KR3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| NZ | CE | sing | 1.46Å | 1.51Å | |
| NZ | C1 | sing | 1.35Å | 1.68Å | |
| O3 | C4 | sing | 1.45Å | 1.41Å | |
| O3 | C1 | sing | 1.35Å | 1.37Å | |
| CE | CD | sing | 1.53Å | 1.52Å | |
| CG | CB | sing | 1.53Å | 1.51Å | |
| CG | CD | sing | 1.53Å | 1.52Å | |
| N | CA | sing | 1.47Å | 1.51Å | |
| C1 | O2 | doub | 1.21Å | 1.21Å | |
| CB | CA | sing | 1.53Å | 1.51Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.32Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| CG | H12 | sing | 1.09Å | 1.10Å | |
| CG | H13 | sing | 1.09Å | 1.10Å | |
| CD | H14 | sing | 1.09Å | 1.10Å | |
| CD | H15 | sing | 1.09Å | 1.10Å | |
| CE | H16 | sing | 1.09Å | 1.10Å | |
| CE | H17 | sing | 1.09Å | 1.10Å | |
| NZ | H18 | sing | 0.97Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | O3 | 104.2° | 109.5° |
| C4 | C5 | H7 | 109.5° | 109.5° |
| C4 | C5 | H8 | 109.5° | 109.5° |
| C4 | C5 | H9 | 109.5° | 109.4° |
| C5 | C4 | H10 | 110.8° | 109.5° |
| C5 | C4 | H11 | 110.8° | 109.5° |
| CE | NZ | C1 | 111.0° | 120.0° |
| NZ | CE | CD | 113.5° | 109.5° |
| NZ | CE | H16 | 108.4° | 109.5° |
| NZ | CE | H17 | 108.5° | 109.5° |
| CE | NZ | H18 | 124.5° | 120.0° |
| NZ | C1 | O3 | 114.0° | 120.0° |
| NZ | C1 | O2 | 124.1° | 120.0° |
| C1 | NZ | H18 | 124.5° | 120.0° |
| C4 | O3 | C1 | 122.6° | 117.0° |
| O3 | C4 | H10 | 110.8° | 109.5° |
| O3 | C4 | H11 | 110.8° | 109.4° |
| O3 | C1 | O2 | 121.9° | 120.0° |
| CE | CD | CG | 109.9° | 109.5° |
| CE | CD | H14 | 109.4° | 109.5° |
| CE | CD | H15 | 109.3° | 109.5° |
| CD | CE | H16 | 108.5° | 109.5° |
| CD | CE | H17 | 108.4° | 109.5° |
| CB | CG | CD | 108.5° | 109.5° |
| CG | CB | CA | 113.6° | 109.5° |
| CG | CB | H5 | 108.5° | 109.5° |
| CG | CB | H6 | 108.4° | 109.4° |
| CB | CG | H12 | 109.7° | 109.5° |
| CB | CG | H13 | 109.7° | 109.5° |
| CD | CG | H12 | 109.7° | 109.4° |
| CD | CG | H13 | 109.7° | 109.4° |
| CG | CD | H14 | 109.3° | 109.4° |
| CG | CD | H15 | 109.4° | 109.4° |
| N | CA | CB | 105.1° | 109.4° |
| N | CA | C | 108.3° | 109.5° |
| CA | N | H1 | 109.5° | 111.0° |
| CA | N | H | 109.5° | 111.0° |
| N | CA | H4 | 109.9° | 109.5° |
| CB | CA | C | 113.7° | 109.5° |
| CB | CA | H4 | 109.8° | 109.5° |
| CA | CB | H5 | 108.4° | 109.5° |
| CA | CB | H6 | 108.4° | 109.4° |
| CA | C | O | 118.4° | 120.0° |
