CGW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAL | sing | 1.52Å | 1.40Å | |
| CAF | SAJ | sing | 1.83Å | 1.80Å | |
| CAG | CAM | sing | 1.52Å | 1.42Å | |
| CAG | SAJ | sing | 1.83Å | 1.81Å | |
| CAL | CAM | doub | 1.34Å | 1.38Å | |
| CAL | CAN | sing | 1.43Å | 1.34Å | |
| OAC | CAN | doub | 1.22Å | 1.23Å | |
| CAM | NAQ | sing | 1.38Å | 1.37Å | |
| CAN | NAI | sing | 1.34Å | 1.41Å | |
| NAQ | CB | sing | 1.46Å | 1.48Å | |
| NAQ | CAO | sing | 1.34Å | 1.36Å | |
| NAI | CAO | sing | 1.35Å | 1.40Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CAO | OAD | doub | 1.22Å | 1.23Å | |
| OXT | C | doub | 1.21Å | 1.24Å | |
| CA | C | sing | 1.51Å | 1.50Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| C | O | sing | 1.34Å | 1.25Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| O | H5 | sing | 0.97Å | 0.95Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CAF | H8 | sing | 1.09Å | 1.10Å | |
| CAF | H9 | sing | 1.09Å | 1.10Å | |
| CAG | H10 | sing | 1.09Å | 1.10Å | |
| CAG | H11 | sing | 1.09Å | 1.10Å | |
| NAI | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAL | CAF | SAJ | 106.2° | 103.3° |
| CAF | CAL | CAM | 116.0° | 116.2° |
| CAF | CAL | CAN | 125.0° | 125.2° |
| CAL | CAF | H8 | 110.3° | 110.7° |
| CAL | CAF | H9 | 110.3° | 110.6° |
| CAF | SAJ | CAG | 90.3° | 94.2° |
| SAJ | CAF | H8 | 110.3° | 110.7° |
| SAJ | CAF | H9 | 110.3° | 110.7° |
| CAM | CAG | SAJ | 106.6° | 103.3° |
| CAG | CAM | CAL | 113.4° | 116.2° |
| CAG | CAM | NAQ | 126.3° | 124.9° |
| CAM | CAG | H10 | 110.2° | 110.7° |
| CAM | CAG | H11 | 110.2° | 110.6° |
| SAJ | CAG | H10 | 110.2° | 110.7° |
| SAJ | CAG | H11 | 110.2° | 110.7° |
| CAM | CAL | CAN | 119.0° | 118.5° |
| CAL | CAM | NAQ | 120.3° | 119.0° |
| CAL | CAN | OAC | 120.8° | 119.7° |
| CAL | CAN | NAI | 121.9° | 120.5° |
| OAC | CAN | NAI | 117.3° | 119.8° |
| CAM | NAQ | CB | 120.8° | 119.2° |
| CAM | NAQ | CAO | 121.4° | 121.8° |
| CAN | NAI | CAO | 117.8° | 119.8° |
| CAN | NAI | H12 | 121.1° | 120.1° |
| CB | NAQ | CAO | 117.8° | 119.1° |
| NAQ | CB | CA | 108.5° | 109.5° |
| NAQ | CB | H6 | 109.7° | 109.5° |
| NAQ | CB | H7 | 109.7° | 109.5° |
| NAQ | CAO | NAI | 119.5° | 120.5° |
| NAQ | CAO | OAD | 121.9° | 119.7° |
| NAI | CAO | OAD | 118.6° | 119.8° |
| CAO | NAI | H12 | 121.1° | 120.1° |
| CB | CA | C | 109.7° | 109.5° |
| CB | CA | N | 113.7° | 109.5° |
| CB | CA | H4 | 108.6° | 109.5° |
| CA | CB | H6 | 109.7° | 109.4° |
| CA | CB | H7 | 109.7° | 109.5° |
| OXT | C | CA | 116.8° | 120.0° |
| OXT | C | O | 128.5° | 120.0° |
| C | CA | N | 106.0° | 109.5° |
| CA | C | O | 114.6° | 120.0° |
| C | CA | H4 | 109.0° | 109.5° |
| CA | N | H1 | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | H4 | 109.7° | 109.5° |
| C | O | H5 | 109.5° | 116.9° |
| H1 | N | H2 | 109.4° | 111.0° |
| H6 | CB | H7 | 109.5° | 109.5° |
| H8 | CAF | H9 | 109.5° | 110.7° |
| H10 | CAG | H11 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAL | CAF | SAJ | H8 | 119.5° | 118.5° |
| CAL | CAF | SAJ | H9 | 119.5° | 118.4° |
| CAF | CAL | CAM | CAG | 0.2° | 0.0° |
| CAL | CAF | SAJ | CAG | 23.9° | 23.1° |
| CAF | CAL | CAM | CAN | 179.3° | 179.9° |
| CAF | CAL | CAN | OAC | 1.2° | 0.1° |
| CAF | CAL | CAM | NAQ | 179.2° | 180.0° |
| CAF | CAL | CAN | NAI | 179.8° | 180.0° |
| CAL | CAF | H8 | H9 | 121.5° | 123.0° |
| CAF | SAJ | CAG | CAM | 24.0° | 23.1° |
| SAJ | CAF | CAL | CAM | 18.6° | 17.3° |
