KZY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| SG1 | CB1 | sing | 1.81Å | 1.76Å | |
| CB1 | CA1 | sing | 1.53Å | 1.47Å | |
| CA1 | C1 | sing | 1.51Å | 1.46Å | |
| C1 | N2 | doub | 1.30Å | 1.25Å | |
| C1 | N3 | sing | 1.37Å | 1.35Å | |
| N2 | CA2 | sing | 1.37Å | 1.32Å | |
| N3 | C2 | sing | 1.35Å | 1.28Å | |
| N3 | CA3 | sing | 1.47Å | 1.44Å | |
| C2 | O2 | doub | 1.22Å | 1.16Å | |
| C2 | CA2 | sing | 1.47Å | 1.39Å | |
| CA2 | CB2 | doub | 1.38Å | 1.33Å | |
| CA3 | C3 | sing | 1.51Å | 1.68Å | |
| CB2 | CG2 | sing | 1.46Å | 1.39Å | |
| CG2 | CD1 | doub | 1.40Å | 1.35Å | Aromatic |
| CG2 | CD2 | sing | 1.40Å | 1.35Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.32Å | Aromatic |
| CD2 | CE2 | doub | 1.37Å | 1.35Å | Aromatic |
| CE1 | CZ | doub | 1.39Å | 1.31Å | Aromatic |
| CE1 | CF | sing | 1.51Å | 1.47Å | |
| CE2 | CZ | sing | 1.39Å | 1.33Å | Aromatic |
| CZ | OH | sing | 1.36Å | 1.28Å | |
| C3 | O3 | doub | 1.21Å | 1.20Å | |
| CA1 | N1 | sing | 1.47Å | 1.68Å | |
| 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 | HE2 | sing | 1.08Å | 1.08Å | |
| OH | H1 | sing | 0.97Å | 0.95Å | |
| C3 | OXT | sing | 1.34Å | 1.07Å | |
| CF | H5 | sing | 1.09Å | 1.10Å | |
| CF | H3 | sing | 1.09Å | 1.10Å | |
| CF | H4 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| SG1 | CB1 | CA1 | 106.7° | 109.4° |
| CB1 | SG1 | HG1 | 102.0° | 103.0° |
| SG1 | CB1 | HB11 | 110.1° | 109.5° |
| SG1 | CB1 | HB12 | 110.2° | 109.5° |
| CB1 | CA1 | C1 | 124.0° | 109.5° |
| CB1 | CA1 | N1 | 107.2° | 109.5° |
| CA1 | CB1 | HB11 | 110.2° | 109.5° |
| CA1 | CB1 | HB12 | 110.2° | 109.4° |
| CB1 | CA1 | HA1 | 106.0° | 109.5° |
| CA1 | C1 | N2 | 119.2° | 124.3° |
| CA1 | C1 | N3 | 130.1° | 124.3° |
| C1 | CA1 | N1 | 107.9° | 109.5° |
| C1 | CA1 | HA1 | 106.1° | 109.4° |
| N2 | C1 | N3 | 110.6° | 111.4° |
| C1 | N2 | CA2 | 108.5° | 109.3° |
| C1 | N3 | C2 | 107.6° | 108.4° |
| C1 | N3 | CA3 | 137.6° | 125.8° |
| N2 | CA2 | C2 | 106.5° | 105.8° |
| N2 | CA2 | CB2 | 132.9° | 127.1° |
| C2 | N3 | CA3 | 114.6° | 125.8° |
| N3 | C2 | O2 | 128.6° | 127.4° |
| N3 | C2 | CA2 | 106.7° | 105.2° |
| N3 | CA3 | C3 | 106.5° | 109.5° |
| N3 | CA3 | HA31 | 110.2° | 109.4° |
| N3 | CA3 | HA32 | 110.2° | 109.5° |
