| C3 | CA3 | HA32 | 106.3° | 109.5° |
| CA3 | C3 | OXT | 118.9° | 120.0° |
| C2 | O2 | H3 | 109.5° | 114.0° |
| O3 | C3 | OXT | 121.1° | 120.0° |
| H | N1 | H2 | 109.5° | 111.0° |
| H6 | CG1 | H7 | 109.5° | 109.5° |
| H6 | CG1 | H8 | 109.5° | 109.4° |
| H7 | CG1 | H8 | 109.5° | 109.4° |
| HA31 | CA3 | HA32 | 109.5° | 109.5° |
| H13 | CB2 | H12 | 109.5° | 109.5° |
| C3 | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CG1 | CB1 | OG1 | CA1 | 121.1° | 120.0° |
| CG1 | CB1 | OG1 | H5 | 119.3° | 120.0° |
| CG1 | CB1 | CA1 | H5 | 120.7° | 120.0° |
| CG1 | CB1 | CA1 | N1 | 58.5° | 55.0° |
| CG1 | CB1 | CA1 | C1 | 178.5° | 175.0° |
| CG1 | CB1 | CA1 | HA1 | 62.2° | 65.0° |
| CB1 | CG1 | H6 | H7 | 120.0° | 120.1° |
| CB1 | CG1 | H6 | H8 | 120.0° | 120.0° |
| CB1 | CG1 | H7 | H8 | 120.0° | 120.0° |
| CG1 | CB1 | OG1 | H9 | 180.0° | 60.1° |
| OG1 | CB1 | CA1 | H5 | 120.6° | 120.0° |
| OG1 | CB1 | CA1 | N1 | 60.2° | 65.0° |
| OG1 | CB1 | CA1 | C1 | 59.8° | 55.0° |
| OG1 | CB1 | CA1 | HA1 | 179.1° | 175.1° |
| OG1 | CB1 | CG1 | H6 | 180.0° | 60.0° |
| OG1 | CB1 | CG1 | H7 | 60.0° | 60.0° |
| OG1 | CB1 | CG1 | H8 | 60.0° | 180.0° |
| CB1 | CA1 | N1 | C1 | 123.9° | 120.0° |
| CB1 | CA1 | N1 | HA1 | 120.2° | 119.9° |
| CB1 | CA1 | C1 | HA1 | 118.8° | 120.0° |
| CB1 | CA1 | C1 | N2 | 27.1° | 75.3° |
| CB1 | CA1 | C1 | N3 | 152.9° | 105.0° |
| CB1 | CA1 | N1 | H | 180.0° | 60.0° |
| CB1 | CA1 | N1 | H2 | 60.0° | 63.9° |
| CA1 | CB1 | CG1 | H6 | 60.5° | 60.0° |
| CA1 | CB1 | CG1 | H7 | 59.5° | 180.0° |
| CA1 | CB1 | CG1 | H8 | 179.5° | 60.0° |
| CA1 | CB1 | OG1 | H9 | 58.9° | 60.0° |
| CD1 | NE1 | CE2 | H15 | 180.0° | 179.7° |
| NE1 | CD1 | CG2 | H14 | 180.0° | 180.0° |
| CD1 | NE1 | CE2 | CZ2 | 180.0° | 179.9° |
| CD1 | NE1 | CE2 | CD2 | 0.0° | 0.4° |
| NE1 | CD1 | CG2 | CD2 | 0.1° | 0.0° |
| NE1 | CD1 | CG2 | CB2 | 180.0° | 179.8° |
| CE2 | NE1 | CD1 | CG2 | 0.0° | 0.3° |
| NE1 | CE2 | CZ2 | CD2 | 179.9° | 179.5° |
| NE1 | CE2 | CZ2 | CH2 | 180.0° | 179.5° |
| NE1 | CE2 | CD2 | CG2 | 0.1° | 0.3° |
| NE1 | CE2 | CD2 | CE3 | 180.0° | 179.6° |
| CE2 | NE1 | CD1 | H14 | 180.0° | 179.8° |
| NE1 | CE2 | CZ2 | H17 | 0.0° | 0.5° |
| N1 | CA1 | C1 | HA1 | 116.0° | 120.0° |
| N1 | CA1 | C1 | N2 | 98.1° | 44.7° |
