BXK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAE | CAQ | doub | 1.21Å | 1.25Å | |
| OAG | CAO | doub | 1.21Å | 1.25Å | |
| CAQ | OAI | sing | 1.34Å | 1.26Å | |
| CAQ | CAU | sing | 1.51Å | 1.55Å | |
| CAO | OAC | sing | 1.34Å | 1.26Å | |
| CAO | CAJ | sing | 1.51Å | 1.54Å | |
| CAK | CAJ | sing | 1.53Å | 1.55Å | |
| CAK | CAU | sing | 1.53Å | 1.54Å | |
| CAU | OAN | sing | 1.45Å | 1.44Å | |
| OAF | CAR | doub | 1.21Å | 1.25Å | |
| OAN | CAR | sing | 1.35Å | 1.37Å | |
| CAR | N | sing | 1.35Å | 1.34Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| CA | C | sing | 1.51Å | 1.56Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| OXT | C | doub | 1.21Å | 1.25Å | |
| C | O | sing | 1.34Å | 1.25Å | |
| CD2 | CG | sing | 1.53Å | 1.55Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CG | CD1 | sing | 1.53Å | 1.52Å | |
| OAC | H1 | sing | 0.97Å | 0.95Å | |
| CAJ | H2 | sing | 1.09Å | 1.10Å | |
| CAJ | H3 | sing | 1.09Å | 1.10Å | |
| CAK | H4 | sing | 1.09Å | 1.10Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| CAU | H6 | sing | 1.09Å | 1.10Å | |
| OAI | H7 | sing | 0.97Å | 0.95Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| CA | H9 | sing | 1.09Å | 1.10Å | |
| O | H10 | sing | 0.97Å | 0.95Å | |
| CB | H11 | sing | 1.09Å | 1.10Å | |
| CB | H12 | sing | 1.09Å | 1.10Å | |
| CG | H13 | sing | 1.09Å | 1.10Å | |
| CD2 | H14 | sing | 1.09Å | 1.10Å | |
| CD2 | H15 | sing | 1.09Å | 1.10Å | |
| CD2 | H16 | sing | 1.09Å | 1.10Å | |
| CD1 | H17 | sing | 1.09Å | 1.10Å | |
| CD1 | H18 | sing | 1.09Å | 1.10Å | |
| CD1 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAE | CAQ | OAI | 124.5° | 120.0° |
| OAE | CAQ | CAU | 115.4° | 120.0° |
| OAG | CAO | OAC | 125.0° | 120.0° |
| OAG | CAO | CAJ | 118.4° | 120.0° |
| OAI | CAQ | CAU | 120.1° | 119.9° |
| CAQ | OAI | H7 | 109.5° | 116.9° |
| CAQ | CAU | CAK | 109.2° | 109.5° |
| CAQ | CAU | OAN | 112.0° | 109.4° |
| CAQ | CAU | H6 | 107.9° | 109.5° |
| OAC | CAO | CAJ | 116.6° | 120.0° |
| CAO | OAC | H1 | 109.5° | 117.0° |
| CAO | CAJ | CAK | 114.1° | 109.5° |
| CAO | CAJ | H2 | 108.3° | 109.5° |
| CAO | CAJ | H3 | 108.3° | 109.5° |
| CAJ | CAK | CAU | 108.1° | 109.5° |
| CAK | CAJ | H2 | 108.3° | 109.4° |
| CAK | CAJ | H3 | 108.3° | 109.4° |
| CAJ | CAK | H4 | 109.8° | 109.5° |
| CAJ | CAK | H5 | 109.8° | 109.5° |
| CAK | CAU | OAN | 110.1° | 109.5° |
