W7D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | OAP | sing | 1.43Å | 1.47Å | |
| OAP | CAU | sing | 1.36Å | 1.32Å | |
| CAU | CAG | doub | 1.37Å | 1.44Å | Aromatic |
| CAU | CAW | sing | 1.41Å | 1.40Å | Aromatic |
| CAG | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | CAW | doub | 1.40Å | 1.47Å | Aromatic |
| CAK | CAT | sing | 1.36Å | 1.44Å | Aromatic |
| CAW | CAV | sing | 1.42Å | 1.40Å | Aromatic |
| CAF | CAI | doub | 1.36Å | 1.38Å | Aromatic |
| CAL | CAT | sing | 1.51Å | 1.40Å | |
| CAL | CAM | sing | 1.53Å | 1.56Å | |
| CAT | CAH | doub | 1.39Å | 1.42Å | Aromatic |
| CAV | CAI | sing | 1.41Å | 1.46Å | Aromatic |
| CAV | CAJ | doub | 1.41Å | 1.38Å | Aromatic |
| CAH | CAJ | sing | 1.36Å | 1.42Å | Aromatic |
| CAM | CB | sing | 1.51Å | 1.49Å | |
| OD1 | CG | doub | 1.22Å | 1.24Å | |
| CB | CG | sing | 1.47Å | 1.41Å | |
| CB | CA | doub | 1.36Å | 1.42Å | |
| CG | ND2 | sing | 1.35Å | 1.41Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| C | CA | sing | 1.48Å | 1.52Å | |
| C | OXT | sing | 1.35Å | 1.23Å | |
| CA | N | sing | 1.38Å | 1.43Å | |
| ND2 | CAR | sing | 1.34Å | 1.36Å | |
| N | CAR | sing | 1.34Å | 1.35Å | |
| CAR | OAC | doub | 1.22Å | 1.24Å | |
| OXT | H1 | sing | 0.97Å | 0.95Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| ND2 | H3 | sing | 0.97Å | 1.00Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| CAL | H6 | sing | 1.09Å | 1.10Å | |
| CAL | H7 | sing | 1.09Å | 1.10Å | |
| CAK | H8 | sing | 1.08Å | 1.08Å | |
| CAH | H9 | sing | 1.08Å | 1.08Å | |
| CAJ | H10 | sing | 1.08Å | 1.08Å | |
| CAI | H11 | sing | 1.08Å | 1.08Å | |
| CAF | H12 | sing | 1.08Å | 1.08Å | |
| CAG | H13 | sing | 1.08Å | 1.08Å | |
| CAA | H14 | sing | 1.09Å | 1.10Å | |
| CAA | H15 | sing | 1.09Å | 1.10Å | |
| CAA | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | OAP | CAU | 115.0° | 117.0° |
| OAP | CAA | H14 | 109.5° | 109.5° |
| OAP | CAA | H15 | 109.5° | 109.4° |
| OAP | CAA | H16 | 109.5° | 109.4° |
| OAP | CAU | CAG | 127.1° | 120.2° |
| OAP | CAU | CAW | 116.0° | 120.2° |
| CAG | CAU | CAW | 116.7° | 119.5° |
| CAU | CAG | CAF | 118.8° | 120.9° |
| CAU | CAG | H13 | 120.6° | 119.6° |
| CAU | CAW | CAK | 118.8° | 121.3° |
| CAU | CAW | CAV | 122.7° | 119.3° |
| CAG | CAF | CAI | 126.6° | 121.1° |
| CAG | CAF | H12 | 116.7° | 119.5° |
| CAF | CAG | H13 | 120.6° | 119.5° |
| CAW | CAK | CAT | 121.8° | 119.7° |
| CAK | CAW | CAV | 118.5° | 119.4° |
| CAW | CAK | H8 | 119.1° | 120.2° |
