2AW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAE | CAV | doub | 1.21Å | 1.23Å | |
| CAV | CAP | sing | 1.51Å | 1.53Å | |
| CAV | OAS | sing | 1.34Å | 1.37Å | |
| CAP | CAN | sing | 1.53Å | 1.54Å | |
| OAS | CG1 | sing | 1.45Å | 1.44Å | |
| CAN | CAM | sing | 1.53Å | 1.54Å | |
| CG1 | CB | sing | 1.53Å | 1.54Å | |
| CG2 | CB | sing | 1.53Å | 1.53Å | |
| OAF | SAX | doub | 1.42Å | 1.52Å | |
| CB | SAX | sing | 1.81Å | 1.94Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| CAM | CAO | sing | 1.53Å | 1.54Å | |
| SAX | OAG | sing | 1.52Å | 1.53Å | |
| OAH | CAT | doub | 1.21Å | 1.25Å | |
| CAT | OAC | sing | 1.34Å | 1.24Å | |
| CAT | CAO | sing | 1.51Å | 1.55Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| N | CAL | sing | 1.47Å | 1.33Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| CAL | CAK | sing | 1.53Å | 1.50Å | |
| CAK | CAJ | sing | 1.51Å | 1.51Å | |
| CAJ | OAB | doub | 1.21Å | 1.22Å | |
| OAC | H1 | sing | 0.97Å | 0.95Å | |
| CAO | H2 | sing | 1.09Å | 1.10Å | |
| CAO | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| CAN | H6 | sing | 1.09Å | 1.10Å | |
| CAN | H7 | sing | 1.09Å | 1.10Å | |
| CAP | H8 | sing | 1.09Å | 1.10Å | |
| CAP | H9 | sing | 1.09Å | 1.10Å | |
| CG1 | H10 | sing | 1.09Å | 1.10Å | |
| CG1 | H11 | sing | 1.09Å | 1.10Å | |
| CG2 | H12 | sing | 1.09Å | 1.10Å | |
| CG2 | H13 | sing | 1.09Å | 1.10Å | |
| CG2 | H14 | sing | 1.09Å | 1.10Å | |
| CA | H17 | sing | 1.09Å | 1.10Å | |
| OXT | H18 | sing | 0.97Å | 0.95Å | |
| CAL | H19 | sing | 1.09Å | 1.10Å | |
| CAK | H20 | sing | 1.09Å | 1.10Å | |
| CAK | H21 | sing | 1.09Å | 1.10Å | |
| CAJ | H22 | sing | 1.08Å | 1.08Å | |
| N | H23 | sing | 1.01Å | 1.00Å | |
| CAL | H24 | sing | 1.09Å | 1.10Å | |
| OAG | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAE | CAV | CAP | 120.1° | 120.0° |
| OAE | CAV | OAS | 126.1° | 120.0° |
| CAP | CAV | OAS | 113.8° | 120.0° |
| CAV | CAP | CAN | 111.6° | 109.5° |
| CAV | CAP | H8 | 108.9° | 109.5° |
| CAV | CAP | H9 | 108.9° | 109.4° |
| CAV | OAS | CG1 | 118.1° | 117.0° |
| CAP | CAN | CAM | 110.9° | 109.5° |
| CAP | CAN | H6 | 109.1° | 109.5° |
| CAP | CAN | H7 | 109.1° | 109.5° |
| CAN | CAP | H8 | 108.9° | 109.5° |
| CAN | CAP | H9 | 108.9° | 109.5° |
| OAS | CG1 | CB | 111.0° | 109.5° |
| OAS | CG1 | H10 | 109.1° | 109.5° |
