3GE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAF | SAP | doub | 1.42Å | 1.44Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| CG1 | CB | sing | 1.53Å | 1.52Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.51Å | |
| SAP | CB | sing | 1.81Å | 1.68Å | |
| SAP | OAE | sing | 1.52Å | 1.44Å | |
| CAK | CAN | sing | 1.51Å | 1.51Å | |
| CAK | OAG | sing | 1.43Å | 1.42Å | |
| CB | CA | sing | 1.53Å | 1.56Å | |
| CB | CG2 | sing | 1.53Å | 1.52Å | |
| N | CA | sing | 1.46Å | 1.47Å | |
| N | CAJ | sing | 1.36Å | 1.27Å | |
| CAN | CAJ | doub | 1.35Å | 1.36Å | |
| CAN | CAI | sing | 1.40Å | 1.47Å | |
| CAI | OAC | doub | 1.22Å | 1.23Å | |
| CAI | H1 | sing | 1.08Å | 1.08Å | |
| CAK | H3 | sing | 1.09Å | 1.10Å | |
| CAK | H4 | sing | 1.09Å | 1.10Å | |
| OAG | H5 | sing | 0.97Å | 0.95Å | |
| CAJ | H6 | sing | 1.08Å | 1.08Å | |
| CA | H7 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CG1 | 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 | |
| N | H20 | sing | 0.97Å | 1.00Å | |
| OAE | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAF | SAP | CB | 111.3° | 109.4° |
| OAF | SAP | OAE | 109.2° | 103.0° |
| O | C | OXT | 122.6° | 120.0° |
| O | C | CA | 119.2° | 120.0° |
| CG1 | CB | SAP | 106.3° | 109.5° |
| CG1 | CB | CA | 113.1° | 109.5° |
| CG1 | CB | CG2 | 108.5° | 109.4° |
| CB | CG1 | H9 | 109.5° | 109.5° |
| CB | CG1 | H10 | 109.4° | 109.5° |
| CB | CG1 | H11 | 109.5° | 109.4° |
| OXT | C | CA | 118.2° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| C | CA | CB | 114.1° | 109.5° |
| C | CA | N | 112.7° | 109.5° |
| C | CA | H7 | 104.9° | 109.4° |
| CB | SAP | OAE | 111.1° | 103.0° |
| SAP | CB | CA | 115.3° | 109.5° |
| SAP | CB | CG2 | 107.9° | 109.5° |
| SAP | OAE | H15 | 109.5° | 114.0° |
| CAN | CAK | OAG | 103.4° | 109.5° |
| CAK | CAN | CAJ | 121.5° | 120.1° |
| CAK | CAN | CAI | 117.8° | 120.0° |
| CAN | CAK | H3 | 111.0° | 109.5° |
| CAN | CAK | H4 | 110.9° | 109.5° |
| OAG | CAK | H3 | 111.0° | 109.4° |
| OAG | CAK | H4 | 111.0° | 109.5° |
| CAK | OAG | H5 | 109.5° | 114.0° |
| CA | CB | CG2 | 105.5° | 109.5° |
| CB | CA | N | 114.0° | 109.5° |
| CB | CA | H7 | 104.5° | 109.5° |
| CB | CG2 | H12 | 109.5° | 109.5° |
| CB | CG2 | H13 | 109.5° | 109.5° |
| CB | CG2 | H14 | 109.5° | 109.5° |
| CA | N | CAJ | 122.4° | 120.0° |
| N | CA | H7 | 105.4° | 109.5° |
| CA | N | H20 | 106.2° | 120.0° |
| N | CAJ | CAN | 122.6° | 120.0° |
| N | CAJ | H6 | 118.7° | 120.0° |
| CAJ | N | H20 | 106.1° | 120.0° |
| CAJ | CAN | CAI | 120.6° | 119.9° |
| CAN | CAJ | H6 | 118.7° | 120.1° |
| CAN | CAI | OAC | 115.1° | 119.9° |
| CAN | CAI | H1 | 122.5° | 120.0° |
| OAC | CAI | H1 | 122.4° | 120.0° |
| H3 | CAK | H4 | 109.5° | 109.4° |
| H9 | CG1 | H10 | 109.5° | 109.4° |
| H9 | CG1 | H11 | 109.5° | 109.5° |
| H10 | CG1 | H11 | 109.4° | 109.4° |
| H12 | CG2 | H13 | 109.4° | 109.4° |
| H12 | CG2 | H14 | 109.5° | 109.5° |
| H13 | CG2 | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAF | SAP | CB | CG1 | 58.2° | 44.5° |
| OAF | SAP | CB | OAE | 121.9° | 109.0° |
| OAF | SAP | CB | CA | 68.1° | 75.5° |
| OAF | SAP | CB | CG2 | 174.4° | 164.5° |
| OAF | SAP | OAE | H15 | 0.0° | 66.1° |
| O | C | OXT | CA | 179.4° | 179.9° |
| O | C | CA | CB | 105.7° | 98.8° |
| O | C | CA | N | 26.4° | 21.2° |
| O | C | CA | H7 | 140.5° | 141.2° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| CG1 | CB | CA | C | 6.9° | 179.9° |
| CG1 | CB | SAP | CA | 126.2° | 120.0° |