| CAK | CAT | CAL | 125.2° | 119.5° |
| CAK | CAT | CAH | 116.5° | 121.0° |
| CAT | CAK | H8 | 119.1° | 120.2° |
| CAW | CAV | CAI | 121.1° | 119.4° |
| CAW | CAV | CAJ | 119.7° | 119.3° |
| CAF | CAI | CAV | 113.9° | 119.8° |
| CAF | CAI | H11 | 123.0° | 120.1° |
| CAI | CAF | H12 | 116.7° | 119.5° |
| CAT | CAL | CAM | 108.7° | 109.4° |
| CAL | CAT | CAH | 118.2° | 119.6° |
| CAT | CAL | H6 | 109.7° | 109.4° |
| CAT | CAL | H7 | 109.7° | 109.5° |
| CAL | CAM | CB | 113.6° | 109.4° |
| CAL | CAM | H4 | 108.4° | 109.5° |
| CAL | CAM | H5 | 108.4° | 109.5° |
| CAM | CAL | H6 | 109.6° | 109.4° |
| CAM | CAL | H7 | 109.7° | 109.5° |
| CAT | CAH | CAJ | 120.3° | 121.0° |
| CAT | CAH | H9 | 119.9° | 119.5° |
| CAI | CAV | CAJ | 119.1° | 121.3° |
| CAV | CAI | H11 | 123.0° | 120.1° |
| CAV | CAJ | CAH | 123.0° | 119.6° |
| CAV | CAJ | H10 | 118.5° | 120.2° |
| CAJ | CAH | H9 | 119.9° | 119.5° |
| CAH | CAJ | H10 | 118.5° | 120.2° |
| CAM | CB | CG | 121.3° | 120.9° |
| CAM | CB | CA | 118.2° | 120.8° |
| CB | CAM | H4 | 108.4° | 109.4° |
| CB | CAM | H5 | 108.5° | 109.5° |
| OD1 | CG | CB | 120.8° | 120.6° |
| OD1 | CG | ND2 | 123.9° | 120.6° |
| CG | CB | CA | 119.8° | 118.4° |
| CB | CG | ND2 | 115.2° | 118.9° |
| CB | CA | C | 126.2° | 120.3° |
| CB | CA | N | 120.0° | 119.4° |
| CG | ND2 | CAR | 126.4° | 120.4° |
| CG | ND2 | H3 | 116.8° | 119.8° |
| O | C | CA | 115.0° | 120.0° |
| O | C | OXT | 129.2° | 120.0° |
| CA | C | OXT | 115.5° | 120.0° |
| C | CA | N | 113.2° | 120.3° |
| C | OXT | H1 | 109.5° | 117.0° |
| CA | N | CAR | 120.8° | 121.2° |
| CA | N | H2 | 119.6° | 119.4° |
| ND2 | CAR | N | 117.8° | 121.8° |
| ND2 | CAR | OAC | 119.8° | 119.1° |
| CAR | ND2 | H3 | 116.8° | 119.8° |
| N | CAR | OAC | 122.4° | 119.1° |
| CAR | N | H2 | 119.6° | 119.4° |
| H4 | CAM | H5 | 109.5° | 109.5° |
| H6 | CAL | H7 | 109.4° | 109.5° |
| H14 | CAA | H15 | 109.5° | 109.5° |
| H14 | CAA | H16 | 109.5° | 109.5° |
| H15 | CAA | H16 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | OAP | CAU | CAG | 6.3° | 0.1° |
| CAA | OAP | CAU | CAW | 179.7° | 180.0° |
| OAP | CAA | H14 | H15 | 120.0° | 119.9° |
| OAP | CAA | H14 | H16 | 120.0° | 120.0° |
| OAP | CAA | H15 | H16 | 120.0° | 119.9° |
| OAP | CAU | CAG | CAW | 173.4° | 179.9° |
| OAP | CAU | CAG | CAF | 177.6° | 179.9° |
| OAP | CAU | CAW | CAK | 3.4° | 0.1° |
| OAP | CAU | CAW | CAV | 178.6° | 179.9° |
| OAP | CAU | CAG | H13 | 2.4° | 0.1° |
