GEK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.22Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.51Å | |
| C | OXT | doub | 1.22Å | 1.24Å | |
| N | CA | sing | 1.47Å | 1.52Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| N1 | C2 | doub | 1.32Å | 1.39Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.33Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.36Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | doub | 1.33Å | 1.31Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.36Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.32Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.46Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.38Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | C1' | sing | 1.47Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| SD | CE | sing | 1.82Å | 1.79Å | |
| SD | CG | sing | 1.81Å | 1.81Å | |
| SD | C5' | sing | 1.81Å | 1.81Å | |
| CE | CZ | sing | 1.51Å | 1.51Å | |
| CE | HE | sing | 1.09Å | 1.10Å | |
| CE | HEA | sing | 1.09Å | 1.10Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| CZ | OZ1 | doub | 1.22Å | 1.33Å | |
| CZ | OZ2 | sing | 1.22Å | 1.34Å | |
| C1' | C2' | sing | 1.55Å | 1.50Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | O2' | sing | 1.43Å | 1.40Å | |
| C2' | C3' | sing | 1.55Å | 1.51Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.54Å | 1.51Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| N | H22 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 114.1° | 120.0° |
| O | C | OXT | 129.5° | 120.0° |
| CA | C | OXT | 116.4° | 120.0° |
| C | CA | N | 111.1° | 109.4° |
| C | CA | CB | 109.7° | 109.5° |
| C | CA | HA | 107.9° | 109.5° |
| CA | N | HN | 109.5° | 109.4° |
| CA | N | HNA | 109.5° | 109.5° |
| N | CA | CB | 112.5° | 109.5° |
| N | CA | HA | 107.8° | 109.4° |
| CA | N | H22 | 109.4° | 109.5° |
| HN | N | HNA | 109.4° | 109.4° |
| HN | N | H22 | 109.5° | 109.5° |
| HNA | N | H22 | 109.5° | 109.5° |
| C2 | N1 | C6 | 123.9° | 121.2° |
| N1 | C2 | N3 | 116.5° | 122.4° |
| N1 | C2 | H2 | 121.8° | 118.8° |
| N1 | C6 | C5 | 118.3° | 118.5° |
| N1 | C6 | N6 | 119.5° | 120.8° |
| N3 | C2 | H2 | 121.8° | 118.8° |
| C2 | N3 | C4 | 120.2° | 120.7° |
| N3 | C4 | C5 | 122.8° | 119.0° |
| N3 | C4 | N9 | 131.4° | 134.9° |
| C5 | C4 | N9 | 105.7° | 106.0° |
| C4 | C5 | C6 | 118.1° | 118.2° |
| C4 | C5 | N7 | 110.6° | 107.1° |
| C4 | N9 | C8 | 106.7° | 107.4° |
| C4 | N9 | C1' | 123.2° | 126.3° |
| C6 | C5 | N7 | 130.8° | 134.7° |
| C5 | C6 | N6 | 122.2° | 120.8° |