| OAS | CG1 | H11 | 109.1° | 109.5° |
| CAN | CAM | CAO | 111.1° | 109.5° |
| CAN | CAM | H4 | 109.1° | 109.5° |
| CAN | CAM | H5 | 109.1° | 109.5° |
| CAM | CAN | H6 | 109.1° | 109.5° |
| CAM | CAN | H7 | 109.1° | 109.5° |
| CG1 | CB | CG2 | 110.1° | 109.5° |
| CG1 | CB | SAX | 108.4° | 109.5° |
| CG1 | CB | CA | 110.7° | 109.5° |
| CB | CG1 | H10 | 109.1° | 109.5° |
| CB | CG1 | H11 | 109.1° | 109.4° |
| CG2 | CB | SAX | 107.5° | 109.5° |
| CG2 | CB | CA | 110.4° | 109.4° |
| CB | CG2 | H12 | 109.5° | 109.5° |
| CB | CG2 | H13 | 109.4° | 109.5° |
| CB | CG2 | H14 | 109.5° | 109.5° |
| OAF | SAX | CB | 105.4° | 109.5° |
| OAF | SAX | OAG | 107.3° | 103.0° |
| SAX | CB | CA | 109.6° | 109.5° |
| CB | SAX | OAG | 108.8° | 103.0° |
| CB | CA | N | 109.6° | 109.5° |
| CB | CA | C | 110.4° | 109.5° |
| CB | CA | H17 | 109.1° | 109.4° |
| CAM | CAO | CAT | 113.9° | 109.4° |
| CAM | CAO | H2 | 108.3° | 109.5° |
| CAM | CAO | H3 | 108.4° | 109.5° |
| CAO | CAM | H4 | 109.1° | 109.5° |
| CAO | CAM | H5 | 109.1° | 109.5° |
| SAX | OAG | H15 | 109.5° | 114.0° |
| OAH | CAT | OAC | 124.0° | 120.0° |
| OAH | CAT | CAO | 119.9° | 120.0° |
| OAC | CAT | CAO | 116.0° | 120.0° |
| CAT | OAC | H1 | 109.5° | 117.0° |
| CAT | CAO | H2 | 108.3° | 109.5° |
| CAT | CAO | H3 | 108.4° | 109.5° |
| N | CA | C | 108.6° | 109.5° |
| CA | N | CAL | 120.5° | 111.0° |
| N | CA | H17 | 110.0° | 109.5° |
| CA | N | H23 | 106.7° | 111.0° |
| CA | C | O | 117.1° | 120.0° |
| CA | C | OXT | 117.8° | 120.0° |
| C | CA | H17 | 109.2° | 109.4° |
| N | CAL | CAK | 119.2° | 109.5° |
| N | CAL | H19 | 107.0° | 109.5° |
| CAL | N | H23 | 106.7° | 111.0° |
| N | CAL | H24 | 107.0° | 109.4° |
| O | C | OXT | 125.1° | 120.0° |
| C | OXT | H18 | 109.5° | 117.0° |
| CAL | CAK | CAJ | 112.7° | 109.5° |
| CAK | CAL | H19 | 107.0° | 109.5° |
| CAL | CAK | H20 | 108.7° | 109.5° |
| CAL | CAK | H21 | 108.6° | 109.5° |
| CAK | CAL | H24 | 107.0° | 109.5° |
| CAK | CAJ | OAB | 124.7° | 120.0° |
| CAJ | CAK | H20 | 108.6° | 109.5° |
| CAJ | CAK | H21 | 108.7° | 109.5° |
| CAK | CAJ | H22 | 117.6° | 120.0° |
| OAB | CAJ | H22 | 117.7° | 120.0° |
| H2 | CAO | H3 | 109.5° | 109.5° |
| H4 | CAM | H5 | 109.5° | 109.4° |
| H6 | CAN | H7 | 109.5° | 109.4° |
| H8 | CAP | H9 | 109.5° | 109.5° |
| H10 | CG1 | H11 | 109.5° | 109.5° |
