8WY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAH | sing | 1.53Å | 1.57Å | |
| CAH | OAK | sing | 1.43Å | 1.43Å | |
| CAH | CAG | sing | 1.53Å | 1.54Å | |
| CAG | CB | sing | 1.53Å | 1.52Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| CAH | O1 | sing | 1.43Å | 1.35Å | |
| OXT | H1 | sing | 0.97Å | 0.95Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| N | H4 | sing | 1.01Å | 1.00Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CAG | H8 | sing | 1.09Å | 1.10Å | |
| CAG | H9 | sing | 1.09Å | 1.10Å | |
| OAK | H10 | sing | 0.97Å | 0.95Å | |
| CAI | H11 | sing | 1.09Å | 1.10Å | |
| CAI | H12 | sing | 1.09Å | 1.10Å | |
| CAI | H13 | sing | 1.09Å | 1.10Å | |
| O1 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAH | OAK | 107.5° | 109.4° |
| CAI | CAH | CAG | 109.8° | 109.5° |
| CAI | CAH | O1 | 116.4° | 109.4° |
| CAH | CAI | H11 | 109.5° | 109.5° |
| CAH | CAI | H12 | 109.5° | 109.4° |
| CAH | CAI | H13 | 109.5° | 109.6° |
| OAK | CAH | CAG | 109.1° | 109.5° |
| OAK | CAH | O1 | 100.1° | 109.4° |
| CAH | OAK | H10 | 109.5° | 114.0° |
| CAH | CAG | CB | 110.5° | 109.4° |
| CAG | CAH | O1 | 113.2° | 109.5° |
| CAH | CAG | H8 | 109.2° | 109.4° |
| CAH | CAG | H9 | 109.2° | 109.5° |
| CAG | CB | CA | 112.8° | 109.4° |
| CAG | CB | H6 | 108.6° | 109.5° |
| CAG | CB | H7 | 108.6° | 109.5° |
| CB | CAG | H8 | 109.2° | 109.5° |
| CB | CAG | H9 | 109.2° | 109.5° |
| CB | CA | N | 111.8° | 109.5° |
| CB | CA | C | 107.0° | 109.5° |
| CB | CA | H2 | 109.9° | 109.5° |
| CA | CB | H6 | 108.6° | 109.4° |
| CA | CB | H7 | 108.7° | 109.5° |
| N | CA | C | 107.2° | 109.4° |
| N | CA | H2 | 110.9° | 109.5° |
| CA | N | H3 | 109.5° | 111.0° |
| CA | N | H4 | 109.5° | 111.0° |
| O | C | CA | 116.8° | 120.0° |
| O | C | OXT | 125.4° | 120.0° |
| CA | C | OXT | 117.7° | 120.0° |
| C | CA | H2 | 110.0° | 109.4° |
| C | OXT | H1 | 109.5° | 117.0° |
| CAH | O1 | H14 | 109.5° | 114.1° |
| H3 | N | H4 | 109.5° | 111.0° |
| H6 | CB | H7 | 109.5° | 109.5° |
| H8 | CAG | H9 | 109.5° | 109.5° |
| H11 | CAI | H12 | 109.5° | 109.4° |
| H11 | CAI | H13 | 109.5° | 109.5° |
| H12 | CAI | H13 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAH | OAK | CAG | 119.0° | 120.1° |
| CAI | CAH | OAK | O1 | 122.0° | 119.9° |
| CAI | CAH | CAG | O1 | 131.9° | 120.0° |
| CAI | CAH | CAG | CB | 165.1° | 60.0° |
| CAI | CAH | CAG | H8 | 44.9° | 60.0° |
| CAI | CAH | CAG | H9 | 74.7° | 180.0° |
| CAI | CAH | OAK | H10 | 180.0° | 180.0° |
| CAH | CAI | H11 | H12 | 120.0° | 119.9° |
| CAH | CAI | H11 | H13 | 120.0° | 120.1° |
| CAH | CAI | H12 | H13 | 120.0° | 120.1° |
| CAI | CAH | O1 | H14 | 180.0° | 59.9° |