| CAU | OAP | CAA | H14 | 180.0° | 59.9° |
| CAU | OAP | CAA | H15 | 60.0° | 60.0° |
| CAU | OAP | CAA | H16 | 60.0° | 180.0° |
| CAU | CAG | CAF | H13 | 180.0° | 180.0° |
| CAG | CAU | CAW | CAK | 177.5° | 180.0° |
| CAG | CAU | CAW | CAV | 4.5° | 0.0° |
| CAU | CAG | CAF | CAI | 2.4° | 0.0° |
| CAU | CAG | CAF | H12 | 177.6° | 180.0° |
| CAW | CAU | CAG | CAF | 4.2° | 0.0° |
| CAU | CAW | CAK | CAV | 178.1° | 180.0° |
| CAU | CAW | CAK | CAT | 178.2° | 180.0° |
| CAU | CAW | CAV | CAI | 2.8° | 0.0° |
| CAU | CAW | CAV | CAJ | 177.9° | 179.7° |
| CAU | CAW | CAK | H8 | 1.9° | 0.1° |
| CAW | CAU | CAG | H13 | 175.8° | 180.0° |
| CAG | CAF | CAI | H12 | 180.0° | 179.9° |
| CAG | CAF | CAI | CAV | 0.5° | 0.0° |
| CAG | CAF | CAI | H11 | 179.5° | 179.9° |
| CAW | CAK | CAT | H8 | 180.0° | 179.9° |
| CAW | CAK | CAT | CAL | 177.8° | 180.0° |
| CAW | CAK | CAT | CAH | 3.1° | 0.3° |
| CAK | CAW | CAV | CAI | 179.2° | 180.0° |
| CAK | CAW | CAV | CAJ | 0.1° | 0.2° |
| CAT | CAK | CAW | CAV | 0.1° | 0.0° |
| CAK | CAT | CAL | CAH | 179.1° | 179.7° |
| CAK | CAT | CAL | CAM | 96.5° | 89.7° |
| CAK | CAT | CAH | CAJ | 5.9° | 0.3° |
| CAK | CAT | CAL | H6 | 143.6° | 150.3° |
| CAK | CAT | CAL | H7 | 23.4° | 30.3° |
| CAK | CAT | CAH | H9 | 174.1° | 179.7° |
| CAW | CAV | CAI | CAF | 0.5° | 0.0° |
| CAW | CAV | CAI | CAJ | 179.3° | 179.8° |
| CAW | CAV | CAJ | CAH | 2.9° | 0.3° |
| CAV | CAW | CAK | H8 | 180.0° | 180.0° |
| CAW | CAV | CAJ | H10 | 177.1° | 179.8° |
| CAW | CAV | CAI | H11 | 179.5° | 179.9° |
| CAF | CAI | CAV | H11 | 180.0° | 179.9° |
| CAF | CAI | CAV | CAJ | 179.9° | 179.7° |
| CAI | CAF | CAG | H13 | 177.6° | 180.0° |
| CAT | CAL | CAM | H6 | 119.9° | 119.9° |
| CAT | CAL | CAM | H7 | 119.9° | 120.0° |
| CAL | CAT | CAH | CAJ | 174.9° | 180.0° |
| CAT | CAL | CAM | CB | 73.8° | 180.0° |
| CAT | CAL | CAM | H4 | 165.6° | 60.0° |
| CAT | CAL | CAM | H5 | 46.8° | 60.0° |
| CAT | CAL | H6 | H7 | 120.3° | 120.0° |
| CAL | CAT | CAK | H8 | 2.2° | 0.1° |
| CAL | CAT | CAH | H9 | 5.1° | 0.0° |
| CAM | CAL | CAT | CAH | 84.3° | 90.0° |
| CAL | CAM | CB | H4 | 120.6° | 120.0° |
| CAL | CAM | CB | H5 | 120.6° | 120.1° |
| CAL | CAM | CB | CG | 63.1° | 88.1° |
| CAL | CAM | CB | CA | 107.2° | 91.4° |
| CAL | CAM | H4 | H5 | 118.1° | 120.1° |
| CAM | CAL | H6 | H7 | 120.3° | 120.0° |
| CAT | CAH | CAJ | CAV | 6.1° | 0.0° |
| CAT | CAH | CAJ | H9 | 180.0° | 179.9° |
| CAH | CAT | CAL | H6 | 35.6° | 30.0° |