| O2 | C2 | CA2 | 124.7° | 127.4° |
| C2 | CA2 | CB2 | 120.6° | 127.1° |
| CA2 | CB2 | CG2 | 119.5° | 120.0° |
| CA2 | CB2 | HB2 | 120.3° | 120.0° |
| CA3 | C3 | O3 | 96.8° | 119.9° |
| C3 | CA3 | HA31 | 110.2° | 109.5° |
| C3 | CA3 | HA32 | 110.2° | 109.5° |
| CA3 | C3 | OXT | 112.7° | 120.1° |
| CB2 | CG2 | CD1 | 117.9° | 120.1° |
| CB2 | CG2 | CD2 | 120.9° | 120.2° |
| CG2 | CB2 | HB2 | 120.3° | 119.9° |
| CD1 | CG2 | CD2 | 121.2° | 119.7° |
| CG2 | CD1 | CE1 | 119.5° | 119.7° |
| CG2 | CD1 | HD1 | 120.2° | 120.2° |
| CG2 | CD2 | CE2 | 117.8° | 120.0° |
| CG2 | CD2 | HD2 | 121.1° | 120.0° |
| CD1 | CE1 | CZ | 119.8° | 120.0° |
| CD1 | CE1 | CF | 118.9° | 120.0° |
| CE1 | CD1 | HD1 | 120.2° | 120.1° |
| CD2 | CE2 | CZ | 119.3° | 120.3° |
| CE2 | CD2 | HD2 | 121.1° | 120.0° |
| CD2 | CE2 | HE2 | 120.3° | 119.8° |
| CZ | CE1 | CF | 121.3° | 120.0° |
| CE1 | CZ | CE2 | 122.3° | 120.3° |
| CE1 | CZ | OH | 118.5° | 119.8° |
| CE1 | CF | H5 | 109.5° | 109.5° |
| CE1 | CF | H3 | 109.5° | 109.4° |
| CE1 | CF | H4 | 109.5° | 109.5° |
| CE2 | CZ | OH | 119.1° | 119.9° |
| CZ | CE2 | HE2 | 120.4° | 119.9° |
| CZ | OH | H1 | 109.5° | 114.0° |
| O3 | C3 | OXT | 112.7° | 120.0° |
| CA1 | N1 | H | 109.5° | 111.0° |
| CA1 | N1 | H2 | 109.5° | 110.9° |
| N1 | CA1 | HA1 | 104.0° | 109.5° |
| H | N1 | H2 | 109.5° | 111.0° |
| HB11 | CB1 | HB12 | 109.5° | 109.5° |
| HA31 | CA3 | HA32 | 109.4° | 109.5° |
| C3 | OXT | HXT | 109.5° | 117.1° |
| H5 | CF | H3 | 109.4° | 109.5° |
| H5 | CF | H4 | 109.5° | 109.5° |
| H3 | CF | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SG1 | CB1 | CA1 | HB11 | 119.5° | 120.0° |
| SG1 | CB1 | CA1 | HB12 | 119.5° | 120.0° |
| SG1 | CB1 | CA1 | C1 | 171.9° | 180.0° |
| SG1 | CB1 | CA1 | N1 | 45.2° | 60.0° |
| SG1 | CB1 | HB11 | HB12 | 121.3° | 120.0° |
| SG1 | CB1 | CA1 | HA1 | 65.4° | 60.0° |
| CB1 | CA1 | C1 | N1 | 126.4° | 120.0° |
| CB1 | CA1 | C1 | HA1 | 122.7° | 120.0° |
| CB1 | CA1 | C1 | N2 | 18.5° | 85.0° |
| CB1 | CA1 | C1 | N3 | 165.3° | 95.2° |
| CB1 | CA1 | N1 | HA1 | 112.0° | 120.0° |
| CB1 | CA1 | N1 | H | 180.0° | 60.0° |
| CB1 | CA1 | N1 | H2 | 60.0° | 64.0° |
| CA1 | CB1 | SG1 | HG1 | 180.0° | 180.0° |
| CA1 | CB1 | HB11 | HB12 | 121.3° | 120.0° |