| CAU | CAK | H4 | 109.8° | 109.4° |
| CAU | CAK | H5 | 109.8° | 109.5° |
| CAK | CAU | H6 | 108.1° | 109.5° |
| CAU | OAN | CAR | 117.7° | 117.0° |
| OAN | CAU | H6 | 109.4° | 109.4° |
| OAF | CAR | OAN | 121.8° | 120.0° |
| OAF | CAR | N | 122.3° | 120.0° |
| OAN | CAR | N | 115.9° | 120.0° |
| CAR | N | CA | 127.2° | 120.0° |
| CAR | N | H8 | 116.4° | 120.0° |
| N | CA | C | 107.1° | 109.5° |
| N | CA | CB | 108.9° | 109.5° |
| CA | N | H8 | 116.4° | 120.0° |
| N | CA | H9 | 110.5° | 109.5° |
| C | CA | CB | 112.0° | 109.4° |
| CA | C | OXT | 116.0° | 120.0° |
| CA | C | O | 118.4° | 120.0° |
| C | CA | H9 | 109.1° | 109.4° |
| CA | CB | CG | 112.7° | 109.4° |
| CB | CA | H9 | 109.2° | 109.5° |
| CA | CB | H11 | 108.7° | 109.5° |
| CA | CB | H12 | 108.7° | 109.5° |
| OXT | C | O | 125.6° | 120.0° |
| C | O | H10 | 109.5° | 117.0° |
| CD2 | CG | CB | 111.2° | 109.5° |
| CD2 | CG | CD1 | 109.0° | 109.5° |
| CD2 | CG | H13 | 109.2° | 109.5° |
| CG | CD2 | H14 | 109.5° | 109.4° |
| CG | CD2 | H15 | 109.4° | 109.5° |
| CG | CD2 | H16 | 109.5° | 109.5° |
| CB | CG | CD1 | 108.7° | 109.5° |
| CG | CB | H11 | 108.6° | 109.5° |
| CG | CB | H12 | 108.7° | 109.5° |
| CB | CG | H13 | 109.3° | 109.5° |
| CD1 | CG | H13 | 109.5° | 109.4° |
| CG | CD1 | H17 | 109.5° | 109.5° |
| CG | CD1 | H18 | 109.5° | 109.5° |
| CG | CD1 | H19 | 109.5° | 109.5° |
| H2 | CAJ | H3 | 109.5° | 109.4° |
| H4 | CAK | H5 | 109.5° | 109.5° |
| H11 | CB | H12 | 109.5° | 109.5° |
| H14 | CD2 | H15 | 109.5° | 109.5° |
| H14 | CD2 | H16 | 109.5° | 109.4° |
| H15 | CD2 | H16 | 109.5° | 109.5° |
| H17 | CD1 | H18 | 109.5° | 109.5° |
| H17 | CD1 | H19 | 109.5° | 109.5° |
| H18 | CD1 | H19 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAE | CAQ | OAI | CAU | 177.8° | 180.0° |
| OAE | CAQ | CAU | CAK | 84.9° | 115.0° |
| OAE | CAQ | CAU | OAN | 152.9° | 5.0° |
| OAE | CAQ | CAU | H6 | 32.3° | 125.0° |
| OAE | CAQ | OAI | H7 | 0.0° | 0.0° |
| OAG | CAO | OAC | CAJ | 178.1° | 180.0° |
| OAG | CAO | CAJ | CAK | 16.4° | 0.0° |
| OAG | CAO | OAC | H1 | 0.0° | 0.0° |
| OAG | CAO | CAJ | H2 | 104.2° | 119.9° |
| OAG | CAO | CAJ | H3 | 137.1° | 120.0° |
| OAI | CAQ | CAU | CAK | 97.1° | 65.0° |
| OAI | CAQ | CAU | OAN | 25.1° | 175.0° |
| OAI | CAQ | CAU | H6 | 145.6° | 55.1° |
| CAQ | CAU | CAK | CAJ | 69.1° | 175.0° |
| CAQ | CAU | CAK | OAN | 123.4° | 120.0° |
