EE3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.15Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| CA | C36 | sing | 1.53Å | 1.51Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| C36 | C37 | sing | 1.53Å | 1.51Å | |
| C37 | C38 | sing | 1.53Å | 1.50Å | |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| C39 | N40 | sing | 1.47Å | 1.47Å | |
| N40 | C41 | sing | 1.35Å | 1.45Å | |
| O47 | C46 | sing | 1.34Å | 1.35Å | Aromatic |
| O47 | C43 | sing | 1.35Å | 1.35Å | Aromatic |
| C46 | N45 | doub | 1.31Å | 1.32Å | Aromatic |
| C43 | C41 | sing | 1.47Å | 1.51Å | |
| C43 | C44 | doub | 1.36Å | 1.38Å | Aromatic |
| C41 | O42 | doub | 1.22Å | 1.18Å | |
| N45 | C44 | sing | 1.34Å | 1.32Å | Aromatic |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C36 | H1 | sing | 1.09Å | 1.10Å | |
| C36 | H3 | sing | 1.09Å | 1.10Å | |
| C37 | H4 | sing | 1.09Å | 1.10Å | |
| C37 | H5 | sing | 1.09Å | 1.10Å | |
| C38 | H6 | sing | 1.09Å | 1.10Å | |
| C38 | H7 | sing | 1.09Å | 1.10Å | |
| C39 | H8 | sing | 1.09Å | 1.10Å | |
| C39 | H9 | sing | 1.09Å | 1.10Å | |
| C44 | H10 | sing | 1.08Å | 1.08Å | |
| C46 | H11 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N40 | H16 | sing | 0.97Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 1.42Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 120.6° | 120.0° |
| O | C | OXT | 121.4° | 120.0° |
| C | CA | C36 | 110.0° | 109.4° |
| C | CA | N | 105.3° | 109.5° |
| C | CA | HA | 108.4° | 109.5° |
| CA | C | OXT | 118.1° | 120.0° |
| C36 | CA | N | 115.2° | 109.4° |
| CA | C36 | C37 | 111.8° | 109.5° |
| C36 | CA | HA | 108.6° | 109.4° |
| CA | C36 | H1 | 108.9° | 109.5° |
| CA | C36 | H3 | 108.9° | 109.4° |
| N | CA | HA | 109.2° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| C36 | C37 | C38 | 110.9° | 109.5° |
| C37 | C36 | H1 | 108.9° | 109.5° |
| C37 | C36 | H3 | 108.9° | 109.5° |
| C36 | C37 | H4 | 109.1° | 109.5° |
| C36 | C37 | H5 | 109.1° | 109.4° |
| C37 | C38 | C39 | 112.4° | 109.5° |
| C38 | C37 | H4 | 109.1° | 109.5° |
| C38 | C37 | H5 | 109.1° | 109.5° |
| C37 | C38 | H6 | 108.7° | 109.5° |
| C37 | C38 | H7 | 108.7° | 109.4° |
| C38 | C39 | N40 | 113.1° | 109.5° |
| C39 | C38 | H6 | 108.8° | 109.5° |
| C39 | C38 | H7 | 108.8° | 109.5° |
| C38 | C39 | H8 | 108.6° | 109.5° |
| C38 | C39 | H9 | 108.5° | 109.4° |
| C39 | N40 | C41 | 121.4° | 120.0° |
| N40 | C39 | H8 | 108.5° | 109.5° |
| N40 | C39 | H9 | 108.5° | 109.5° |
| C39 | N40 | H16 | 119.3° | 120.0° |
| N40 | C41 | C43 | 118.6° | 120.0° |