| CA1 | C1 | N2 | N3 | 176.9° | 179.8° |
| CA1 | C1 | N2 | CA2 | 179.3° | 180.0° |
| CA1 | C1 | N3 | C2 | 178.2° | 180.0° |
| CA1 | C1 | N3 | CA3 | 7.4° | 0.0° |
| C1 | CA1 | N1 | HA1 | 112.4° | 120.0° |
| C1 | CA1 | N1 | H | 44.4° | 60.0° |
| C1 | CA1 | N1 | H2 | 75.7° | 176.0° |
| C1 | CA1 | CB1 | HB11 | 68.6° | 60.0° |
| C1 | CA1 | CB1 | HB12 | 52.3° | 60.0° |
| N2 | C1 | N3 | C2 | 1.7° | 0.2° |
| N2 | C1 | N3 | CA3 | 176.2° | 179.7° |
| C1 | N2 | CA2 | C2 | 2.2° | 0.1° |
| C1 | N2 | CA2 | CB2 | 179.5° | 180.0° |
| N2 | C1 | CA1 | N1 | 144.9° | 35.0° |
| N2 | C1 | CA1 | HA1 | 104.2° | 155.0° |
| N3 | C1 | N2 | CA2 | 2.5° | 0.2° |
| C1 | N3 | C2 | CA3 | 175.9° | 180.0° |
| C1 | N3 | C2 | O2 | 179.6° | 180.0° |
| C1 | N3 | C2 | CA2 | 0.3° | 0.1° |
| C1 | N3 | CA3 | C3 | 90.9° | 90.0° |
| N3 | C1 | CA1 | N1 | 38.9° | 144.8° |
| N3 | C1 | CA1 | HA1 | 72.0° | 24.7° |
| C1 | N3 | CA3 | HA31 | 149.6° | 150.0° |
| C1 | N3 | CA3 | HA32 | 28.7° | 30.0° |
| N2 | CA2 | C2 | N3 | 1.1° | 0.0° |
| N2 | CA2 | C2 | O2 | 179.0° | 179.9° |
| N2 | CA2 | C2 | CB2 | 177.7° | 179.8° |
| N2 | CA2 | CB2 | CG2 | 17.7° | 5.2° |
| N2 | CA2 | CB2 | HB2 | 162.3° | 174.8° |
| N3 | C2 | O2 | CA2 | 179.9° | 179.9° |
| N3 | C2 | CA2 | CB2 | 178.8° | 179.9° |
| C2 | N3 | CA3 | C3 | 94.9° | 90.0° |
| C2 | N3 | CA3 | HA31 | 24.6° | 30.0° |
| C2 | N3 | CA3 | HA32 | 145.5° | 150.0° |
| CA3 | N3 | C2 | O2 | 3.7° | 0.0° |
| CA3 | N3 | C2 | CA2 | 176.2° | 179.8° |
| N3 | CA3 | C3 | HA31 | 119.5° | 120.0° |
| N3 | CA3 | C3 | HA32 | 119.6° | 120.0° |
| N3 | CA3 | C3 | O3 | 135.1° | 0.1° |
| N3 | CA3 | HA31 | HA32 | 121.3° | 120.0° |
| N3 | CA3 | C3 | OXT | 17.1° | 180.0° |
| O2 | C2 | CA2 | CB2 | 1.3° | 0.0° |
| C2 | CA2 | CB2 | CG2 | 165.3° | 175.0° |
| C2 | CA2 | CB2 | HB2 | 14.7° | 5.0° |
| CA2 | CB2 | CG2 | HB2 | 180.0° | 180.0° |
| CA2 | CB2 | CG2 | CD1 | 157.2° | 6.0° |
| CA2 | CB2 | CG2 | CD2 | 22.7° | 174.3° |
| CA3 | C3 | O3 | OXT | 118.0° | 179.9° |
| C3 | CA3 | HA31 | HA32 | 121.4° | 120.0° |
| CA3 | C3 | OXT | HXT | 108.2° | 180.0° |
| CB2 | CG2 | CD1 | CD2 | 179.9° | 179.7° |
| CB2 | CG2 | CD1 | CE1 | 179.4° | 180.0° |
| CB2 | CG2 | CD2 | CE2 | 178.8° | 180.0° |
| CB2 | CG2 | CD1 | HD1 | 0.6° | 0.0° |
| CB2 | CG2 | CD2 | HD2 | 1.2° | 0.1° |
