KY7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | O3 | doub | 1.21Å | 1.17Å | |
| C3 | CA3 | sing | 1.51Å | 1.69Å | |
| O2 | C2 | doub | 1.22Å | 1.20Å | |
| C2 | N3 | sing | 1.35Å | 1.30Å | |
| C2 | CA2 | sing | 1.47Å | 1.46Å | |
| CA3 | N3 | sing | 1.46Å | 1.43Å | |
| N3 | C1 | sing | 1.37Å | 1.33Å | |
| CB2 | CA2 | doub | 1.38Å | 1.40Å | |
| CB2 | CG2 | sing | 1.46Å | 1.50Å | |
| CA2 | N2 | sing | 1.37Å | 1.32Å | |
| C1 | N2 | doub | 1.30Å | 1.26Å | |
| C1 | CA1 | sing | 1.51Å | 1.36Å | |
| CG2 | CD1 | doub | 1.40Å | 1.39Å | Aromatic |
| CG2 | CD2 | sing | 1.40Å | 1.38Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CB1 | CA1 | sing | 1.53Å | 1.39Å | |
| CB1 | SG1 | sing | 1.81Å | 1.78Å | |
| OA | NA | sing | 1.22Å | 1.19Å | |
| CD2 | CE2 | doub | 1.37Å | 1.37Å | Aromatic |
| NA | CE1 | sing | 1.48Å | 1.46Å | |
| NA | OB | doub | 1.22Å | 1.23Å | |
| CA1 | N1 | sing | 1.47Å | 1.64Å | |
| CE1 | CZ | doub | 1.39Å | 1.36Å | Aromatic |
| CE2 | CZ | sing | 1.39Å | 1.35Å | Aromatic |
| CZ | OH | sing | 1.36Å | 1.34Å | |
| N1 | H | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| SG1 | HG1 | sing | 1.35Å | 1.30Å | |
| CB1 | HB11 | sing | 1.09Å | 1.10Å | |
| CB1 | HB12 | sing | 1.09Å | 1.10Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| CB2 | HB2 | sing | 1.08Å | 1.08Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE2 | HE1 | sing | 1.08Å | 1.08Å | |
| OH | H1 | sing | 0.97Å | 0.95Å | |
| C3 | OXT | sing | 1.34Å | 2.17Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | CA3 | 92.4° | 120.0° |
| O3 | C3 | OXT | 114.7° | 120.0° |
| C3 | CA3 | N3 | 117.5° | 109.5° |
| C3 | CA3 | HA31 | 107.4° | 109.5° |
| C3 | CA3 | HA32 | 107.4° | 109.5° |
| CA3 | C3 | OXT | 135.8° | 120.0° |
| O2 | C2 | N3 | 124.7° | 127.3° |
| O2 | C2 | CA2 | 130.4° | 127.4° |
| N3 | C2 | CA2 | 104.9° | 105.2° |
| C2 | N3 | CA3 | 123.7° | 125.8° |
| C2 | N3 | C1 | 109.7° | 108.4° |
| C2 | CA2 | CB2 | 129.8° | 127.1° |
| C2 | CA2 | N2 | 104.1° | 105.8° |
| CA3 | N3 | C1 | 126.5° | 125.8° |
| N3 | CA3 | HA31 | 107.4° | 109.5° |
| N3 | CA3 | HA32 | 107.5° | 109.5° |
| N3 | C1 | N2 | 110.1° | 111.3° |
| N3 | C1 | CA1 | 128.4° | 124.3° |
| CA2 | CB2 | CG2 | 121.4° | 120.0° |
