G06
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAO | OAN | sing | 1.45Å | 1.43Å | |
| OAN | C | sing | 1.34Å | 1.32Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| CG | SD | sing | 1.81Å | 1.84Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | N | sing | 1.46Å | 1.47Å | |
| SD | CE | sing | 1.81Å | 1.80Å | |
| N | CAF | doub | 1.29Å | 1.29Å | |
| CAF | CAE | sing | 1.48Å | 1.42Å | |
| OAU | PAT | doub | 1.48Å | 1.56Å | |
| OAD | CAC | sing | 1.36Å | 1.37Å | |
| CAE | CAC | doub | 1.40Å | 1.42Å | Aromatic |
| CAE | CAQ | sing | 1.40Å | 1.42Å | Aromatic |
| CAC | CAB | sing | 1.39Å | 1.39Å | Aromatic |
| CAR | CAQ | sing | 1.51Å | 1.46Å | |
| CAR | OAS | sing | 1.43Å | 1.41Å | |
| CAQ | CAX | doub | 1.38Å | 1.39Å | Aromatic |
| PAT | OAW | sing | 1.61Å | 1.51Å | |
| PAT | OAS | sing | 1.61Å | 1.62Å | |
| PAT | OAV | sing | 1.61Å | 1.51Å | |
| CAB | CAA | sing | 1.51Å | 1.50Å | |
| CAB | NAY | doub | 1.32Å | 1.33Å | Aromatic |
| CAX | NAY | sing | 1.32Å | 1.41Å | Aromatic |
| OAV | H1 | sing | 0.97Å | 0.95Å | |
| OAW | H2 | sing | 0.97Å | 0.95Å | |
| CAR | H3 | sing | 1.09Å | 1.10Å | |
| CAR | H4 | sing | 1.09Å | 1.10Å | |
| CAX | H5 | sing | 1.08Å | 1.08Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| OAD | H9 | sing | 0.97Å | 0.95Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å | |
| CA | H11 | sing | 1.09Å | 1.10Å | |
| CAO | H12 | sing | 1.09Å | 1.10Å | |
| CAO | H13 | sing | 1.09Å | 1.10Å | |
| CAO | H14 | sing | 1.09Å | 1.10Å | |
| CB | H15 | sing | 1.09Å | 1.10Å | |
| CB | H16 | sing | 1.09Å | 1.10Å | |
| CG | H17 | sing | 1.09Å | 1.10Å | |
| CG | H18 | sing | 1.09Å | 1.10Å | |
| CE | H19 | sing | 1.09Å | 1.10Å | |
| CE | H20 | sing | 1.09Å | 1.10Å | |
| CE | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAO | OAN | C | 123.6° | 117.0° |
| OAN | CAO | H12 | 109.5° | 109.5° |
| OAN | CAO | H13 | 109.5° | 109.5° |
| OAN | CAO | H14 | 109.4° | 109.5° |
| OAN | C | O | 125.6° | 120.0° |
| OAN | C | CA | 109.2° | 120.0° |
| O | C | CA | 125.2° | 120.0° |
| C | CA | CB | 109.9° | 109.5° |
| C | CA | N | 105.4° | 109.5° |
| C | CA | H11 | 107.7° | 109.5° |
| SD | CG | CB | 113.6° | 109.5° |
| CG | SD | CE | 99.9° | 103.0° |
| SD | CG | H17 | 108.4° | 109.5° |
| SD | CG | H18 | 108.4° | 109.5° |
| CG | CB | CA | 109.0° | 109.5° |
| CG | CB | H15 | 109.6° | 109.5° |
| CG | CB | H16 | 109.6° | 109.4° |
| CB | CG | H17 | 108.4° | 109.4° |
| CB | CG | H18 | 108.4° | 109.4° |
| CB | CA | N | 117.4° | 109.5° |