| CG1 | CB | SAP | CG2 | 116.2° | 120.0° |
| CG1 | CB | SAP | OAE | 179.9° | 64.5° |
| CG1 | CB | CA | CG2 | 118.4° | 120.0° |
| CG1 | CB | CA | N | 124.5° | 60.0° |
| CG1 | CB | CA | H7 | 121.0° | 60.0° |
| CB | CG1 | H9 | H10 | 120.0° | 120.0° |
| CB | CG1 | H9 | H11 | 120.0° | 120.0° |
| CB | CG1 | H10 | H11 | 120.0° | 119.9° |
| CG1 | CB | CG2 | H12 | 180.0° | 180.0° |
| CG1 | CB | CG2 | H13 | 60.0° | 60.0° |
| CG1 | CB | CG2 | H14 | 60.0° | 60.0° |
| OXT | C | CA | CB | 74.9° | 81.3° |
| OXT | C | CA | N | 153.1° | 158.7° |
| OXT | C | CA | H7 | 38.9° | 38.7° |
| C | CA | CB | SAP | 129.6° | 60.0° |
| C | CA | CB | N | 131.5° | 120.0° |
| C | CA | CB | H7 | 114.0° | 119.9° |
| C | CA | CB | CG2 | 111.5° | 60.0° |
| C | CA | N | H7 | 113.9° | 120.0° |
| C | CA | N | CAJ | 74.3° | 85.0° |
| CA | C | OXT | HXT | 179.4° | 180.0° |
| C | CA | N | H20 | 163.9° | 95.0° |
| SAP | CB | CA | CG2 | 118.9° | 120.0° |
| SAP | CB | CA | N | 1.9° | 60.0° |
| SAP | CB | CA | H7 | 116.4° | 179.9° |
| SAP | CB | CG1 | H9 | 180.0° | 180.0° |
| SAP | CB | CG1 | H10 | 60.0° | 60.0° |
| SAP | CB | CG1 | H11 | 60.0° | 60.0° |
| SAP | CB | CG2 | H12 | 65.2° | 60.0° |
| SAP | CB | CG2 | H13 | 174.8° | 60.0° |
| SAP | CB | CG2 | H14 | 54.7° | 180.0° |
| CB | SAP | OAE | H15 | 123.1° | 180.0° |
| OAE | SAP | CB | CA | 53.8° | 175.5° |
| OAE | SAP | CB | CG2 | 63.7° | 55.5° |
| CAN | CAK | OAG | H3 | 119.0° | 120.0° |
| CAN | CAK | OAG | H4 | 119.0° | 120.0° |
| CAK | CAN | CAJ | N | 2.0° | 3.7° |
| CAK | CAN | CAJ | CAI | 177.4° | 180.0° |
| CAK | CAN | CAI | OAC | 170.0° | 0.0° |
| CAK | CAN | CAI | H1 | 10.0° | 179.7° |
| CAN | CAK | H3 | H4 | 122.8° | 120.0° |
| CAN | CAK | OAG | H5 | 180.0° | 180.0° |
| CAK | CAN | CAJ | H6 | 178.0° | 176.3° |
| OAG | CAK | CAN | CAJ | 91.4° | 123.3° |
| OAG | CAK | CAN | CAI | 86.0° | 56.7° |
| OAG | CAK | H3 | H4 | 122.9° | 120.0° |
| CB | CA | N | H7 | 114.0° | 120.0° |
| CB | CA | N | CAJ | 153.5° | 155.0° |
| CA | CB | CG1 | H9 | 52.5° | 60.0° |
| CA | CB | CG1 | H10 | 67.5° | 180.0° |
| CA | CB | CG1 | H11 | 172.5° | 60.0° |
| CA | CB | CG2 | H12 | 58.5° | 60.0° |
| CA | CB | CG2 | H13 | 61.5° | 180.0° |
| CA | CB | CG2 | H14 | 178.5° | 60.0° |
| CB | CA | N | H20 | 31.8° | 25.0° |
| CG2 | CB | CA | N | 117.1° | 180.0° |
| CG2 | CB | CA | H7 | 2.6° | 60.0° |
| CG2 | CB | CG1 | H9 | 64.2° | 60.0° |
| CG2 | CB | CG1 | H10 | 175.8° | 60.0° |
| CG2 | CB | CG1 | H11 | 55.8° | 180.0° |
| CB | CG2 | H12 | H13 | 120.0° | 120.0° |
| CB | CG2 | H12 | H14 | 120.0° | 120.1° |
| CB | CG2 | H13 | H14 | 120.0° | 120.0° |
| CA | N | CAJ | H20 | 121.8° | 180.0° |
| CA | N | CAJ | CAN | 179.7° | 176.4° |
| CA | N | CAJ | H6 | 0.4° | 3.6° |
| N | CAJ | CAN | H6 | 180.0° | 180.0° |
| N | CAJ | CAN | CAI | 179.4° | 176.3° |
| CAJ | N | CA | H7 | 39.6° | 35.0° |
| CAJ | CAN | CAI | OAC | 7.5° | 180.0° |
| CAJ | CAN | CAI | H1 | 172.6° | 0.3° |
| CAJ | CAN | CAK | H3 | 27.6° | 3.3° |
| CAJ | CAN | CAK | H4 | 149.5° | 116.6° |
| CAN | CAJ | N | H20 | 57.9° | 3.6° |
| CAN | CAI | OAC | H1 | 180.0° | 179.7° |
| CAI | CAN | CAK | H3 | 155.0° | 176.7° |
| CAI | CAN | CAK | H4 | 33.0° | 63.4° |
| CAI | CAN | CAJ | H6 | 0.7° | 3.7° |
| H3 | CAK | OAG | H5 | 61.0° | 59.9° |
| H4 | CAK | OAG | H5 | 61.0° | 60.0° |
| H6 | CAJ | N | H20 | 122.1° | 176.4° |
| H7 | CA | N | H20 | 82.2° | 145.0° |
| H9 | CG1 | H10 | H11 | 120.0° | 120.0° |
| H12 | CG2 | H13 | H14 | 120.0° | 120.0° |