| CG2 | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG2 | CD2 | CE2 | 1.3° | 0.2° |
| CG2 | CD1 | CE1 | CZ | 0.2° | 0.0° |
| CG2 | CD1 | CE1 | CF | 179.3° | 180.0° |
| CD1 | CG2 | CB2 | HB2 | 22.8° | 174.0° |
| CD1 | CG2 | CD2 | HD2 | 178.7° | 179.7° |
| CD2 | CG2 | CD1 | CE1 | 0.6° | 0.2° |
| CG2 | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CG2 | CD2 | CE2 | CZ | 1.6° | 0.1° |
| CD2 | CG2 | CB2 | HB2 | 157.3° | 5.8° |
| CD2 | CG2 | CD1 | HD1 | 179.4° | 179.8° |
| CG2 | CD2 | CE2 | HE2 | 178.4° | 180.0° |
| CD1 | CE1 | CZ | CF | 179.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.6° | 0.3° |
| CD1 | CE1 | CZ | OH | 179.5° | 180.0° |
| CD1 | CE1 | CF | H5 | 90.5° | 90.0° |
| CD1 | CE1 | CF | H3 | 149.6° | 150.0° |
| CD1 | CE1 | CF | H4 | 29.5° | 30.0° |
| CD2 | CE2 | CZ | CE1 | 1.3° | 0.3° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | OH | 179.8° | 180.0° |
| CE1 | CZ | CE2 | OH | 178.9° | 179.7° |
| CZ | CE1 | CD1 | HD1 | 179.8° | 179.9° |
| CE1 | CZ | CE2 | HE2 | 178.7° | 179.7° |
| CE1 | CZ | OH | H1 | 180.0° | 90.0° |
| CZ | CE1 | CF | H5 | 90.5° | 90.0° |
| CZ | CE1 | CF | H3 | 29.5° | 30.0° |
| CZ | CE1 | CF | H4 | 149.5° | 150.0° |
| CF | CE1 | CZ | CE2 | 179.7° | 179.7° |
| CF | CE1 | CZ | OH | 1.5° | 0.0° |
| CF | CE1 | CD1 | HD1 | 0.7° | 0.0° |
| CE1 | CF | H5 | H3 | 120.0° | 120.0° |
| CE1 | CF | H5 | H4 | 120.0° | 120.0° |
| CE1 | CF | H3 | H4 | 120.0° | 120.0° |
| CZ | CE2 | CD2 | HD2 | 178.4° | 180.0° |
| CE2 | CZ | OH | H1 | 1.1° | 89.7° |
| OH | CZ | CE2 | HE2 | 0.2° | 0.0° |
| O3 | C3 | CA3 | HA31 | 15.6° | 120.0° |
| O3 | C3 | CA3 | HA32 | 105.3° | 119.9° |
| O3 | C3 | OXT | HXT | 0.0° | 0.1° |
| CA1 | N1 | H | H2 | 120.0° | 123.9° |
| N1 | CA1 | CB1 | HB11 | 164.7° | 180.0° |
| N1 | CA1 | CB1 | HB12 | 74.4° | 60.0° |
| H | N1 | CA1 | HA1 | 68.0° | 180.0° |
| H2 | N1 | CA1 | HA1 | 172.0° | 56.1° |
| HG1 | SG1 | CB1 | HB11 | 60.4° | 60.0° |
| HG1 | SG1 | CB1 | HB12 | 60.5° | 60.0° |
| HB11 | CB1 | CA1 | HA1 | 54.1° | 60.0° |
| HB12 | CB1 | CA1 | HA1 | 175.0° | 180.0° |
| HA31 | CA3 | C3 | OXT | 102.4° | 60.1° |
| HA32 | CA3 | C3 | OXT | 136.7° | 60.0° |
| HD2 | CD2 | CE2 | HE2 | 1.6° | 0.0° |
| H5 | CF | H3 | H4 | 120.0° | 120.0° |