| N1 | CA1 | C1 | N3 | 82.0° | 135.0° |
| CA1 | N1 | H | H2 | 120.0° | 123.9° |
| N1 | CA1 | CB1 | H5 | 179.3° | 175.0° |
| CA1 | C1 | N2 | N3 | 180.0° | 179.8° |
| CA1 | C1 | N2 | CA2 | 180.0° | 180.0° |
| CA1 | C1 | N3 | CA3 | 0.1° | 0.1° |
| CA1 | C1 | N3 | C2 | 180.0° | 180.0° |
| C1 | CA1 | N1 | H | 56.1° | 60.0° |
| C1 | CA1 | N1 | H2 | 63.9° | 176.1° |
| C1 | CA1 | CB1 | H5 | 60.7° | 65.0° |
| CD1 | CG2 | CD2 | CE2 | 0.1° | 0.2° |
| CD1 | CG2 | CD2 | CB2 | 180.0° | 179.8° |
| CD1 | CG2 | CD2 | CE3 | 180.0° | 179.7° |
| CD1 | CG2 | CB2 | CA2 | 7.2° | 94.7° |
| CD1 | CG2 | CB2 | H13 | 114.1° | 145.3° |
| CG2 | CD1 | NE1 | H15 | 180.0° | 180.0° |
| CD1 | CG2 | CB2 | H12 | 128.4° | 25.3° |
| CE2 | CZ2 | CH2 | H17 | 180.0° | 180.0° |
| CE2 | CZ2 | CH2 | CZ3 | 0.0° | 0.0° |
| CZ2 | CE2 | CD2 | CG2 | 180.0° | 180.0° |
| CZ2 | CE2 | CD2 | CE3 | 0.1° | 0.0° |
| CZ2 | CE2 | NE1 | H15 | 0.0° | 0.3° |
| CE2 | CZ2 | CH2 | H19 | 179.9° | 180.0° |
| CH2 | CZ2 | CE2 | CD2 | 0.1° | 0.0° |
| CZ2 | CH2 | CZ3 | H19 | 180.0° | 180.0° |
| CZ2 | CH2 | CZ3 | CE3 | 0.0° | 0.0° |
| CZ2 | CH2 | CZ3 | H18 | 180.0° | 180.0° |
| CE2 | CD2 | CG2 | CE3 | 179.9° | 179.9° |
| CE2 | CD2 | CG2 | CB2 | 180.0° | 180.0° |
| CE2 | CD2 | CE3 | CZ3 | 0.1° | 0.0° |
| CD2 | CE2 | NE1 | H15 | 179.9° | 179.9° |
| CE2 | CD2 | CE3 | H16 | 180.0° | 180.0° |
| CD2 | CE2 | CZ2 | H17 | 179.9° | 180.0° |
| C1 | N2 | CA2 | CB2 | 179.9° | 180.0° |
| C1 | N2 | CA2 | C2 | 0.0° | 0.1° |
| N2 | C1 | N3 | CA3 | 180.0° | 179.7° |
| N2 | C1 | N3 | C2 | 0.1° | 0.3° |
| N2 | C1 | CA1 | HA1 | 145.9° | 164.7° |
| CA2 | N2 | C1 | N3 | 0.0° | 0.2° |
| N2 | CA2 | CB2 | CG2 | 7.0° | 90.1° |
| N2 | CA2 | CB2 | C2 | 179.9° | 179.9° |
| N2 | CA2 | C2 | N3 | 0.1° | 0.0° |
| N2 | CA2 | C2 | O2 | 180.0° | 179.8° |
| N2 | CA2 | CB2 | H13 | 114.3° | 150.0° |
| N2 | CA2 | CB2 | H12 | 128.2° | 30.0° |
| C1 | N3 | C2 | CA2 | 0.1° | 0.2° |
| C1 | N3 | CA3 | C2 | 179.9° | 179.9° |
| C1 | N3 | CA3 | C3 | 87.6° | 90.1° |
| C1 | N3 | C2 | O2 | 180.0° | 180.0° |
| N3 | C1 | CA1 | HA1 | 34.1° | 15.1° |
| C1 | N3 | CA3 | HA31 | 150.7° | 150.0° |
| C1 | N3 | CA3 | HA32 | 34.1° | 30.0° |
| CH2 | CZ3 | CE3 | CD2 | 0.0° | 0.0° |
| CH2 | CZ3 | CE3 | H18 | 180.0° | 180.0° |
| CH2 | CZ3 | CE3 | H16 | 180.0° | 180.0° |