| C5 | N7 | C8 | 107.4° | 109.4° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.4° | 120.0° |
| HN6 | N6 | HN6A | 109.5° | 120.0° |
| N7 | C8 | N9 | 109.2° | 110.0° |
| N7 | C8 | H8 | 125.4° | 125.0° |
| N9 | C8 | H8 | 125.4° | 125.0° |
| C8 | N9 | C1' | 129.7° | 126.3° |
| N9 | C1' | C2' | 115.4° | 110.6° |
| N9 | C1' | O4' | 105.2° | 110.6° |
| N9 | C1' | H1' | 110.6° | 110.6° |
| CB | CA | HA | 107.6° | 109.5° |
| CA | CB | CG | 111.6° | 109.5° |
| CA | CB | HB | 109.0° | 109.5° |
| CA | CB | HBA | 108.9° | 109.5° |
| CG | CB | HB | 108.9° | 109.4° |
| CG | CB | HBA | 109.0° | 109.5° |
| CB | CG | SD | 109.7° | 109.5° |
| CB | CG | HG | 109.4° | 109.5° |
| CB | CG | HGA | 109.4° | 109.5° |
| HB | CB | HBA | 109.4° | 109.5° |
| CE | SD | CG | 103.3° | 103.0° |
| CE | SD | C5' | 106.6° | 103.0° |
| SD | CE | CZ | 112.4° | 109.4° |
| SD | CE | HE | 108.7° | 109.4° |
| SD | CE | HEA | 108.8° | 109.4° |
| CG | SD | C5' | 99.8° | 103.0° |
| SD | CG | HG | 109.4° | 109.5° |
| SD | CG | HGA | 109.4° | 109.4° |
| SD | C5' | C4' | 110.6° | 109.5° |
| SD | C5' | H5' | 109.2° | 109.4° |
| SD | C5' | H5'A | 109.2° | 109.5° |
| CZ | CE | HE | 108.7° | 109.5° |
| CZ | CE | HEA | 108.7° | 109.5° |
| CE | CZ | OZ1 | 114.0° | 120.0° |
| CE | CZ | OZ2 | 119.0° | 120.0° |
| HE | CE | HEA | 109.5° | 109.5° |
| HG | CG | HGA | 109.5° | 109.5° |
| OZ1 | CZ | OZ2 | 125.3° | 120.0° |
| C2' | C1' | O4' | 103.9° | 103.5° |
| C2' | C1' | H1' | 110.1° | 110.6° |
| C1' | C2' | O2' | 113.5° | 110.9° |
| C1' | C2' | C3' | 101.6° | 102.1° |
| C1' | C2' | H2' | 108.1° | 111.0° |
| O4' | C1' | H1' | 111.3° | 110.8° |
| C1' | O4' | C4' | 103.4° | 107.0° |
| O2' | C2' | C3' | 115.8° | 110.9° |
| O2' | C2' | H2' | 109.4° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C3' | C2' | H2' | 108.0° | 110.9° |
| C2' | C3' | O3' | 112.3° | 110.5° |
| C2' | C3' | C4' | 103.2° | 104.1° |
| C2' | C3' | H3' | 108.5° | 110.5° |
| O3' | C3' | C4' | 114.3° | 110.5° |
| O3' | C3' | H3' | 109.6° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C4' | C3' | H3' | 108.5° | 110.6° |
| C3' | C4' | O4' | 108.0° | 107.3° |
| C3' | C4' | C5' | 111.7° | 109.8° |
| C3' | C4' | H4' | 110.1° | 109.9° |
| O4' | C4' | C5' | 106.3° | 109.9° |
| O4' | C4' | H4' | 111.0° | 109.9° |
| C5' | C4' | H4' | 109.7° | 110.0° |
| C4' | C5' | H5' | 109.2° | 109.5° |
| C4' | C5' | H5'A | 109.2° | 109.5° |
| H5' | C5' | H5'A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 179.0° | 179.8° |
| O | C | CA | N | 160.4° | 170.0° |
| O | C | CA | CB | 74.5° | 69.9° |
| O | C | CA | HA | 42.4° | 50.1° |