| CB2 | CA2 | N2 | 126.1° | 127.1° |
| CA2 | CB2 | HB2 | 119.3° | 120.0° |
| CB2 | CG2 | CD1 | 121.9° | 120.2° |
| CB2 | CG2 | CD2 | 120.2° | 120.1° |
| CG2 | CB2 | HB2 | 119.3° | 120.0° |
| CA2 | N2 | C1 | 111.3° | 109.3° |
| N2 | C1 | CA1 | 121.5° | 124.3° |
| C1 | CA1 | CB1 | 115.2° | 109.4° |
| C1 | CA1 | N1 | 116.0° | 109.4° |
| C1 | CA1 | HA1 | 105.7° | 109.4° |
| CD1 | CG2 | CD2 | 117.8° | 119.7° |
| CG2 | CD1 | CE1 | 121.1° | 119.8° |
| CG2 | CD1 | HD1 | 119.5° | 120.1° |
| CG2 | CD2 | CE2 | 120.5° | 120.0° |
| CG2 | CD2 | HD2 | 119.8° | 120.0° |
| CD1 | CE1 | NA | 119.8° | 120.0° |
| CD1 | CE1 | CZ | 119.0° | 120.0° |
| CE1 | CD1 | HD1 | 119.5° | 120.1° |
| CA1 | CB1 | SG1 | 105.3° | 109.4° |
| CB1 | CA1 | N1 | 110.0° | 109.5° |
| CA1 | CB1 | HB11 | 110.5° | 109.4° |
| CA1 | CB1 | HB12 | 110.5° | 109.5° |
| CB1 | CA1 | HA1 | 105.4° | 109.5° |
| CB1 | SG1 | HG1 | 102.0° | 103.0° |
| SG1 | CB1 | HB11 | 110.5° | 109.5° |
| SG1 | CB1 | HB12 | 110.5° | 109.5° |
| OA | NA | CE1 | 115.9° | 120.1° |
| OA | NA | OB | 120.4° | 120.0° |
| CD2 | CE2 | CZ | 121.2° | 120.3° |
| CE2 | CD2 | HD2 | 119.7° | 120.0° |
| CD2 | CE2 | HE1 | 119.4° | 119.9° |
| CE1 | NA | OB | 123.5° | 120.0° |
| NA | CE1 | CZ | 121.2° | 120.0° |
| CA1 | N1 | H | 109.5° | 111.0° |
| CA1 | N1 | H2 | 109.5° | 111.0° |
| N1 | CA1 | HA1 | 103.0° | 109.5° |
| CE1 | CZ | CE2 | 120.4° | 120.3° |
| CE1 | CZ | OH | 120.6° | 119.9° |
| CE2 | CZ | OH | 119.0° | 119.9° |
| CZ | CE2 | HE1 | 119.4° | 119.9° |
| CZ | OH | H1 | 109.5° | 114.0° |
| H | N1 | H2 | 109.5° | 111.0° |
| HB11 | CB1 | HB12 | 109.5° | 109.5° |
| HA31 | CA3 | HA32 | 109.4° | 109.4° |
| C3 | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | CA3 | OXT | 130.0° | 179.9° |
| O3 | C3 | CA3 | N3 | 149.1° | 0.0° |
| O3 | C3 | CA3 | HA31 | 89.7° | 120.0° |
| O3 | C3 | CA3 | HA32 | 28.0° | 120.0° |
| O3 | C3 | OXT | HXT | 0.0° | 0.0° |
| C3 | CA3 | N3 | C2 | 25.9° | 87.7° |
| C3 | CA3 | N3 | HA31 | 121.2° | 120.0° |
| C3 | CA3 | N3 | HA32 | 121.2° | 120.0° |
| C3 | CA3 | N3 | C1 | 156.1° | 92.3° |
| C3 | CA3 | HA31 | HA32 | 116.3° | 120.0° |
| CA3 | C3 | OXT | HXT | 122.5° | 180.0° |
| O2 | C2 | N3 | CA2 | 178.6° | 179.8° |
| O2 | C2 | N3 | CA3 | 2.3° | 0.0° |