| N40 | C41 | O42 | 121.7° | 120.0° |
| C41 | N40 | H16 | 119.3° | 120.0° |
| C46 | O47 | C43 | 107.0° | 107.7° |
| O47 | C46 | N45 | 108.8° | 109.2° |
| O47 | C46 | H11 | 125.6° | 125.4° |
| O47 | C43 | C41 | 127.8° | 126.7° |
| O47 | C43 | C44 | 107.2° | 106.7° |
| C46 | N45 | C44 | 109.8° | 109.0° |
| N45 | C46 | H11 | 125.6° | 125.4° |
| C41 | C43 | C44 | 124.9° | 126.6° |
| C43 | C41 | O42 | 119.6° | 120.0° |
| C43 | C44 | N45 | 107.2° | 107.4° |
| C43 | C44 | H10 | 126.4° | 126.3° |
| N45 | C44 | H10 | 126.4° | 126.2° |
| H1 | C36 | H3 | 109.5° | 109.5° |
| H4 | C37 | H5 | 109.5° | 109.5° |
| H6 | C38 | H7 | 109.5° | 109.5° |
| H8 | C39 | H9 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 110.9° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 179.5° | 179.9° |
| O | C | CA | C36 | 57.3° | 100.0° |
| O | C | CA | N | 178.0° | 20.0° |
| O | C | CA | HA | 61.2° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | CA | C36 | N | 118.8° | 120.0° |
| C | CA | C36 | HA | 118.5° | 119.9° |
| C | CA | N | HA | 116.3° | 120.0° |
| C | CA | C36 | C37 | 57.4° | 175.0° |
| C | CA | C36 | H1 | 62.9° | 65.0° |
| C | CA | C36 | H3 | 177.8° | 55.0° |
| C | CA | N | H | 180.0° | 63.9° |
| C | CA | N | H2 | 60.0° | 59.9° |
| CA | C | OXT | HXT | 179.5° | 180.0° |
| C36 | CA | N | HA | 122.4° | 120.0° |
| CA | C36 | C37 | H1 | 120.3° | 120.0° |
| CA | C36 | C37 | H3 | 120.4° | 120.0° |
| CA | C36 | C37 | C38 | 175.3° | 180.0° |
| CA | C36 | H1 | H3 | 118.9° | 120.0° |
| CA | C36 | C37 | H4 | 64.5° | 60.0° |
| CA | C36 | C37 | H5 | 55.0° | 60.0° |
| C36 | CA | N | H | 58.7° | 176.1° |
| C36 | CA | N | H2 | 178.7° | 60.0° |
| C36 | CA | C | OXT | 122.2° | 80.0° |
| N | CA | C36 | C37 | 61.4° | 65.0° |
| N | CA | C36 | H1 | 178.3° | 55.0° |
| N | CA | C36 | H3 | 59.0° | 175.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | C | OXT | 2.5° | 160.0° |
| C36 | C37 | C38 | H4 | 120.2° | 120.0° |
| C36 | C37 | C38 | H5 | 120.2° | 119.9° |
| C36 | C37 | C38 | C39 | 141.4° | NaN° |
| C37 | C36 | CA | HA | 175.9° | 55.0° |
| C37 | C36 | H1 | H3 | 118.9° | 120.0° |
| C36 | C37 | H4 | H5 | 119.3° | 119.9° |
| C36 | C37 | C38 | H6 | 98.2° | 60.0° |
| C36 | C37 | C38 | H7 | 20.9° | 60.0° |
| C37 | C38 | C39 | H6 | 120.4° | 120.0° |
| C37 | C38 | C39 | H7 | 120.4° | 120.0° |
| C37 | C38 | C39 | N40 | 170.7° | 180.0° |
| C38 | C37 | C36 | H1 | 54.9° | 60.0° |
| C38 | C37 | C36 | H3 | 64.4° | 60.0° |
| C38 | C37 | H4 | H5 | 119.3° | 120.0° |