| C | CA | N | CB | 123.4° | 120.0° |
| C | CA | N | HA | 118.1° | 120.0° |
| C | CA | N | HN | 180.0° | 179.9° |
| C | CA | N | HNA | 60.0° | 60.1° |
| C | CA | CB | HA | 117.1° | 120.0° |
| C | CA | CB | CG | 170.2° | 175.0° |
| C | CA | CB | HB | 49.9° | 65.0° |
| C | CA | CB | HBA | 69.4° | 55.0° |
| C | CA | N | H22 | 60.0° | 60.0° |
| OXT | C | CA | N | 18.6° | 9.8° |
| OXT | C | CA | CB | 106.5° | 110.3° |
| OXT | C | CA | HA | 136.6° | 129.7° |
| CA | N | HN | HNA | 120.0° | 119.9° |
| CA | N | HN | H22 | 120.0° | 120.0° |
| CA | N | HNA | H22 | 120.0° | 120.0° |
| N | CA | CB | HA | 118.6° | 120.0° |
| N | CA | CB | CG | 46.0° | 65.0° |
| N | CA | CB | HB | 74.3° | 55.0° |
| N | CA | CB | HBA | 166.3° | 175.0° |
| HN | N | HNA | H22 | 120.0° | 120.1° |
| HN | N | CA | CB | 56.6° | 60.0° |
| HN | N | CA | HA | 61.9° | 60.0° |
| HNA | N | CA | CB | 176.5° | 179.9° |
| HNA | N | CA | HA | 58.1° | 59.9° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.9° | 0.0° |
| C2 | N1 | C6 | C5 | 2.2° | 0.1° |
| C2 | N1 | C6 | N6 | 178.2° | 180.0° |
| C6 | N1 | C2 | N3 | 0.3° | 0.0° |
| C6 | N1 | C2 | H2 | 179.7° | 180.0° |
| N1 | C6 | C5 | C4 | 4.6° | 0.1° |
| N1 | C6 | C5 | N6 | 179.6° | 180.0° |
| N1 | C6 | C5 | N7 | 175.5° | 179.9° |
| N1 | C6 | N6 | HN6 | 0.0° | 0.0° |
| N1 | C6 | N6 | HN6A | 120.0° | 179.9° |
| C2 | N3 | C4 | C5 | 3.6° | 0.0° |
| C2 | N3 | C4 | N9 | 179.6° | 180.0° |
| H2 | C2 | N3 | C4 | 179.1° | 179.9° |
| N3 | C4 | C5 | N9 | 176.9° | 180.0° |
| N3 | C4 | C5 | C6 | 5.5° | 0.0° |
| N3 | C4 | C5 | N7 | 178.1° | 180.0° |
| N3 | C4 | N9 | C8 | 177.3° | 180.0° |
| N3 | C4 | N9 | C1' | 4.3° | 0.1° |
| C4 | C5 | C6 | N7 | 170.9° | 180.0° |
| C4 | C5 | C6 | N6 | 175.8° | 180.0° |
| C4 | C5 | N7 | C8 | 7.2° | 0.0° |
| C5 | C4 | N9 | C8 | 0.7° | 0.0° |
| C5 | C4 | N9 | C1' | 172.2° | 179.9° |
| N9 | C4 | C5 | C6 | 177.6° | 180.0° |
| N9 | C4 | C5 | N7 | 4.9° | 0.0° |
| C4 | N9 | C8 | N7 | 3.6° | 0.0° |
| C4 | N9 | C8 | C1' | 172.3° | 179.9° |
| C4 | N9 | C8 | H8 | 176.4° | 180.0° |
| C4 | N9 | C1' | C2' | 133.5° | 85.0° |
| C4 | N9 | C1' | O4' | 112.7° | 160.9° |
| C4 | N9 | C1' | H1' | 7.6° | 37.8° |
| C5 | C6 | N6 | HN6 | 179.5° | 180.0° |
| C5 | C6 | N6 | HN6A | 59.5° | 0.0° |
| C6 | C5 | N7 | C8 | 178.6° | 180.0° |
| N7 | C5 | C6 | N6 | 4.9° | 0.0° |
| C5 | N7 | C8 | N9 | 6.6° | 0.0° |
| C5 | N7 | C8 | H8 | 173.4° | 180.0° |
| C6 | N6 | HN6 | HN6A | 120.0° | 179.9° |
| N7 | C8 | N9 | H8 | 180.0° | 179.9° |
| N7 | C8 | N9 | C1' | 175.9° | 179.9° |
| C8 | N9 | C1' | C2' | 55.3° | 95.0° |
| C8 | N9 | C1' | O4' | 58.6° | 19.0° |