| CZ3 | CH2 | CZ2 | H17 | 180.0° | 180.0° |
| CD2 | CG2 | CB2 | CA2 | 172.9° | 85.0° |
| CG2 | CD2 | CE3 | CZ3 | 180.0° | 180.0° |
| CD2 | CG2 | CB2 | H13 | 65.9° | 35.0° |
| CD2 | CG2 | CD1 | H14 | 179.9° | 180.0° |
| CG2 | CD2 | CE3 | H16 | 0.1° | 0.1° |
| CD2 | CG2 | CB2 | H12 | 51.6° | 155.0° |
| CB2 | CG2 | CD2 | CE3 | 0.1° | 0.1° |
| CG2 | CB2 | CA2 | H13 | 121.3° | 120.0° |
| CG2 | CB2 | CA2 | H12 | 121.3° | 120.0° |
| CG2 | CB2 | CA2 | C2 | 172.9° | 89.8° |
| CG2 | CB2 | H13 | H12 | 116.1° | 120.0° |
| CB2 | CG2 | CD1 | H14 | 0.0° | 0.2° |
| CD2 | CE3 | CZ3 | H16 | 180.0° | 179.9° |
| CD2 | CE3 | CZ3 | H18 | 180.0° | 180.0° |
| CB2 | CA2 | C2 | N3 | 180.0° | 179.9° |
| CB2 | CA2 | C2 | O2 | 0.1° | 0.1° |
| CA2 | CB2 | H13 | H12 | 116.0° | 120.0° |
| CA2 | C2 | N3 | CA3 | 180.0° | 179.8° |
| CA2 | C2 | N3 | O2 | 180.0° | 179.8° |
| C2 | CA2 | CB2 | H13 | 65.8° | 30.2° |
| CA2 | C2 | O2 | H3 | 180.0° | 90.3° |
| C2 | CA2 | CB2 | H12 | 51.6° | 150.1° |
| N3 | CA3 | C3 | HA31 | 121.7° | 119.9° |
| N3 | CA3 | C3 | HA32 | 121.7° | 120.1° |
| CA3 | N3 | C2 | O2 | 0.1° | 0.0° |
| N3 | CA3 | C3 | O3 | 157.1° | 0.0° |
| N3 | CA3 | HA31 | HA32 | 114.4° | 120.0° |
| N3 | CA3 | C3 | OXT | 18.8° | 179.9° |
| C2 | N3 | CA3 | C3 | 92.5° | 90.0° |
| C2 | N3 | CA3 | HA31 | 29.2° | 29.9° |
| C2 | N3 | CA3 | HA32 | 145.8° | 149.9° |
| N3 | C2 | O2 | H3 | 0.1° | 90.0° |
| CE3 | CZ3 | CH2 | H19 | 180.0° | 180.0° |
| CA3 | C3 | O3 | OXT | 175.9° | 180.0° |
| C3 | CA3 | HA31 | HA32 | 114.5° | 120.0° |
| CA3 | C3 | OXT | HXT | 175.9° | 180.0° |
| O3 | C3 | CA3 | HA31 | 35.4° | 120.0° |
| O3 | C3 | CA3 | HA32 | 81.1° | 120.0° |
| O3 | C3 | OXT | HXT | 0.0° | 0.1° |
| H | N1 | CA1 | HA1 | 59.8° | 180.0° |
| H2 | N1 | CA1 | HA1 | 179.8° | 56.1° |
| HA1 | CA1 | CB1 | H5 | 58.5° | 55.1° |
| H5 | CB1 | CG1 | H6 | 59.9° | 180.0° |
| H5 | CB1 | CG1 | H7 | 179.9° | 60.0° |
| H5 | CB1 | CG1 | H8 | 60.1° | 60.1° |
| H5 | CB1 | OG1 | H9 | 60.7° | 180.0° |
| H6 | CG1 | H7 | H8 | 120.0° | 119.9° |
| HA31 | CA3 | C3 | OXT | 140.5° | 60.0° |
| HA32 | CA3 | C3 | OXT | 102.9° | 60.0° |
| H14 | CD1 | NE1 | H15 | 0.0° | 0.0° |
| H16 | CE3 | CZ3 | H18 | 0.0° | 0.0° |
| H17 | CZ2 | CH2 | H19 | 0.1° | 0.0° |
| H18 | CZ3 | CH2 | H19 | 0.1° | 0.0° |
