CQB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAI | CAQ | doub | 1.21Å | 1.24Å | |
| OAG | CAO | doub | 1.21Å | 1.25Å | |
| CAQ | OAE | sing | 1.34Å | 1.27Å | |
| CAQ | CAU | sing | 1.51Å | 1.55Å | |
| CAO | OAC | sing | 1.34Å | 1.25Å | |
| CAO | CAJ | sing | 1.51Å | 1.54Å | |
| CAK | CAJ | sing | 1.53Å | 1.55Å | |
| CAK | CAU | sing | 1.53Å | 1.55Å | |
| CAU | OAN | sing | 1.45Å | 1.44Å | |
| OAF | CAR | doub | 1.21Å | 1.24Å | |
| CD2 | CG | sing | 1.53Å | 1.53Å | |
| OAN | CAR | sing | 1.35Å | 1.36Å | |
| CAR | N | sing | 1.35Å | 1.34Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| CG | CD1 | sing | 1.53Å | 1.55Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| C | OXT | doub | 1.21Å | 1.27Å | |
| C | O | sing | 1.34Å | 1.26Å | |
| 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 | |
| OAE | 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) |
| OAI | CAQ | OAE | 125.4° | 120.0° |
| OAI | CAQ | CAU | 114.2° | 120.0° |
| OAG | CAO | OAC | 124.0° | 120.0° |
| OAG | CAO | CAJ | 119.3° | 120.0° |
| OAE | CAQ | CAU | 120.4° | 120.0° |
| CAQ | OAE | H7 | 109.5° | 117.0° |
| CAQ | CAU | CAK | 110.1° | 109.5° |
| CAQ | CAU | OAN | 112.4° | 109.5° |
| CAQ | CAU | H6 | 108.3° | 109.4° |
| OAC | CAO | CAJ | 116.6° | 120.0° |
| CAO | OAC | H1 | 109.5° | 117.0° |
| CAO | CAJ | CAK | 113.5° | 109.5° |
| CAO | CAJ | H2 | 108.5° | 109.5° |
| CAO | CAJ | H3 | 108.5° | 109.5° |
| CAJ | CAK | CAU | 110.4° | 109.5° |
| CAK | CAJ | H2 | 108.5° | 109.5° |
| CAK | CAJ | H3 | 108.4° | 109.5° |
| CAJ | CAK | H4 | 109.2° | 109.5° |
| CAJ | CAK | H5 | 109.2° | 109.5° |
| CAK | CAU | OAN | 107.6° | 109.5° |
| CAU | CAK | H4 | 109.2° | 109.5° |
| CAU | CAK | H5 | 109.2° | 109.4° |
| CAK | CAU | H6 | 108.4° | 109.5° |
| CAU | OAN | CAR | 116.6° | 117.0° |
| OAN | CAU | H6 | 109.9° | 109.5° |
| OAF | CAR | OAN | 119.1° | 120.0° |
| OAF | CAR | N | 124.2° | 120.0° |
| CD2 | CG | CB | 108.3° | 109.5° |
| CD2 | CG | CD1 | 107.8° | 109.5° |
| CD2 | CG | H13 | 110.6° | 109.4° |
| CG | CD2 | H14 | 109.5° | 109.5° |
| CG | CD2 | H15 | 109.5° | 109.5° |
| CG | CD2 | H16 | 109.5° | 109.5° |
| OAN | CAR | N | 116.6° | 120.0° |
| CAR | N | CA | 124.3° | 120.0° |
| CAR | N | H8 | 117.9° | 120.0° |
| CG | CB | CA | 112.5° | 109.5° |
| CB | CG | CD1 | 109.2° | 109.5° |
| CG | CB | H11 | 108.7° | 109.4° |
| CG | CB | H12 | 108.7° | 109.4° |
| CB | CG | H13 | 110.5° | 109.5° |
| CB | CA | N | 107.1° | 109.5° |
| CB | CA | C | 113.1° | 109.5° |
| CB | CA | H9 | 108.7° | 109.5° |
| CA | CB | H11 | 108.7° | 109.5° |
| CA | CB | H12 | 108.7° | 109.5° |
| CD1 | CG | H13 | 110.4° | 109.4° |
| CG | CD1 | H17 | 109.5° | 109.5° |
| CG | CD1 | H18 | 109.4° | 109.4° |
| CG | CD1 | H19 | 109.5° | 109.4° |
| N | CA | C | 109.5° | 109.4° |
| CA | N | H8 | 117.8° | 120.0° |
| N | CA | H9 | 109.7° | 109.4° |