| C37 | C38 | H6 | H7 | 118.6° | 120.0° |
| C37 | C38 | C39 | H8 | 68.8° | 60.0° |
| C37 | C38 | C39 | H9 | 50.1° | 60.0° |
| C38 | C39 | N40 | H8 | 120.5° | 120.0° |
| C38 | C39 | N40 | H9 | 120.5° | 119.9° |
| C38 | C39 | N40 | C41 | 144.7° | 180.0° |
| C39 | C38 | C37 | H4 | 21.1° | 60.0° |
| C39 | C38 | C37 | H5 | 98.4° | 60.1° |
| C39 | C38 | H6 | H7 | 118.7° | 120.0° |
| C38 | C39 | H8 | H9 | 118.4° | 119.9° |
| C38 | C39 | N40 | H16 | 35.4° | 0.1° |
| C39 | N40 | C41 | H16 | 180.0° | 179.9° |
| C39 | N40 | C41 | C43 | 178.7° | 179.9° |
| C39 | N40 | C41 | O42 | 2.4° | 0.0° |
| N40 | C39 | C38 | H6 | 50.2° | 59.9° |
| N40 | C39 | C38 | H7 | 68.9° | 60.1° |
| N40 | C39 | H8 | H9 | 118.3° | 120.0° |
| N40 | C41 | C43 | O47 | 0.1° | 0.3° |
| N40 | C41 | C43 | O42 | 176.3° | 179.9° |
| N40 | C41 | C43 | C44 | 175.9° | 180.0° |
| C41 | N40 | C39 | H8 | 24.1° | 60.0° |
| C41 | N40 | C39 | H9 | 94.8° | 60.1° |
| O47 | C46 | N45 | H11 | 180.0° | 179.7° |
| C46 | O47 | C43 | C41 | 177.4° | 179.9° |
| C46 | O47 | C43 | C44 | 1.0° | 0.4° |
| O47 | C46 | N45 | C44 | 0.4° | 0.2° |
| C43 | O47 | C46 | N45 | 0.9° | 0.4° |
| O47 | C43 | C41 | C44 | 175.7° | 179.6° |
| O47 | C43 | C41 | O42 | 176.2° | 179.7° |
| O47 | C43 | C44 | N45 | 0.8° | 0.3° |
| O47 | C43 | C44 | H10 | 179.3° | 179.8° |
| C43 | O47 | C46 | H11 | 179.1° | 179.9° |
| C46 | N45 | C44 | C43 | 0.2° | 0.0° |
| C46 | N45 | C44 | H10 | 179.8° | 179.9° |
| C41 | C43 | C44 | N45 | 177.2° | 180.0° |
| C41 | C43 | C44 | H10 | 2.8° | 0.1° |
| C43 | C41 | N40 | H16 | 1.3° | 0.0° |
| C44 | C43 | C41 | O42 | 0.5° | 0.1° |
| C43 | C44 | N45 | H10 | 180.0° | 179.9° |
| O42 | C41 | N40 | H16 | 177.6° | 179.9° |
| C44 | N45 | C46 | H11 | 179.6° | 180.0° |
| HA | CA | C36 | H1 | 55.5° | 175.0° |
| HA | CA | C36 | H3 | 63.8° | 65.0° |
| HA | CA | N | H | 63.7° | 56.1° |
| HA | CA | N | H2 | 56.3° | 180.0° |
| HA | CA | C | OXT | 119.3° | 39.9° |
| H1 | C36 | C37 | H4 | 175.1° | 180.0° |
| H1 | C36 | C37 | H5 | 65.3° | 60.0° |
| H3 | C36 | C37 | H4 | 55.8° | 60.0° |
| H3 | C36 | C37 | H5 | 175.4° | 180.0° |
| H4 | C37 | C38 | H6 | 141.6° | 180.0° |
| H4 | C37 | C38 | H7 | 99.3° | 60.0° |
| H5 | C37 | C38 | H6 | 22.0° | 60.0° |
| H5 | C37 | C38 | H7 | 141.1° | 180.0° |
| H6 | C38 | C39 | H8 | 170.8° | 180.0° |
| H6 | C38 | C39 | H9 | 70.3° | 60.0° |
| H7 | C38 | C39 | H8 | 51.6° | 60.0° |
| H7 | C38 | C39 | H9 | 170.6° | 180.0° |
| H8 | C39 | N40 | H16 | 155.9° | 119.9° |
| H9 | C39 | N40 | H16 | 85.1° | 120.0° |