| CB | CA | H11 | 107.6° | 109.5° |
| CA | CB | H15 | 109.6° | 109.5° |
| CA | CB | H16 | 109.6° | 109.5° |
| CA | N | CAF | 124.1° | 120.0° |
| N | CA | H11 | 108.5° | 109.4° |
| SD | CE | H19 | 109.5° | 109.5° |
| SD | CE | H20 | 109.5° | 109.5° |
| SD | CE | H21 | 109.4° | 109.5° |
| N | CAF | CAE | 122.0° | 120.0° |
| N | CAF | H10 | 119.0° | 120.0° |
| CAF | CAE | CAC | 124.7° | 121.0° |
| CAF | CAE | CAQ | 117.5° | 121.0° |
| CAE | CAF | H10 | 119.0° | 120.0° |
| OAU | PAT | OAW | 108.9° | 109.5° |
| OAU | PAT | OAS | 105.4° | 109.5° |
| OAU | PAT | OAV | 113.6° | 109.5° |
| OAD | CAC | CAE | 122.2° | 120.6° |
| OAD | CAC | CAB | 115.4° | 120.6° |
| CAC | OAD | H9 | 109.5° | 114.0° |
| CAC | CAE | CAQ | 117.7° | 118.1° |
| CAE | CAC | CAB | 122.3° | 118.8° |
| CAE | CAQ | CAR | 125.2° | 120.5° |
| CAE | CAQ | CAX | 117.8° | 119.1° |
| CAC | CAB | CAA | 124.1° | 119.6° |
| CAC | CAB | NAY | 119.4° | 120.8° |
| CAQ | CAR | OAS | 107.6° | 109.5° |
| CAR | CAQ | CAX | 117.0° | 120.4° |
| CAQ | CAR | H3 | 110.0° | 109.5° |
| CAQ | CAR | H4 | 109.9° | 109.5° |
| CAR | OAS | PAT | 118.2° | 123.0° |
| OAS | CAR | H3 | 109.9° | 109.4° |
| OAS | CAR | H4 | 109.9° | 109.5° |
| CAQ | CAX | NAY | 122.5° | 121.1° |
| CAQ | CAX | H5 | 118.8° | 119.5° |
| OAW | PAT | OAS | 108.5° | 109.4° |
| OAW | PAT | OAV | 114.7° | 109.4° |
| PAT | OAW | H2 | 109.5° | 114.1° |
| OAS | PAT | OAV | 105.1° | 109.5° |
| PAT | OAV | H1 | 109.5° | 114.0° |
| CAA | CAB | NAY | 116.5° | 119.6° |
| CAB | CAA | H6 | 109.5° | 109.4° |
| CAB | CAA | H7 | 109.5° | 109.5° |
| CAB | CAA | H8 | 109.5° | 109.5° |
| CAB | NAY | CAX | 120.2° | 122.1° |
| NAY | CAX | H5 | 118.7° | 119.4° |
| H3 | CAR | H4 | 109.5° | 109.5° |
| H6 | CAA | H7 | 109.5° | 109.4° |
| H6 | CAA | H8 | 109.5° | 109.5° |
| H7 | CAA | H8 | 109.4° | 109.5° |
| H12 | CAO | H13 | 109.5° | 109.5° |
| H12 | CAO | H14 | 109.5° | 109.4° |
| H13 | CAO | H14 | 109.5° | 109.5° |
| H15 | CB | H16 | 109.5° | 109.4° |
| H17 | CG | H18 | 109.5° | 109.5° |
| H19 | CE | H20 | 109.5° | 109.5° |
| H19 | CE | H21 | 109.5° | 109.5° |
| H20 | CE | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAO | OAN | C | O | 12.9° | 0.0° |
| CAO | OAN | C | CA | 165.4° | 180.0° |
| OAN | CAO | H12 | H13 | 120.0° | 120.0° |
| OAN | CAO | H12 | H14 | 120.0° | 120.0° |
| OAN | CAO | H13 | H14 | 120.0° | 120.0° |
| OAN | C | O | CA | 178.0° | 180.0° |
| OAN | C | CA | CB | 96.4° | 60.0° |
| OAN | C | CA | N | 136.1° | 180.0° |