| H12 | CG2 | H13 | 109.5° | 109.5° |
| H12 | CG2 | H14 | 109.5° | 109.4° |
| H13 | CG2 | H14 | 109.5° | 109.5° |
| H19 | CAL | H24 | 109.4° | 109.4° |
| H20 | CAK | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAE | CAV | CAP | OAS | 179.5° | 180.0° |
| OAE | CAV | CAP | CAN | 77.6° | 0.0° |
| OAE | CAV | OAS | CG1 | 10.0° | 0.0° |
| OAE | CAV | CAP | H8 | 162.1° | 120.0° |
| OAE | CAV | CAP | H9 | 42.7° | 120.0° |
| CAV | CAP | CAN | H8 | 120.3° | 120.0° |
| CAV | CAP | CAN | H9 | 120.3° | 120.0° |
| CAP | CAV | OAS | CG1 | 169.5° | 180.0° |
| CAV | CAP | CAN | CAM | 68.7° | 180.0° |
| CAV | CAP | CAN | H6 | 171.1° | 60.0° |
| CAV | CAP | CAN | H7 | 51.5° | 60.0° |
| CAV | CAP | H8 | H9 | 119.0° | 120.0° |
| OAS | CAV | CAP | CAN | 101.9° | 180.0° |
| CAV | OAS | CG1 | CB | 176.4° | 180.0° |
| OAS | CAV | CAP | H8 | 18.4° | 60.0° |
| OAS | CAV | CAP | H9 | 137.8° | 60.0° |
| CAV | OAS | CG1 | H10 | 63.3° | 60.0° |
| CAV | OAS | CG1 | H11 | 56.2° | 60.0° |
| CAP | CAN | CAM | H6 | 120.2° | 120.1° |
| CAP | CAN | CAM | H7 | 120.2° | 120.0° |
| CAP | CAN | CAM | CAO | 175.8° | 180.0° |
| CAP | CAN | CAM | H4 | 64.0° | 60.0° |
| CAP | CAN | CAM | H5 | 55.5° | 60.0° |
| CAP | CAN | H6 | H7 | 119.4° | 120.0° |
| CAN | CAP | H8 | H9 | 119.0° | 120.0° |
| OAS | CG1 | CB | H10 | 120.2° | 120.0° |
| OAS | CG1 | CB | H11 | 120.2° | 120.0° |
| OAS | CG1 | CB | CG2 | 72.0° | 60.1° |
| OAS | CG1 | CB | SAX | 170.7° | 60.0° |
| OAS | CG1 | CB | CA | 50.3° | 180.0° |
| OAS | CG1 | H10 | H11 | 119.3° | 120.0° |
| CAN | CAM | CAO | H4 | 120.2° | 120.0° |
| CAN | CAM | CAO | H5 | 120.3° | 120.0° |
| CAN | CAM | CAO | CAT | 61.3° | 180.0° |
| CAN | CAM | CAO | H2 | 178.1° | 60.0° |
| CAN | CAM | CAO | H3 | 59.4° | 60.0° |
| CAN | CAM | H4 | H5 | 119.3° | 120.0° |
| CAM | CAN | H6 | H7 | 119.4° | 120.0° |
| CAM | CAN | CAP | H8 | 51.6° | 60.0° |
| CAM | CAN | CAP | H9 | 171.0° | 60.0° |
| CG1 | CB | CG2 | SAX | 117.9° | 120.0° |
| CG1 | CB | CG2 | CA | 122.5° | 120.0° |
| CG1 | CB | SAX | OAF | 40.2° | 49.1° |
| CG1 | CB | SAX | CA | 121.0° | 120.0° |
| CG1 | CB | SAX | OAG | 74.6° | 60.0° |
| CG1 | CB | CA | N | 58.9° | 175.0° |
| CG1 | CB | CA | C | 178.4° | 54.9° |
| CB | CG1 | H10 | H11 | 119.3° | 120.0° |
| CG1 | CB | CG2 | H12 | 180.0° | 60.0° |
| CG1 | CB | CG2 | H13 | 60.0° | 180.0° |