| CA | C | OXT | 117.0° | 120.0° |
| C | CA | H4 | 109.9° | 109.5° |
| O | C | OXT | 124.6° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H1 | N | H | 109.5° | 111.0° |
| H5 | CB | H6 | 109.4° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H7 | C5 | H9 | 109.4° | 109.5° |
| H8 | C5 | H9 | 109.4° | 109.4° |
| H10 | C4 | H11 | 109.5° | 109.4° |
| H12 | CG | H13 | 109.5° | 109.4° |
| H14 | CD | H15 | 109.5° | 109.4° |
| H16 | CE | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | O3 | H10 | 119.2° | 120.1° |
| C5 | C4 | O3 | H11 | 119.2° | 120.0° |
| C5 | C4 | O3 | C1 | 175.5° | 180.0° |
| C4 | C5 | H7 | H8 | 120.0° | 120.0° |
| C4 | C5 | H7 | H9 | 120.0° | 120.0° |
| C4 | C5 | H8 | H9 | 120.0° | 119.9° |
| C5 | C4 | H10 | H11 | 122.5° | 120.0° |
| CE | NZ | C1 | H18 | 180.0° | 180.0° |
| CE | NZ | C1 | O3 | 157.5° | 180.0° |
| NZ | CE | CD | H16 | 120.6° | 120.0° |
| NZ | CE | CD | H17 | 120.6° | 120.0° |
| NZ | CE | CD | CG | 128.4° | 180.0° |
| CE | NZ | C1 | O2 | 22.3° | 0.0° |
| NZ | CE | CD | H14 | 111.5° | 60.0° |
| NZ | CE | CD | H15 | 8.3° | 60.0° |
| NZ | CE | H16 | H17 | 118.2° | 120.0° |
| NZ | C1 | O3 | C4 | 124.9° | 180.0° |
| NZ | C1 | O3 | O2 | 179.8° | 180.0° |
| C1 | NZ | CE | CD | 59.4° | 180.0° |
| C1 | NZ | CE | H16 | 180.0° | 60.0° |
| C1 | NZ | CE | H17 | 61.2° | 60.0° |
| C4 | O3 | C1 | O2 | 55.3° | 0.0° |
| O3 | C4 | C5 | H7 | 180.0° | 60.0° |
| O3 | C4 | C5 | H8 | 60.0° | 180.0° |
| O3 | C4 | C5 | H9 | 60.0° | 60.1° |
| O3 | C4 | H10 | H11 | 122.4° | 120.0° |
| C1 | O3 | C4 | H10 | 65.3° | 59.9° |
| C1 | O3 | C4 | H11 | 56.3° | 60.0° |
| O3 | C1 | NZ | H18 | 22.5° | 0.0° |
| CE | CD | CG | CB | 154.3° | 180.0° |
| CE | CD | CG | H14 | 120.1° | 120.1° |
| CE | CD | CG | H15 | 120.0° | 120.0° |
| CE | CD | CG | H12 | 85.8° | 59.9° |
| CE | CD | CG | H13 | 34.5° | 60.0° |
| CE | CD | H14 | H15 | 119.8° | 120.0° |
| CD | CE | H16 | H17 | 118.2° | 119.9° |
| CD | CE | NZ | H18 | 120.6° | 0.0° |
| CB | CG | CD | H12 | 119.8° | 120.1° |
| CB | CG | CD | H13 | 119.8° | 120.0° |
| CG | CB | CA | N | 78.3° | 65.0° |
| CG | CB | CA | H5 | 120.6° | 120.0° |
| CG | CB | CA | H6 | 120.6° | 119.9° |
| CG | CB | CA | C | 163.5° | 175.0° |
| CG | CB | CA | H4 | 39.9° | 55.0° |
| CG | CB | H5 | H6 | 118.1° | 119.9° |
| CB | CG | H12 | H13 | 120.4° | 120.0° |