| OAN | C | CA | H11 | 20.5° | 60.0° |
| C | OAN | CAO | H12 | 180.0° | 180.0° |
| C | OAN | CAO | H13 | 60.0° | 60.0° |
| C | OAN | CAO | H14 | 60.0° | 60.0° |
| O | C | CA | CB | 85.3° | 120.0° |
| O | C | CA | N | 42.1° | 0.0° |
| O | C | CA | H11 | 157.8° | 120.0° |
| C | CA | CB | CG | 87.9° | 175.0° |
| C | CA | CB | N | 120.4° | 120.0° |
| C | CA | CB | H11 | 117.0° | 120.0° |
| C | CA | N | H11 | 115.1° | 120.0° |
| C | CA | N | CAF | 96.2° | 120.0° |
| C | CA | CB | H15 | 32.0° | 64.9° |
| C | CA | CB | H16 | 152.2° | 55.0° |
| SD | CG | CB | H17 | 120.6° | 120.0° |
| SD | CG | CB | H18 | 120.6° | 120.0° |
| SD | CG | CB | CA | 64.9° | 180.0° |
| SD | CG | CB | H15 | 175.2° | 60.0° |
| SD | CG | CB | H16 | 55.0° | 60.0° |
| SD | CG | H17 | H18 | 118.1° | 120.1° |
| CG | SD | CE | H19 | 180.0° | 60.0° |
| CG | SD | CE | H20 | 60.0° | 180.0° |
| CG | SD | CE | H21 | 60.0° | 60.0° |
| CG | CB | CA | H15 | 119.9° | 120.1° |
| CG | CB | CA | H16 | 119.9° | 120.0° |
| CG | CB | CA | N | 151.7° | 65.0° |
| CB | CG | SD | CE | 77.0° | 180.0° |
| CG | CB | CA | H11 | 29.1° | 55.0° |
| CG | CB | H15 | H16 | 120.2° | 120.0° |
| CB | CG | H17 | H18 | 118.1° | 120.0° |
| CB | CA | N | H11 | 122.1° | 120.0° |
| CB | CA | N | CAF | 26.5° | 120.0° |
| CA | CB | H15 | H16 | 120.2° | 120.0° |
| CA | CB | CG | H17 | 55.7° | 60.0° |
| CA | CB | CG | H18 | 174.5° | 60.0° |
| CA | N | CAF | CAE | 175.0° | 180.0° |
| CA | N | CAF | H10 | 5.0° | 0.0° |
| N | CA | CB | H15 | 88.4° | 55.0° |
| N | CA | CB | H16 | 31.8° | 175.0° |
| CE | SD | CG | H17 | 162.3° | 60.0° |
| CE | SD | CG | H18 | 43.6° | 60.0° |
| SD | CE | H19 | H20 | 120.0° | 120.0° |
| SD | CE | H19 | H21 | 120.0° | 120.0° |
| SD | CE | H20 | H21 | 119.9° | 120.0° |
| N | CAF | CAE | H10 | 180.0° | 180.0° |
| N | CAF | CAE | CAC | 3.1° | 0.0° |
| N | CAF | CAE | CAQ | 174.2° | 179.5° |
| CAF | N | CA | H11 | 148.6° | 0.0° |
| CAF | CAE | CAC | OAD | 0.5° | 0.2° |
| CAF | CAE | CAC | CAQ | 177.3° | 179.6° |
| CAF | CAE | CAC | CAB | 178.1° | 180.0° |
| CAF | CAE | CAQ | CAR | 2.1° | 0.2° |
| CAF | CAE | CAQ | CAX | 178.9° | 180.0° |
| OAU | PAT | OAS | CAR | 56.4° | 55.0° |
| OAU | PAT | OAW | OAS | 114.3° | 120.0° |
| OAU | PAT | OAW | OAV | 128.5° | 120.0° |
| OAU | PAT | OAS | OAV | 120.3° | 120.0° |
| OAU | PAT | OAV | H1 | 0.0° | 60.0° |
| OAU | PAT | OAW | H2 | 0.0° | 179.9° |
| OAD | CAC | CAE | CAB | 178.7° | 179.8° |
| OAD | CAC | CAE | CAQ | 177.8° | 179.8° |
| OAD | CAC | CAB | CAA | 3.8° | 0.0° |