| CG1 | CB | CG2 | H14 | 60.0° | 60.0° |
| CG1 | CB | CA | H17 | 61.6° | 65.0° |
| CG2 | CB | SAX | OAF | 78.8° | 71.0° |
| CG2 | CB | SAX | CA | 120.0° | 119.9° |
| CG2 | CB | SAX | OAG | 166.4° | 180.0° |
| CG2 | CB | CA | N | 179.0° | 55.0° |
| CG2 | CB | CA | C | 59.5° | 65.0° |
| CG2 | CB | CG1 | H10 | 167.8° | 60.0° |
| CG2 | CB | CG1 | H11 | 48.3° | 180.0° |
| CB | CG2 | H12 | H13 | 120.0° | 120.0° |
| CB | CG2 | H12 | H14 | 120.0° | 120.0° |
| CB | CG2 | H13 | H14 | 120.0° | 120.0° |
| CG2 | CB | CA | H17 | 60.5° | 175.0° |
| OAF | SAX | CB | OAG | 114.8° | 109.0° |
| OAF | SAX | CB | CA | 161.2° | 169.1° |
| OAF | SAX | OAG | H15 | 0.0° | 66.2° |
| SAX | CB | CA | N | 60.7° | 65.0° |
| SAX | CB | CA | C | 58.8° | 175.0° |
| SAX | CB | CG1 | H10 | 50.4° | 180.0° |
| SAX | CB | CG1 | H11 | 69.1° | 60.0° |
| SAX | CB | CG2 | H12 | 62.1° | 180.0° |
| SAX | CB | CG2 | H13 | 58.0° | 60.0° |
| SAX | CB | CG2 | H14 | 177.9° | 60.0° |
| SAX | CB | CA | H17 | 178.8° | 55.1° |
| CB | SAX | OAG | H15 | 113.6° | 180.0° |
| CA | CB | SAX | OAG | 46.4° | 60.1° |
| CB | CA | N | C | 120.7° | 120.0° |
| CB | CA | N | H17 | 119.9° | 120.0° |
| CB | CA | C | H17 | 119.9° | 119.9° |
| CB | CA | N | CAL | 155.2° | 155.0° |
| CB | CA | C | O | 100.0° | 120.1° |
| CB | CA | C | OXT | 80.3° | 60.0° |
| CA | CB | CG1 | H10 | 69.9° | 60.0° |
| CA | CB | CG1 | H11 | 170.6° | 60.0° |
| CA | CB | CG2 | H12 | 57.5° | 60.0° |
| CA | CB | CG2 | H13 | 177.5° | 60.0° |
| CA | CB | CG2 | H14 | 62.5° | 180.0° |
| CB | CA | N | H23 | 33.7° | 31.0° |
| CAM | CAO | CAT | OAH | 29.3° | 0.0° |
| CAM | CAO | CAT | OAC | 153.0° | 180.0° |
| CAM | CAO | CAT | H2 | 120.6° | 120.0° |
| CAM | CAO | CAT | H3 | 120.7° | 120.0° |
| CAM | CAO | H2 | H3 | 118.0° | 120.0° |
| CAO | CAM | H4 | H5 | 119.2° | 120.0° |
| CAO | CAM | CAN | H6 | 55.6° | 60.0° |
| CAO | CAM | CAN | H7 | 64.0° | 60.0° |
| OAH | CAT | OAC | CAO | 177.7° | 179.9° |
| OAH | CAT | OAC | H1 | 0.0° | 0.1° |
| OAH | CAT | CAO | H2 | 91.4° | 119.9° |
| OAH | CAT | CAO | H3 | 149.9° | 120.0° |
| OAC | CAT | CAO | H2 | 86.4° | 60.0° |
| OAC | CAT | CAO | H3 | 32.3° | 60.1° |
| CAO | CAT | OAC | H1 | 177.6° | 180.0° |
| CAT | CAO | H2 | H3 | 118.0° | 120.0° |
| CAT | CAO | CAM | H4 | 59.0° | 60.0° |
| CAT | CAO | CAM | H5 | 178.5° | 60.0° |