| C8 | N9 | C1' | H1' | 178.9° | 142.1° |
| H8 | C8 | N9 | C1' | 4.1° | 0.1° |
| N9 | C1' | C2' | O4' | 114.6° | 118.5° |
| N9 | C1' | C2' | H1' | 126.1° | 122.8° |
| N9 | C1' | O4' | H1' | 119.8° | 123.0° |
| N9 | C1' | C2' | O2' | 77.4° | 86.3° |
| N9 | C1' | C2' | C3' | 157.5° | 155.5° |
| N9 | C1' | C2' | H2' | 44.1° | 37.3° |
| N9 | C1' | O4' | C4' | 164.9° | 158.6° |
| CA | CB | CG | HB | 120.3° | 120.0° |
| CA | CB | CG | HBA | 120.3° | 120.1° |
| CA | CB | HB | HBA | 119.0° | 120.0° |
| CA | CB | CG | SD | 148.7° | 180.0° |
| CA | CB | CG | HG | 28.7° | 60.0° |
| CA | CB | CG | HGA | 91.3° | 60.0° |
| CB | CA | N | H22 | 63.4° | 60.0° |
| HA | CA | CB | CG | 72.7° | 55.0° |
| HA | CA | CB | HB | 167.0° | 174.9° |
| HA | CA | CB | HBA | 47.7° | 65.1° |
| HA | CA | N | H22 | 178.1° | 180.0° |
| CG | CB | HB | HBA | 119.0° | 120.0° |
| CB | CG | SD | CE | 66.6° | 73.1° |
| CB | CG | SD | HG | 120.0° | 120.0° |
| CB | CG | SD | HGA | 120.0° | 120.0° |
| CB | CG | SD | C5' | 176.4° | 180.0° |
| CB | CG | HG | HGA | 119.9° | 120.0° |
| HB | CB | CG | SD | 91.0° | 60.0° |
| HB | CB | CG | HG | 149.0° | 180.0° |
| HB | CB | CG | HGA | 29.0° | 60.0° |
| HBA | CB | CG | SD | 28.3° | 60.0° |
| HBA | CB | CG | HG | 91.7° | 60.1° |
| HBA | CB | CG | HGA | 148.4° | 179.9° |
| CE | SD | CG | C5' | 109.8° | 106.9° |
| SD | CE | CZ | HE | 120.4° | 120.0° |
| SD | CE | CZ | HEA | 120.4° | 120.0° |
| SD | CE | HE | HEA | 118.7° | 119.9° |
| CE | SD | CG | HG | 173.4° | 166.8° |
| CE | SD | CG | HGA | 53.4° | 46.8° |
| SD | CE | CZ | OZ1 | 168.3° | 6.8° |
| SD | CE | CZ | OZ2 | 2.5° | 173.2° |
| CE | SD | C5' | C4' | 180.0° | 61.6° |
| CE | SD | C5' | H5' | 59.8° | 178.4° |
| CE | SD | C5' | H5'A | 59.8° | 58.4° |
| CG | SD | CE | CZ | 172.0° | 56.9° |
| CG | SD | CE | HE | 67.6° | 63.1° |
| CG | SD | CE | HEA | 51.6° | 176.9° |
| SD | CG | HG | HGA | 119.9° | 120.0° |
| CG | SD | C5' | C4' | 72.8° | 168.5° |
| CG | SD | C5' | H5' | 47.3° | 71.6° |
| CG | SD | C5' | H5'A | 167.0° | 48.5° |
| C5' | SD | CE | CZ | 83.4° | 50.0° |
| C5' | SD | CE | HE | 37.0° | 170.0° |
| C5' | SD | CE | HEA | 156.2° | 70.0° |
| C5' | SD | CG | HG | 63.6° | 60.0° |
| C5' | SD | CG | HGA | 56.4° | 60.0° |
| SD | C5' | C4' | C3' | 79.6° | 174.8° |
| SD | C5' | C4' | O4' | 162.9° | 67.3° |
| SD | C5' | C4' | H5' | 120.2° | 119.9° |
| SD | C5' | C4' | H5'A | 120.2° | 120.0° |
| SD | C5' | C4' | H4' | 42.8° | 53.8° |
| SD | C5' | H5' | H5'A | 119.5° | 120.0° |
| CZ | CE | HE | HEA | 118.7° | 120.1° |
| CE | CZ | OZ1 | OZ2 | 164.8° | 180.0° |