| OAD | CAC | CAB | NAY | 178.7° | 180.0° |
| CAC | CAE | CAQ | CAR | 179.6° | 179.8° |
| CAC | CAE | CAQ | CAX | 1.4° | 0.5° |
| CAE | CAC | CAB | CAA | 177.4° | 179.8° |
| CAE | CAC | CAB | NAY | 0.1° | 0.2° |
| CAE | CAC | OAD | H9 | 180.0° | 89.8° |
| CAC | CAE | CAF | H10 | 176.9° | 180.0° |
| CAQ | CAE | CAC | CAB | 0.9° | 0.4° |
| CAE | CAQ | CAR | CAX | 179.0° | 179.8° |
| CAE | CAQ | CAR | OAS | 71.0° | 179.8° |
| CAE | CAQ | CAX | NAY | 1.2° | 0.3° |
| CAE | CAQ | CAR | H3 | 169.4° | 59.8° |
| CAE | CAQ | CAR | H4 | 48.7° | 60.2° |
| CAE | CAQ | CAX | H5 | 178.8° | 179.8° |
| CAQ | CAE | CAF | H10 | 5.8° | 0.5° |
| CAC | CAB | CAA | NAY | 177.6° | 180.0° |
| CAC | CAB | NAY | CAX | 0.2° | 0.0° |
| CAC | CAB | CAA | H6 | 177.6° | 90.0° |
| CAC | CAB | CAA | H7 | 57.5° | 30.0° |
| CAC | CAB | CAA | H8 | 62.4° | 150.0° |
| CAB | CAC | OAD | H9 | 1.3° | 90.0° |
| CAQ | CAR | OAS | H3 | 119.7° | 120.0° |
| CAQ | CAR | OAS | H4 | 119.7° | 120.0° |
| CAQ | CAR | OAS | PAT | 157.2° | 180.0° |
| CAR | CAQ | CAX | NAY | 179.7° | 180.0° |
| CAQ | CAR | H3 | H4 | 120.9° | 120.1° |
| CAR | CAQ | CAX | H5 | 0.3° | 0.0° |
| OAS | CAR | CAQ | CAX | 108.1° | 0.0° |
| CAR | OAS | PAT | OAW | 60.2° | 65.0° |
| CAR | OAS | PAT | OAV | 176.6° | 175.0° |
| OAS | CAR | H3 | H4 | 120.8° | 120.0° |
| CAQ | CAX | NAY | CAB | 0.4° | 0.0° |
| CAQ | CAX | NAY | H5 | 180.0° | 179.9° |
| CAX | CAQ | CAR | H3 | 11.6° | 120.0° |
| CAX | CAQ | CAR | H4 | 132.2° | 120.0° |
| OAW | PAT | OAS | OAV | 123.2° | 119.9° |
| OAW | PAT | OAV | H1 | 126.2° | 60.1° |
| OAS | PAT | OAV | H1 | 114.7° | 180.0° |
| OAS | PAT | OAW | H2 | 114.2° | 60.0° |
| PAT | OAS | CAR | H3 | 83.1° | 60.0° |
| PAT | OAS | CAR | H4 | 37.5° | 59.9° |
| OAV | PAT | OAW | H2 | 128.6° | 59.9° |
| CAA | CAB | NAY | CAX | 177.9° | 180.0° |
| CAB | CAA | H6 | H7 | 120.0° | 120.0° |
| CAB | CAA | H6 | H8 | 120.0° | 120.0° |
| CAB | CAA | H7 | H8 | 120.0° | 120.0° |
| CAB | NAY | CAX | H5 | 179.6° | 180.0° |
| NAY | CAB | CAA | H6 | 0.0° | 90.0° |
| NAY | CAB | CAA | H7 | 120.0° | 150.0° |
| NAY | CAB | CAA | H8 | 120.0° | 30.0° |
| H6 | CAA | H7 | H8 | 120.0° | 120.0° |
| H11 | CA | CB | H15 | 149.0° | 175.0° |
| H11 | CA | CB | H16 | 90.8° | 65.0° |
| H12 | CAO | H13 | H14 | 120.0° | 120.0° |
| H15 | CB | CG | H17 | 64.2° | 180.0° |
| H15 | CB | CG | H18 | 54.6° | 60.0° |
| H16 | CB | CG | H17 | 175.7° | 60.0° |
| H16 | CB | CG | H18 | 65.6° | 180.0° |
| H19 | CE | H20 | H21 | 120.0° | 120.0° |