| CAH | CAT | CAL | H7 | 155.8° | 150.0° |
| CAH | CAT | CAK | H8 | 177.0° | 179.8° |
| CAT | CAH | CAJ | H10 | 173.9° | 180.0° |
| CAI | CAV | CAJ | CAH | 177.8° | 180.0° |
| CAI | CAV | CAJ | H10 | 2.3° | 0.0° |
| CAV | CAI | CAF | H12 | 179.5° | 180.0° |
| CAV | CAJ | CAH | H10 | 180.0° | 180.0° |
| CAV | CAJ | CAH | H9 | 173.9° | 180.0° |
| CAJ | CAV | CAI | H11 | 0.1° | 0.2° |
| CAM | CB | CG | OD1 | 13.1° | 0.2° |
| CAM | CB | CG | CA | 170.2° | 179.5° |
| CAM | CB | CG | ND2 | 171.9° | 180.0° |
| CAM | CB | CA | C | 0.4° | 0.3° |
| CAM | CB | CA | N | 170.6° | 179.9° |
| CB | CAM | H4 | H5 | 118.1° | 120.0° |
| CB | CAM | CAL | H6 | 46.1° | 60.1° |
| CB | CAM | CAL | H7 | 166.3° | 60.0° |
| OD1 | CG | CB | ND2 | 175.0° | 179.8° |
| OD1 | CG | CB | CA | 176.7° | 179.7° |
| OD1 | CG | ND2 | CAR | 176.3° | 180.0° |
| OD1 | CG | ND2 | H3 | 3.8° | 0.0° |
| CG | CB | CA | C | 170.1° | 179.8° |
| CG | CB | CA | N | 0.1° | 0.5° |
| CB | CG | ND2 | CAR | 1.4° | 0.2° |
| CB | CG | ND2 | H3 | 178.6° | 179.8° |
| CG | CB | CAM | H4 | 57.5° | 31.9° |
| CG | CB | CAM | H5 | 176.3° | 151.8° |
| CA | CB | CG | ND2 | 1.7° | 0.5° |
| CB | CA | C | O | 56.6° | 6.3° |
| CB | CA | C | N | 170.8° | 179.7° |
| CB | CA | C | OXT | 129.1° | 173.4° |
| CB | CA | N | CAR | 2.0° | 0.3° |
| CB | CA | N | H2 | 178.0° | 179.8° |
| CA | CB | CAM | H4 | 132.2° | 148.6° |
| CA | CB | CAM | H5 | 13.4° | 28.7° |
| CG | ND2 | CAR | H3 | 180.0° | 180.0° |
| CG | ND2 | CAR | N | 0.7° | 0.0° |
| CG | ND2 | CAR | OAC | 179.4° | 180.0° |
| O | C | CA | OXT | 174.3° | 179.7° |
| O | C | CA | N | 132.6° | 174.0° |
| O | C | OXT | H1 | 0.0° | 0.0° |
| C | CA | N | CAR | 173.4° | 180.0° |
| CA | C | OXT | H1 | 173.4° | 179.8° |
| C | CA | N | H2 | 6.6° | 0.1° |
| OXT | C | CA | N | 41.7° | 6.3° |
| CA | N | CAR | ND2 | 2.4° | 0.0° |
| CA | N | CAR | H2 | 180.0° | 179.9° |
| CA | N | CAR | OAC | 178.9° | 180.0° |
| ND2 | CAR | N | OAC | 178.7° | 179.9° |
| ND2 | CAR | N | H2 | 177.7° | 179.9° |
| N | CAR | ND2 | H3 | 179.3° | 180.0° |
| OAC | CAR | N | H2 | 1.0° | 0.0° |
| OAC | CAR | ND2 | H3 | 0.6° | 0.0° |
| H4 | CAM | CAL | H6 | 74.5° | 180.0° |
| H4 | CAM | CAL | H7 | 45.7° | 60.0° |
| H5 | CAM | CAL | H6 | 166.7° | 59.9° |
| H5 | CAM | CAL | H7 | 73.1° | 180.0° |
| H9 | CAH | CAJ | H10 | 6.1° | 0.1° |
| H11 | CAI | CAF | H12 | 0.5° | 0.1° |
| H12 | CAF | CAG | H13 | 2.4° | 0.0° |
| H14 | CAA | H15 | H16 | 120.0° | 120.1° |