| O2 | C2 | N3 | C1 | 179.4° | 180.0° |
| O2 | C2 | CA2 | CB2 | 1.1° | 0.2° |
| O2 | C2 | CA2 | N2 | 179.4° | 179.9° |
| C2 | N3 | CA3 | C1 | 178.0° | 180.0° |
| N3 | C2 | CA2 | CB2 | 179.6° | 179.9° |
| N3 | C2 | CA2 | N2 | 0.9° | 0.3° |
| C2 | N3 | C1 | N2 | 0.4° | 0.0° |
| C2 | N3 | C1 | CA1 | 177.7° | 179.7° |
| C2 | N3 | CA3 | HA31 | 147.1° | 32.4° |
| C2 | N3 | CA3 | HA32 | 95.2° | 152.3° |
| CA2 | C2 | N3 | CA3 | 179.0° | 179.8° |
| CA2 | C2 | N3 | C1 | 0.8° | 0.2° |
| C2 | CA2 | CB2 | N2 | 179.4° | 179.7° |
| C2 | CA2 | CB2 | CG2 | 175.6° | 173.9° |
| C2 | CA2 | N2 | C1 | 0.7° | 0.4° |
| C2 | CA2 | CB2 | HB2 | 4.4° | 6.2° |
| CA3 | N3 | C1 | N2 | 178.6° | 180.0° |
| CA3 | N3 | C1 | CA1 | 0.5° | 0.3° |
| N3 | CA3 | HA31 | HA32 | 116.4° | 120.0° |
| N3 | CA3 | C3 | OXT | 80.9° | 180.0° |
| N3 | C1 | N2 | CA2 | 0.2° | 0.3° |
| N3 | C1 | N2 | CA1 | 178.2° | 179.7° |
| N3 | C1 | CA1 | CB1 | 106.6° | 92.7° |
| N3 | C1 | CA1 | N1 | 24.0° | 147.3° |
| N3 | C1 | CA1 | HA1 | 137.5° | 27.3° |
| C1 | N3 | CA3 | HA31 | 34.9° | 147.7° |
| C1 | N3 | CA3 | HA32 | 82.7° | 27.7° |
| CA2 | CB2 | CG2 | HB2 | 180.0° | 179.9° |
| CB2 | CA2 | N2 | C1 | 179.8° | 179.9° |
| CA2 | CB2 | CG2 | CD1 | 174.4° | 173.5° |
| CA2 | CB2 | CG2 | CD2 | 5.8° | 6.7° |
| CG2 | CB2 | CA2 | N2 | 4.9° | 6.5° |
| CB2 | CG2 | CD1 | CD2 | 179.8° | 179.7° |
| CB2 | CG2 | CD1 | CE1 | 179.7° | 180.0° |
| CB2 | CG2 | CD2 | CE2 | 179.4° | 180.0° |
| CB2 | CG2 | CD1 | HD1 | 0.3° | 0.0° |
| CB2 | CG2 | CD2 | HD2 | 0.6° | 0.0° |
| CA2 | N2 | C1 | CA1 | 178.5° | 180.0° |
| N2 | CA2 | CB2 | HB2 | 175.0° | 173.5° |
| N2 | C1 | CA1 | CB1 | 75.5° | 87.0° |
| N2 | C1 | CA1 | N1 | 153.9° | 33.0° |
| N2 | C1 | CA1 | HA1 | 40.4° | 153.0° |
| C1 | CA1 | CB1 | N1 | 133.4° | 120.0° |
| C1 | CA1 | CB1 | HA1 | 116.1° | 120.0° |
| C1 | CA1 | CB1 | SG1 | 170.5° | 175.0° |
| C1 | CA1 | N1 | HA1 | 115.0° | 119.9° |
| C1 | CA1 | N1 | H | 180.0° | 177.3° |
| C1 | CA1 | N1 | H2 | 60.0° | 53.4° |
| C1 | CA1 | CB1 | HB11 | 70.1° | 65.0° |
| C1 | CA1 | CB1 | HB12 | 51.2° | 55.0° |
| CG2 | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG2 | CD2 | CE2 | 0.3° | 0.2° |
| CG2 | CD1 | CE1 | NA | 178.3° | 180.0° |