| SAJ | CAF | CAL | CAN | 162.2° | 162.8° |
| SAJ | CAF | H8 | H9 | 121.5° | 123.1° |
| CAF | SAJ | CAG | H10 | 143.6° | 141.6° |
| CAF | SAJ | CAG | H11 | 95.5° | 95.3° |
| CAM | CAG | SAJ | H10 | 119.5° | 118.5° |
| CAM | CAG | SAJ | H11 | 119.6° | 118.4° |
| CAG | CAM | CAL | NAQ | 179.4° | 179.9° |
| CAG | CAM | CAL | CAN | 179.4° | 179.9° |
| CAG | CAM | NAQ | CB | 1.5° | 0.0° |
| CAG | CAM | NAQ | CAO | 180.0° | 180.0° |
| CAM | CAG | H10 | H11 | 121.3° | 123.0° |
| SAJ | CAG | CAM | CAL | 18.2° | 17.3° |
| SAJ | CAG | CAM | NAQ | 162.4° | 162.7° |
| CAG | SAJ | CAF | H8 | 95.6° | 95.4° |
| CAG | SAJ | CAF | H9 | 143.4° | 141.5° |
| SAJ | CAG | H10 | H11 | 121.3° | 123.1° |
| CAM | CAL | CAN | OAC | 179.6° | 180.0° |
| CAM | CAL | CAN | NAI | 0.6° | 0.1° |
| CAL | CAM | NAQ | CB | 179.2° | 180.0° |
| CAL | CAM | NAQ | CAO | 0.7° | 0.1° |
| CAM | CAL | CAF | H8 | 100.9° | 101.1° |
| CAM | CAL | CAF | H9 | 138.0° | 135.8° |
| CAL | CAM | CAG | H10 | 137.8° | 135.7° |
| CAL | CAM | CAG | H11 | 101.3° | 101.2° |
| CAL | CAN | OAC | NAI | 179.0° | 180.0° |
| CAN | CAL | CAM | NAQ | 0.1° | 0.1° |
| CAL | CAN | NAI | CAO | 0.7° | 0.0° |
| CAN | CAL | CAF | H8 | 78.3° | 78.8° |
| CAN | CAL | CAF | H9 | 42.8° | 44.3° |
| CAL | CAN | NAI | H12 | 179.4° | 180.0° |
| OAC | CAN | NAI | CAO | 179.7° | 180.0° |
| OAC | CAN | NAI | H12 | 0.4° | 0.0° |
| CAM | NAQ | CB | CAO | 178.6° | 179.9° |
| CAM | NAQ | CAO | NAI | 0.6° | 0.0° |
| CAM | NAQ | CB | CA | 101.1° | 84.6° |
| CAM | NAQ | CAO | OAD | 179.8° | 179.9° |
| CAM | NAQ | CB | H6 | 139.1° | 155.4° |
| CAM | NAQ | CB | H7 | 18.8° | 35.4° |
| NAQ | CAM | CAG | H10 | 42.9° | 44.2° |
| NAQ | CAM | CAG | H11 | 78.0° | 78.9° |
| CAN | NAI | CAO | NAQ | 0.0° | 0.0° |
| CAN | NAI | CAO | H12 | 180.0° | 180.0° |
| CAN | NAI | CAO | OAD | 179.5° | 180.0° |
| CB | NAQ | CAO | NAI | 179.1° | 180.0° |
| NAQ | CB | CA | H6 | 119.9° | 120.0° |
| NAQ | CB | CA | H7 | 119.9° | 120.0° |
| CB | NAQ | CAO | OAD | 1.3° | 0.0° |
| NAQ | CB | CA | C | 175.2° | 176.6° |
| NAQ | CB | CA | N | 66.3° | 56.6° |
| NAQ | CB | CA | H4 | 56.1° | 63.5° |
| NAQ | CB | H6 | H7 | 120.5° | 120.1° |
| NAQ | CAO | NAI | OAD | 179.6° | 180.0° |
| CAO | NAQ | CB | CA | 77.5° | 95.3° |
| CAO | NAQ | CB | H6 | 42.3° | 24.6° |
| CAO | NAQ | CB | H7 | 162.7° | 144.7° |
| NAQ | CAO | NAI | H12 | 180.0° | 180.0° |
| CB | CA | C | OXT | 66.4° | 100.0° |
| CB | CA | C | N | 123.2° | 120.0° |
| CB | CA | C | H4 | 118.8° | 120.0° |
| CB | CA | N | H4 | 121.8° | 120.0° |
| CB | CA | C | O | 113.7° | 80.0° |
| CB | CA | N | H1 | 180.0° | 174.4° |
| CB | CA | N | H2 | 60.0° | 61.6° |
| CA | CB | H6 | H7 | 120.4° | 120.0° |
| OAD | CAO | NAI | H12 | 0.5° | 0.0° |
| OXT | C | CA | O | 179.9° | 179.9° |
| OXT | C | CA | N | 170.4° | 19.9° |
| OXT | C | CA | H4 | 52.4° | 140.0° |
| OXT | C | O | H5 | 0.0° | 0.1° |
| C | CA | N | H4 | 117.6° | 120.0° |
| C | CA | N | H1 | 59.4° | 65.6° |
| C | CA | N | H2 | 60.6° | 58.3° |
| CA | C | O | H5 | 179.9° | 180.0° |
| C | CA | CB | H6 | 55.3° | 56.6° |
| C | CA | CB | H7 | 65.0° | 63.4° |
| N | CA | C | O | 9.5° | 160.0° |
| CA | N | H1 | H2 | 120.0° | 124.0° |
| N | CA | CB | H6 | 173.8° | 63.4° |
| N | CA | CB | H7 | 53.6° | 176.6° |
| O | C | CA | H4 | 127.4° | 39.9° |
| H1 | N | CA | H4 | 58.2° | 54.4° |
| H2 | N | CA | H4 | 178.2° | 178.4° |
| H4 | CA | CB | H6 | 63.8° | 176.5° |
| H4 | CA | CB | H7 | 175.9° | 56.5° |