| CAQ | CAU | CAK | H6 | 117.2° | 120.1° |
| CAQ | CAU | OAN | H6 | 119.7° | 120.0° |
| CAQ | CAU | OAN | CAR | 41.7° | 90.0° |
| CAQ | CAU | CAK | H4 | 171.1° | 55.0° |
| CAQ | CAU | CAK | H5 | 50.7° | 65.0° |
| CAU | CAQ | OAI | H7 | 177.8° | 180.0° |
| OAC | CAO | CAJ | CAK | 165.3° | 180.0° |
| OAC | CAO | CAJ | H2 | 74.0° | 60.0° |
| OAC | CAO | CAJ | H3 | 44.7° | 60.0° |
| CAO | CAJ | CAK | H2 | 120.7° | 120.1° |
| CAO | CAJ | CAK | H3 | 120.7° | 120.0° |
| CAO | CAJ | CAK | CAU | 162.3° | 180.0° |
| CAJ | CAO | OAC | H1 | 178.1° | 180.0° |
| CAO | CAJ | H2 | H3 | 117.9° | 120.1° |
| CAO | CAJ | CAK | H4 | 78.0° | 60.0° |
| CAO | CAJ | CAK | H5 | 42.5° | 60.0° |
| CAJ | CAK | CAU | H4 | 119.8° | 120.0° |
| CAJ | CAK | CAU | H5 | 119.8° | 120.0° |
| CAJ | CAK | CAU | OAN | 54.2° | 65.0° |
| CAK | CAJ | H2 | H3 | 117.9° | 119.9° |
| CAJ | CAK | H4 | H5 | 120.6° | 120.0° |
| CAJ | CAK | CAU | H6 | 173.7° | 55.0° |
| CAK | CAU | OAN | H6 | 118.7° | 120.0° |
| CAK | CAU | OAN | CAR | 163.4° | 150.0° |
| CAU | CAK | CAJ | H2 | 41.6° | 60.0° |
| CAU | CAK | CAJ | H3 | 77.1° | 59.9° |
| CAU | CAK | H4 | H5 | 120.6° | 120.0° |
| CAU | OAN | CAR | OAF | 26.3° | 0.1° |
| CAU | OAN | CAR | N | 156.0° | 180.0° |
| OAN | CAU | CAK | H4 | 65.5° | 175.0° |
| OAN | CAU | CAK | H5 | 174.1° | 55.0° |
| OAF | CAR | OAN | N | 177.7° | 180.0° |
| OAF | CAR | N | CA | 0.7° | 0.0° |
| OAF | CAR | N | H8 | 179.3° | 179.9° |
| OAN | CAR | N | CA | 176.9° | 180.0° |
| CAR | OAN | CAU | H6 | 78.0° | 30.0° |
| OAN | CAR | N | H8 | 3.0° | 0.0° |
| CAR | N | CA | H8 | 180.0° | 180.0° |
| CAR | N | CA | C | 164.2° | 85.0° |
| CAR | N | CA | CB | 74.5° | 155.0° |
| CAR | N | CA | H9 | 45.5° | 35.0° |
| N | CA | C | CB | 119.3° | 120.0° |
| N | CA | C | H9 | 119.6° | 120.0° |
| N | CA | CB | H9 | 120.8° | 120.1° |
| N | CA | C | OXT | 124.3° | 0.0° |
| N | CA | C | O | 56.9° | 180.0° |
| N | CA | CB | CG | 174.5° | 64.8° |
| N | CA | CB | H11 | 54.1° | 175.2° |
| N | CA | CB | H12 | 65.0° | 55.2° |
| C | CA | CB | H9 | 121.0° | 120.0° |
| CA | C | OXT | O | 178.7° | 180.0° |
| C | CA | CB | CG | 56.3° | 175.2° |
| C | CA | N | H8 | 15.9° | 95.0° |
| CA | C | O | H10 | 178.7° | 180.0° |
| C | CA | CB | H11 | 64.2° | 55.2° |
| C | CA | CB | H12 | 176.8° | 64.8° |
| CB | CA | C | OXT | 116.4° | 120.0° |
| CB | CA | C | O | 62.4° | 60.0° |