| OAK | CAH | CAG | O1 | 110.5° | 120.0° |
| OAK | CAH | CAG | CB | 77.4° | 60.0° |
| OAK | CAH | CAG | H8 | 162.5° | 180.0° |
| OAK | CAH | CAG | H9 | 42.8° | 60.0° |
| OAK | CAH | CAI | H11 | 180.0° | 60.1° |
| OAK | CAH | CAI | H12 | 60.0° | 180.0° |
| OAK | CAH | CAI | H13 | 60.0° | 60.0° |
| OAK | CAH | O1 | H14 | 64.6° | 60.0° |
| CAH | CAG | CB | H8 | 120.2° | 119.9° |
| CAH | CAG | CB | H9 | 120.2° | 120.0° |
| CAH | CAG | CB | CA | 172.3° | 180.0° |
| CAH | CAG | CB | H6 | 67.2° | 60.1° |
| CAH | CAG | CB | H7 | 51.8° | 60.0° |
| CAH | CAG | H8 | H9 | 119.5° | 120.0° |
| CAG | CAH | OAK | H10 | 61.0° | 59.9° |
| CAG | CAH | CAI | H11 | 61.4° | 60.0° |
| CAG | CAH | CAI | H12 | 178.6° | 60.0° |
| CAG | CAH | CAI | H13 | 58.6° | 180.0° |
| CAG | CAH | O1 | H14 | 51.4° | 180.0° |
| CAG | CB | CA | H6 | 120.5° | 120.0° |
| CAG | CB | CA | H7 | 120.5° | 120.0° |
| CAG | CB | CA | N | 43.5° | 65.0° |
| CAG | CB | CA | C | 160.6° | 175.0° |
| CB | CAG | CAH | O1 | 33.2° | 180.0° |
| CAG | CB | CA | H2 | 80.1° | 55.0° |
| CAG | CB | H6 | H7 | 118.4° | 120.1° |
| CB | CAG | H8 | H9 | 119.5° | 120.1° |
| CB | CA | N | C | 116.9° | 120.0° |
| CB | CA | N | H2 | 123.0° | 120.1° |
| CB | CA | C | O | 83.4° | 100.0° |
| CB | CA | C | H2 | 119.3° | 120.0° |
| CB | CA | C | OXT | 93.5° | 80.3° |
| CB | CA | N | H3 | 180.0° | 60.0° |
| CB | CA | N | H4 | 60.0° | 63.9° |
| CA | CB | H6 | H7 | 118.5° | 120.0° |
| CA | CB | CAG | H8 | 52.2° | 60.1° |
| CA | CB | CAG | H9 | 67.5° | 60.0° |
| N | CA | C | O | 36.6° | 20.1° |
| N | CA | C | H2 | 120.7° | 119.9° |
| N | CA | C | OXT | 146.5° | 159.7° |
| CA | N | H3 | H4 | 120.0° | 123.9° |
| N | CA | CB | H6 | 164.0° | 55.0° |
| N | CA | CB | H7 | 77.0° | 175.0° |
| O | C | CA | OXT | 176.9° | 179.8° |
| O | C | OXT | H1 | 0.0° | 0.0° |
| O | C | CA | H2 | 157.3° | 140.0° |
| CA | C | OXT | H1 | 176.6° | 179.8° |
| C | CA | N | H3 | 63.1° | 60.0° |
| C | CA | N | H4 | 56.9° | 176.0° |
| C | CA | CB | H6 | 78.9° | 65.0° |
| C | CA | CB | H7 | 40.1° | 55.0° |
| OXT | C | CA | H2 | 25.8° | 39.8° |
| O1 | CAH | CAG | H8 | 87.0° | 60.0° |
| O1 | CAH | CAG | H9 | 153.3° | 60.0° |
| O1 | CAH | OAK | H10 | 58.0° | 60.1° |
| O1 | CAH | CAI | H11 | 68.8° | 180.0° |
| O1 | CAH | CAI | H12 | 51.2° | 60.1° |
| O1 | CAH | CAI | H13 | 171.2° | 59.9° |
| H2 | CA | N | H3 | 57.0° | 179.9° |
| H2 | CA | N | H4 | 177.0° | 56.1° |
| H2 | CA | CB | H6 | 40.4° | 175.0° |
| H2 | CA | CB | H7 | 159.4° | 65.0° |
| H6 | CB | CAG | H8 | 172.7° | 180.0° |
| H6 | CB | CAG | H9 | 53.0° | 59.9° |
| H7 | CB | CAG | H8 | 68.3° | 59.9° |
| H7 | CB | CAG | H9 | 172.0° | 180.0° |
| H11 | CAI | H12 | H13 | 120.0° | 120.0° |