| CB | CG | CD | H14 | 85.6° | 59.9° |
| CB | CG | CD | H15 | 34.3° | 60.0° |
| CD | CG | CB | CA | 127.7° | 180.0° |
| CD | CG | CB | H5 | 7.0° | 60.0° |
| CD | CG | CB | H6 | 111.7° | 60.0° |
| CD | CG | H12 | H13 | 120.4° | 119.9° |
| CG | CD | H14 | H15 | 119.8° | 119.9° |
| CG | CD | CE | H16 | 7.8° | 60.0° |
| CG | CD | CE | H17 | 111.0° | 60.0° |
| N | CA | CB | C | 118.2° | 119.9° |
| N | CA | CB | H4 | 118.2° | 120.0° |
| N | CA | C | H4 | 120.1° | 120.0° |
| N | CA | C | O | 141.5° | 20.0° |
| N | CA | C | OXT | 39.0° | 160.0° |
| CA | N | H1 | H | 120.0° | 124.0° |
| N | CA | CB | H5 | 161.1° | 55.0° |
| N | CA | CB | H6 | 42.3° | 175.0° |
| O2 | C1 | NZ | H18 | 157.7° | 180.0° |
| CB | CA | C | H4 | 123.5° | 120.1° |
| CB | CA | C | O | 102.1° | 100.0° |
| CB | CA | C | OXT | 77.4° | 80.1° |
| CB | CA | N | H1 | 180.0° | 176.0° |
| CB | CA | N | H | 60.0° | 60.0° |
| CA | CB | H5 | H6 | 118.1° | 120.0° |
| CA | CB | CG | H12 | 7.8° | 60.0° |
| CA | CB | CG | H13 | 112.5° | 60.0° |
| CA | C | O | OXT | 179.5° | 180.0° |
| C | CA | N | H1 | 58.2° | 64.0° |
| C | CA | N | H | 61.8° | 60.0° |
| C | CA | CB | H5 | 42.9° | 65.0° |
| C | CA | CB | H6 | 75.9° | 55.1° |
| CA | C | OXT | HXT | 179.5° | 180.0° |
| O | C | CA | H4 | 21.4° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | H4 | 159.1° | 40.0° |
| H1 | N | CA | H4 | 61.8° | 56.0° |
| H | N | CA | H4 | 178.1° | 180.0° |
| H4 | CA | CB | H5 | 80.7° | 175.0° |
| H4 | CA | CB | H6 | 160.5° | 65.0° |
| H5 | CB | CG | H12 | 112.8° | 180.0° |
| H5 | CB | CG | H13 | 126.9° | 60.0° |
| H6 | CB | CG | H12 | 128.4° | 60.0° |
| H6 | CB | CG | H13 | 8.1° | 180.0° |
| H7 | C5 | H8 | H9 | 120.0° | 120.1° |
| H7 | C5 | C4 | H10 | 60.9° | 180.0° |
| H7 | C5 | C4 | H11 | 60.8° | 60.0° |
| H8 | C5 | C4 | H10 | 59.2° | 59.9° |
| H8 | C5 | C4 | H11 | 179.1° | 60.0° |
| H9 | C5 | C4 | H10 | 179.1° | 60.0° |
| H9 | C5 | C4 | H11 | 59.2° | 180.0° |
| H12 | CG | CD | H14 | 34.3° | 180.0° |
| H12 | CG | CD | H15 | 154.1° | 60.1° |
| H13 | CG | CD | H14 | 154.6° | 60.1° |
| H13 | CG | CD | H15 | 85.5° | 180.0° |
| H14 | CD | CE | H16 | 127.9° | 180.0° |
| H14 | CD | CE | H17 | 9.1° | 60.1° |
| H15 | CD | CE | H16 | 112.2° | 60.0° |
| H15 | CD | CE | H17 | 129.0° | 180.0° |
| H16 | CE | NZ | H18 | 0.0° | 120.0° |
| H17 | CE | NZ | H18 | 118.8° | 120.0° |