| N | CA | C | H17 | 120.0° | 120.1° |
| CA | N | CAL | H23 | 121.6° | 124.0° |
| N | CA | C | O | 139.8° | 0.1° |
| N | CA | C | OXT | 39.8° | 180.0° |
| CA | N | CAL | CAK | 4.5° | 180.0° |
| CA | N | CAL | H19 | 125.9° | 59.9° |
| CA | N | CAL | H24 | 116.9° | 60.0° |
| C | CA | N | CAL | 84.1° | 85.0° |
| CA | C | O | OXT | 179.6° | 179.9° |
| CA | C | OXT | H18 | 179.6° | 180.0° |
| C | CA | N | H23 | 154.3° | 151.0° |
| N | CAL | CAK | H19 | 121.4° | 120.0° |
| N | CAL | CAK | H24 | 121.4° | 120.0° |
| N | CAL | CAK | CAJ | 177.3° | 180.0° |
| CAL | N | CA | H17 | 35.3° | 35.0° |
| N | CAL | H19 | H24 | 115.6° | 119.9° |
| N | CAL | CAK | H20 | 62.3° | 59.9° |
| N | CAL | CAK | H21 | 56.7° | 60.0° |
| O | C | CA | H17 | 19.9° | 120.0° |
| O | C | OXT | H18 | 0.0° | 0.1° |
| OXT | C | CA | H17 | 159.8° | 59.9° |
| CAL | CAK | CAJ | H20 | 120.5° | 120.0° |
| CAL | CAK | CAJ | H21 | 120.5° | 120.0° |
| CAL | CAK | CAJ | OAB | 2.8° | 125.0° |
| CAK | CAL | H19 | H24 | 115.6° | 120.0° |
| CAL | CAK | H20 | H21 | 118.5° | 120.0° |
| CAL | CAK | CAJ | H22 | 177.2° | 55.0° |
| CAK | CAL | N | H23 | 117.1° | 56.0° |
| CAK | CAJ | OAB | H22 | 180.0° | 180.0° |
| CAJ | CAK | CAL | H19 | 55.9° | 60.0° |
| CAJ | CAK | H20 | H21 | 118.5° | 120.0° |
| CAJ | CAK | CAL | H24 | 61.3° | 60.0° |
| OAB | CAJ | CAK | H20 | 117.7° | 5.0° |
| OAB | CAJ | CAK | H21 | 123.3° | 115.0° |
| H2 | CAO | CAM | H4 | 61.7° | 180.0° |
| H2 | CAO | CAM | H5 | 57.8° | 60.0° |
| H3 | CAO | CAM | H4 | 179.6° | 60.0° |
| H3 | CAO | CAM | H5 | 60.9° | 180.0° |
| H4 | CAM | CAN | H6 | 175.8° | 180.0° |
| H4 | CAM | CAN | H7 | 56.2° | 60.0° |
| H5 | CAM | CAN | H6 | 64.7° | 60.1° |
| H5 | CAM | CAN | H7 | 175.7° | 180.0° |
| H6 | CAN | CAP | H8 | 68.6° | 179.9° |
| H6 | CAN | CAP | H9 | 50.8° | 60.0° |
| H7 | CAN | CAP | H8 | 171.8° | 60.0° |
| H7 | CAN | CAP | H9 | 68.8° | 179.9° |
| H12 | CG2 | H13 | H14 | 120.0° | 120.0° |
| H17 | CA | N | H23 | 86.3° | 88.9° |
| H19 | CAL | CAK | H20 | 176.3° | 180.0° |
| H19 | CAL | CAK | H21 | 64.7° | 60.0° |
| H19 | CAL | N | H23 | 4.3° | 176.1° |
| H20 | CAK | CAJ | H22 | 62.3° | 175.1° |
| H20 | CAK | CAL | H24 | 59.1° | 60.0° |
| H21 | CAK | CAJ | H22 | 56.7° | 65.0° |
| H21 | CAK | CAL | H24 | 178.1° | 180.0° |
| H23 | N | CAL | H24 | 121.5° | 64.0° |