| CG2 | CD1 | CE1 | CZ | 0.0° | 0.0° |
| CD1 | CG2 | CB2 | HB2 | 5.6° | 6.4° |
| CD1 | CG2 | CD2 | HD2 | 179.6° | 179.7° |
| CD2 | CG2 | CD1 | CE1 | 0.1° | 0.2° |
| CG2 | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CG2 | CD2 | CE2 | CZ | 0.5° | 0.1° |
| CD2 | CG2 | CB2 | HB2 | 174.2° | 173.3° |
| CD2 | CG2 | CD1 | HD1 | 179.9° | 179.8° |
| CG2 | CD2 | CE2 | HE1 | 179.5° | 180.0° |
| CD1 | CE1 | NA | OA | 25.6° | 180.0° |
| CD1 | CE1 | NA | CZ | 178.2° | 179.9° |
| CD1 | CE1 | NA | OB | 150.7° | 0.0° |
| CD1 | CE1 | CZ | CE2 | 0.1° | 0.3° |
| CD1 | CE1 | CZ | OH | 180.0° | 179.9° |
| CA1 | CB1 | SG1 | HB11 | 119.4° | 119.9° |
| CA1 | CB1 | SG1 | HB12 | 119.3° | 120.0° |
| CB1 | CA1 | N1 | HA1 | 112.0° | 120.1° |
| CB1 | CA1 | N1 | H | 47.0° | 57.4° |
| CB1 | CA1 | N1 | H2 | 73.0° | 66.6° |
| CA1 | CB1 | SG1 | HG1 | 180.0° | 180.0° |
| CA1 | CB1 | HB11 | HB12 | 121.9° | 120.1° |
| SG1 | CB1 | CA1 | N1 | 37.1° | 65.0° |
| SG1 | CB1 | HB11 | HB12 | 121.9° | 120.0° |
| SG1 | CB1 | CA1 | HA1 | 73.3° | 55.1° |
| OA | NA | CE1 | OB | 176.3° | 180.0° |
| OA | NA | CE1 | CZ | 156.2° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 0.4° | 0.4° |
| CD2 | CE2 | CZ | HE1 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | OH | 179.7° | 179.9° |
| NA | CE1 | CZ | CE2 | 178.1° | 179.7° |
| NA | CE1 | CZ | OH | 1.8° | 0.0° |
| NA | CE1 | CD1 | HD1 | 1.7° | 0.0° |
| OB | NA | CE1 | CZ | 27.5° | 180.0° |
| CA1 | N1 | H | H2 | 120.0° | 124.0° |
| N1 | CA1 | CB1 | HB11 | 156.5° | 54.9° |
| N1 | CA1 | CB1 | HB12 | 82.2° | 175.0° |
| CE1 | CZ | CE2 | OH | 179.9° | 179.7° |
| CZ | CE1 | CD1 | HD1 | 180.0° | 179.9° |
| CE1 | CZ | CE2 | HE1 | 179.6° | 179.7° |
| CE1 | CZ | OH | H1 | 11.7° | 90.0° |
| CZ | CE2 | CD2 | HD2 | 179.5° | 180.0° |
| CE2 | CZ | OH | H1 | 168.2° | 89.7° |
| OH | CZ | CE2 | HE1 | 0.3° | 0.0° |
| H | N1 | CA1 | HA1 | 65.0° | 62.7° |
| H2 | N1 | CA1 | HA1 | 175.0° | 173.3° |
| HG1 | SG1 | CB1 | HB11 | 60.6° | 60.1° |
| HG1 | SG1 | CB1 | HB12 | 60.7° | 60.0° |
| HB11 | CB1 | CA1 | HA1 | 46.0° | 175.0° |
| HB12 | CB1 | CA1 | HA1 | 167.3° | 64.9° |
| HA31 | CA3 | C3 | OXT | 40.3° | 59.9° |
| HA32 | CA3 | C3 | OXT | 157.9° | 60.0° |
| HD2 | CD2 | CE2 | HE1 | 0.5° | 0.1° |