| CA | CB | CG | CD2 | 63.3° | 65.9° |
| CA | CB | CG | H11 | 120.5° | 120.0° |
| CA | CB | CG | H12 | 120.5° | 120.0° |
| CA | CB | CG | CD1 | 176.7° | 174.1° |
| CB | CA | N | H8 | 105.5° | 25.0° |
| CA | CB | H11 | H12 | 118.5° | 120.0° |
| CA | CB | CG | H13 | 57.3° | 54.1° |
| OXT | C | CA | H9 | 4.6° | 120.0° |
| OXT | C | O | H10 | 0.0° | 0.0° |
| O | C | CA | H9 | 176.6° | 60.0° |
| CD2 | CG | CB | CD1 | 120.0° | 120.0° |
| CD2 | CG | CB | H13 | 120.6° | 120.0° |
| CD2 | CG | CD1 | H13 | 119.3° | 120.0° |
| CD2 | CG | CB | H11 | 176.2° | 54.1° |
| CD2 | CG | CB | H12 | 57.2° | 174.1° |
| CG | CD2 | H14 | H15 | 120.0° | 120.0° |
| CG | CD2 | H14 | H16 | 120.0° | 119.9° |
| CG | CD2 | H15 | H16 | 120.0° | 120.0° |
| CD2 | CG | CD1 | H17 | 180.0° | 179.6° |
| CD2 | CG | CD1 | H18 | 60.0° | 59.6° |
| CD2 | CG | CD1 | H19 | 60.0° | 60.3° |
| CB | CG | CD1 | H13 | 119.3° | 120.0° |
| CG | CB | CA | H9 | 64.7° | 55.3° |
| CG | CB | H11 | H12 | 118.5° | 120.0° |
| CB | CG | CD2 | H14 | 180.0° | 60.0° |
| CB | CG | CD2 | H15 | 60.0° | 180.0° |
| CB | CG | CD2 | H16 | 60.0° | 60.0° |
| CB | CG | CD1 | H17 | 58.6° | 60.3° |
| CB | CG | CD1 | H18 | 61.4° | 179.6° |
| CB | CG | CD1 | H19 | 178.6° | 59.7° |
| CD1 | CG | CB | H11 | 56.2° | 65.9° |
| CD1 | CG | CB | H12 | 62.8° | 54.1° |
| CD1 | CG | CD2 | H14 | 60.2° | 60.0° |
| CD1 | CG | CD2 | H15 | 59.8° | 60.0° |
| CD1 | CG | CD2 | H16 | 179.7° | 180.0° |
| CG | CD1 | H17 | H18 | 120.0° | 120.0° |
| CG | CD1 | H17 | H19 | 120.0° | 120.0° |
| CG | CD1 | H18 | H19 | 120.0° | 120.0° |
| H2 | CAJ | CAK | H4 | 161.4° | 180.0° |
| H2 | CAJ | CAK | H5 | 78.2° | 60.0° |
| H3 | CAJ | CAK | H4 | 42.7° | 60.0° |
| H3 | CAJ | CAK | H5 | 163.1° | 179.9° |
| H4 | CAK | CAU | H6 | 53.9° | 65.1° |
| H5 | CAK | CAU | H6 | 66.5° | 175.0° |
| H8 | N | CA | H9 | 134.6° | 145.1° |
| H9 | CA | CB | H11 | 174.8° | 64.7° |
| H9 | CA | CB | H12 | 55.8° | 175.2° |
| H11 | CB | CG | H13 | 63.2° | 174.2° |
| H12 | CB | CG | H13 | 177.8° | 65.8° |
| H13 | CG | CD2 | H14 | 59.3° | 180.0° |
| H13 | CG | CD2 | H15 | 179.3° | 60.0° |
| H13 | CG | CD2 | H16 | 60.7° | 60.1° |
| H13 | CG | CD1 | H17 | 60.7° | 59.7° |
| H13 | CG | CD1 | H18 | 179.3° | 60.4° |
| H13 | CG | CD1 | H19 | 59.3° | 179.7° |
| H14 | CD2 | H15 | H16 | 120.0° | 120.0° |
| H17 | CD1 | H18 | H19 | 120.0° | 120.0° |