| HE | CE | CZ | OZ1 | 47.9° | 113.2° |
| HE | CE | CZ | OZ2 | 117.9° | 66.8° |
| HEA | CE | CZ | OZ1 | 71.3° | 126.8° |
| HEA | CE | CZ | OZ2 | 122.9° | 53.2° |
| C2' | C1' | O4' | H1' | 118.5° | 118.6° |
| C1' | C2' | O2' | C3' | 117.0° | 112.7° |
| C1' | C2' | O2' | H2' | 120.7° | 123.7° |
| C1' | C2' | C3' | H2' | 113.5° | 118.3° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C1' | C2' | C3' | O3' | 98.5° | 97.7° |
| C1' | C2' | C3' | C4' | 25.2° | 20.9° |
| C1' | C2' | C3' | H3' | 140.2° | 139.7° |
| C2' | C1' | O4' | C4' | 43.2° | 40.1° |
| O4' | C1' | C2' | O2' | 168.0° | 155.3° |
| O4' | C1' | C2' | C3' | 42.9° | 37.1° |
| O4' | C1' | C2' | H2' | 70.5° | 81.2° |
| C1' | O4' | C4' | C3' | 26.7° | 26.6° |
| C1' | O4' | C4' | C5' | 146.6° | 146.0° |
| C1' | O4' | C4' | H4' | 94.2° | 92.9° |
| H1' | C1' | C2' | O2' | 48.7° | 36.6° |
| H1' | C1' | C2' | C3' | 76.4° | 81.6° |
| H1' | C1' | C2' | H2' | 170.1° | 160.1° |
| H1' | C1' | O4' | C4' | 75.3° | 78.4° |
| O2' | C2' | C3' | H2' | 123.0° | 123.5° |
| O2' | C2' | C3' | O3' | 25.0° | 20.5° |
| O2' | C2' | C3' | C4' | 148.7° | 139.1° |
| O2' | C2' | C3' | H3' | 96.3° | 102.1° |
| C3' | C2' | O2' | HO2' | 63.0° | 67.3° |
| C2' | C3' | O3' | C4' | 117.2° | 114.7° |
| C2' | C3' | O3' | H3' | 120.7° | 122.6° |
| C2' | C3' | C4' | H3' | 115.0° | 118.7° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
| C2' | C3' | C4' | O4' | 0.2° | 2.1° |
| C2' | C3' | C4' | C5' | 116.3° | 121.5° |
| C2' | C3' | C4' | H4' | 121.5° | 117.4° |
| H2' | C2' | O2' | HO2' | 59.2° | 56.4° |
| H2' | C2' | C3' | O3' | 148.0° | 144.0° |
| H2' | C2' | C3' | C4' | 88.3° | 97.4° |
| H2' | C2' | C3' | H3' | 26.7° | 21.4° |
| O3' | C3' | C4' | H3' | 122.7° | 122.7° |
| O3' | C3' | C4' | O4' | 122.1° | 120.7° |
| O3' | C3' | C4' | C5' | 121.4° | 119.9° |
| O3' | C3' | C4' | H4' | 0.8° | 1.2° |
| C4' | C3' | O3' | HO3' | 62.8° | 176.2° |
| C3' | C4' | O4' | C5' | 120.0° | 119.4° |
| C3' | C4' | O4' | H4' | 120.8° | 119.5° |
| C3' | C4' | C5' | H4' | 122.4° | 121.1° |
| C3' | C4' | C5' | H5' | 160.2° | 65.2° |
| C3' | C4' | C5' | H5'A | 40.6° | 54.9° |
| H3' | C3' | O3' | HO3' | 59.3° | 61.0° |
| H3' | C3' | C4' | O4' | 115.2° | 116.7° |
| H3' | C3' | C4' | C5' | 1.3° | 2.8° |
| H3' | C3' | C4' | H4' | 123.5° | 123.9° |
| O4' | C4' | C5' | H4' | 120.1° | 121.1° |
| O4' | C4' | C5' | H5' | 42.7° | 52.6° |
| O4' | C4' | C5' | H5'A | 77.0° | 172.7° |
| C4' | C5' | H5' | H5'A | 119.5° | 120.1° |
| H4' | C4' | C5' | H5' | 77.4° | 173.7° |
| H4' | C4' | C5' | H5'A | 163.0° | 66.2° |