| CA | C | OXT | 118.0° | 120.0° |
| CA | C | O | 117.4° | 120.0° |
| C | CA | H9 | 108.7° | 109.5° |
| OXT | C | O | 124.6° | 120.0° |
| C | O | H10 | 109.5° | 117.0° |
| 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 | 109.4° | 109.5° |
| H18 | CD1 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAI | CAQ | OAE | CAU | 178.6° | 180.0° |
| OAI | CAQ | CAU | CAK | 83.9° | 115.0° |
| OAI | CAQ | CAU | OAN | 156.2° | 5.0° |
| OAI | CAQ | CAU | H6 | 34.6° | 125.0° |
| OAI | CAQ | OAE | H7 | 0.0° | 0.0° |
| OAG | CAO | OAC | CAJ | 174.9° | 180.0° |
| OAG | CAO | CAJ | CAK | 20.6° | 0.0° |
| OAG | CAO | OAC | H1 | 0.0° | 0.0° |
| OAG | CAO | CAJ | H2 | 100.0° | 120.0° |
| OAG | CAO | CAJ | H3 | 141.2° | 120.0° |
| OAE | CAQ | CAU | CAK | 97.4° | 65.0° |
| OAE | CAQ | CAU | OAN | 22.6° | 175.0° |
| OAE | CAQ | CAU | H6 | 144.2° | 55.0° |
| CAQ | CAU | CAK | CAJ | 67.8° | 175.0° |
| CAQ | CAU | CAK | OAN | 122.8° | 120.0° |
| CAQ | CAU | CAK | H6 | 118.4° | 120.0° |
| CAQ | CAU | OAN | H6 | 120.7° | 120.0° |
| CAQ | CAU | OAN | CAR | 41.4° | 90.0° |
| CAQ | CAU | CAK | H4 | 172.1° | 55.0° |
| CAQ | CAU | CAK | H5 | 52.3° | 65.0° |
| CAU | CAQ | OAE | H7 | 178.6° | 179.9° |
| OAC | CAO | CAJ | CAK | 164.3° | 180.0° |
| OAC | CAO | CAJ | H2 | 75.2° | 60.0° |
| OAC | CAO | CAJ | H3 | 43.7° | 60.0° |
| CAO | CAJ | CAK | H2 | 120.6° | 120.0° |
| CAO | CAJ | CAK | H3 | 120.6° | 120.0° |
| CAO | CAJ | CAK | CAU | 160.3° | 180.0° |
| CAJ | CAO | OAC | H1 | 174.9° | 180.0° |
| CAO | CAJ | H2 | H3 | 118.2° | 120.0° |
| CAO | CAJ | CAK | H4 | 79.6° | 60.0° |
| CAO | CAJ | CAK | H5 | 40.2° | 60.0° |
| CAJ | CAK | CAU | H4 | 120.1° | 120.0° |
| CAJ | CAK | CAU | H5 | 120.1° | 120.0° |
| CAJ | CAK | CAU | OAN | 55.0° | 65.0° |
| CAK | CAJ | H2 | H3 | 118.2° | 120.0° |
| CAJ | CAK | H4 | H5 | 119.6° | 120.0° |
| CAJ | CAK | CAU | H6 | 173.8° | 55.0° |
| CAK | CAU | OAN | H6 | 117.9° | 120.0° |
| CAK | CAU | OAN | CAR | 162.8° | 150.0° |
| CAU | CAK | CAJ | H2 | 39.7° | 60.0° |
| CAU | CAK | CAJ | H3 | 79.1° | 60.0° |
| CAU | CAK | H4 | H5 | 119.6° | 119.9° |
| CAU | OAN | CAR | OAF | 29.2° | 0.0° |
| CAU | OAN | CAR | N | 152.9° | 180.0° |
| OAN | CAU | CAK | H4 | 65.1° | 175.0° |
| OAN | CAU | CAK | H5 | 175.1° | 55.0° |
| OAF | CAR | OAN | N | 177.9° | 180.0° |
| OAF | CAR | N | CA | 0.0° | 0.0° |
| OAF | CAR | N | H8 | 180.0° | 180.0° |
| CD2 | CG | CB | CD1 | 117.1° | 120.0° |
| CD2 | CG | CB | H13 | 121.3° | 120.0° |
| CD2 | CG | CB | CA | 176.2° | 174.1° |
| CD2 | CG | CD1 | H13 | 120.9° | 119.9° |
| CD2 | CG | CB | H11 | 55.8° | 54.2° |
| CD2 | CG | CB | H12 | 63.3° | 65.9° |
| CG | CD2 | H14 | H15 | 120.0° | 120.1° |
| CG | CD2 | H14 | H16 | 120.0° | 120.0° |
| CG | CD2 | H15 | H16 | 120.0° | 120.0° |
| CD2 | CG | CD1 | H17 | 180.0° | 180.0° |
| CD2 | CG | CD1 | H18 | 60.0° | 60.0° |
| CD2 | CG | CD1 | H19 | 60.0° | 60.0° |
| OAN | CAR | N | CA | 177.8° | 180.0° |
| CAR | OAN | CAU | H6 | 79.3° | 30.0° |
| OAN | CAR | N | H8 | 2.2° | 0.0° |
| CAR | N | CA | CB | 89.9° | 155.0° |
| CAR | N | CA | H8 | 180.0° | 180.0° |
| CAR | N | CA | C | 147.1° | 85.0° |
| CAR | N | CA | H9 | 27.8° | 35.0° |
| CG | CB | CA | H11 | 120.5° | 119.9° |
| CG | CB | CA | H12 | 120.4° | 120.0° |
| CB | CG | CD1 | H13 | 121.6° | 120.0° |
| CG | CB | CA | N | 169.7° | 63.4° |
| CG | CB | CA | C | 49.0° | 176.7° |
| CG | CB | CA | H9 | 71.8° | 56.7° |
| CG | CB | H11 | H12 | 118.6° | 120.0° |
| CB | CG | CD2 | H14 | 180.0° | 57.2° |
| CB | CG | CD2 | H15 | 60.0° | 177.2° |
| CB | CG | CD2 | H16 | 60.0° | 62.8° |
| CB | CG | CD1 | H17 | 62.6° | 60.0° |
| CB | CG | CD1 | H18 | 57.5° | 180.0° |
| CB | CG | CD1 | H19 | 177.5° | 60.0° |
| CA | CB | CG | CD1 | 66.6° | 65.8° |
| CB | CA | N | C | 123.0° | 120.0° |
| CB | CA | N | H9 | 117.8° | 120.1° |
| CB | CA | C | H9 | 120.8° | 120.0° |
| CB | CA | C | OXT | 69.4° | 120.0° |
| CB | CA | C | O | 111.5° | 60.0° |
| CB | CA | N | H8 | 90.1° | 25.0° |
| CA | CB | H11 | H12 | 118.7° | 120.1° |
| CA | CB | CG | H13 | 54.9° | 54.1° |
| CD1 | CG | CB | H11 | 172.9° | 174.2° |
| CD1 | CG | CB | H12 | 53.8° | 54.2° |
| CD1 | CG | CD2 | H14 | 61.9° | 62.9° |
| CD1 | CG | CD2 | H15 | 58.1° | 57.2° |
| CD1 | CG | CD2 | H16 | 178.0° | 177.2° |
| CG | CD1 | H17 | H18 | 120.0° | 120.0° |
| CG | CD1 | H17 | H19 | 120.0° | 119.9° |
| CG | CD1 | H18 | H19 | 120.0° | 119.9° |
| N | CA | C | H9 | 119.9° | 119.9° |
| N | CA | C | OXT | 49.9° | 0.0° |
| N | CA | C | O | 129.2° | 180.0° |
| N | CA | CB | H11 | 49.3° | 56.6° |
| N | CA | CB | H12 | 69.8° | 176.7° |
| CA | C | OXT | O | 179.0° | 179.9° |
| C | CA | N | H8 | 32.9° | 95.0° |
| CA | C | O | H10 | 179.1° | 180.0° |
| C | CA | CB | H11 | 71.4° | 63.4° |
| C | CA | CB | H12 | 169.5° | 56.7° |
| OXT | C | CA | H9 | 169.8° | 120.0° |
| OXT | C | O | H10 | 0.0° | 0.0° |
| O | C | CA | H9 | 9.3° | 60.1° |
| H2 | CAJ | CAK | H4 | 159.8° | 180.0° |
| H2 | CAJ | CAK | H5 | 80.4° | 60.0° |
| H3 | CAJ | CAK | H4 | 41.0° | 60.0° |
| H3 | CAJ | CAK | H5 | 160.7° | 179.9° |
| H4 | CAK | CAU | H6 | 53.7° | 65.0° |
| H5 | CAK | CAU | H6 | 66.1° | 175.0° |
| H8 | N | CA | H9 | 152.2° | 145.0° |
| H9 | CA | CB | H11 | 167.7° | 176.6° |
| H9 | CA | CB | H12 | 48.6° | 63.3° |
| H11 | CB | CG | H13 | 65.5° | 65.9° |
| H12 | CB | CG | H13 | 175.4° | 174.1° |
| H13 | CG | CD2 | H14 | 58.8° | 177.2° |
| H13 | CG | CD2 | H15 | 178.8° | 62.7° |
| H13 | CG | CD2 | H16 | 61.2° | 57.3° |
| H13 | CG | CD1 | H17 | 59.1° | 60.1° |
| H13 | CG | CD1 | H18 | 179.1° | 60.0° |
| H13 | CG | CD1 | H19 | 60.9° | 180.0° |
| H14 | CD2 | H15 | H16 | 120.0° | 120.0° |
| H17 | CD1 | H18 | H19 | 120.0° | 120.1° |
