4QK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.55Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CG | CD | sing | 1.53Å | 1.53Å | |
| CD | CE | sing | 1.53Å | 1.53Å | |
| CE | NT1 | sing | 1.47Å | 1.53Å | |
| NT2 | NT1 | sing | 1.29Å | 1.33Å | Aromatic |
| NT2 | NT3 | doub | 1.29Å | 1.33Å | Aromatic |
| NT1 | CT2 | sing | 1.35Å | 1.33Å | Aromatic |
| NT3 | CT1 | sing | 1.34Å | 1.33Å | Aromatic |
| CT2 | CT1 | doub | 1.35Å | 1.33Å | Aromatic |
| CT1 | CY | sing | 1.51Å | 1.53Å | |
| NZ2 | CZ | sing | 1.47Å | 1.48Å | |
| CY | CZ | sing | 1.53Å | 1.54Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HC36 | sing | 1.09Å | 1.10Å | |
| CB | HC35 | sing | 1.09Å | 1.10Å | |
| CG | HC38 | sing | 1.09Å | 1.10Å | |
| CG | HC37 | sing | 1.09Å | 1.10Å | |
| CD | HC40 | sing | 1.09Å | 1.10Å | |
| CD | HC39 | sing | 1.09Å | 1.10Å | |
| CE | HC42 | sing | 1.09Å | 1.10Å | |
| CE | HC41 | sing | 1.09Å | 1.10Å | |
| CZ | HC44 | sing | 1.09Å | 1.10Å | |
| CZ | HC43 | sing | 1.09Å | 1.10Å | |
| CY | HC46 | sing | 1.09Å | 1.10Å | |
| CY | HC45 | sing | 1.09Å | 1.10Å | |
| CT2 | HC47 | sing | 1.08Å | 1.08Å | |
| NZ2 | HZ2 | sing | 1.01Å | 1.00Å | |
| NZ2 | H4 | sing | 1.01Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 60.90Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 119.3° | 120.0° |
| O | C | OXT | 106.4° | 120.0° |
| C | CA | N | 109.9° | 109.5° |
| C | CA | CB | 110.8° | 109.5° |
| C | CA | HA | 108.3° | 109.5° |
| CA | C | OXT | 127.5° | 120.0° |
| N | CA | CB | 110.1° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.1° |
| N | CA | HA | 109.2° | 109.4° |
| CA | CB | CG | 111.8° | 109.5° |
| CB | CA | HA | 108.5° | 109.5° |
| CA | CB | HC36 | 108.9° | 109.5° |
| CA | CB | HC35 | 108.9° | 109.5° |
| CB | CG | CD | 109.5° | 109.5° |
| CG | CB | HC36 | 108.9° | 109.5° |
| CG | CB | HC35 | 108.9° | 109.5° |
| CB | CG | HC38 | 109.4° | 109.5° |
| CB | CG | HC37 | 109.5° | 109.5° |
| CG | CD | CE | 112.3° | 109.5° |
| CD | CG | HC38 | 109.5° | 109.5° |
| CD | CG | HC37 | 109.4° | 109.4° |
| CG | CD | HC40 | 108.8° | 109.5° |
| CG | CD | HC39 | 108.8° | 109.4° |
| CD | CE | NT1 | 114.4° | 109.5° |
| CE | CD | HC40 | 108.8° | 109.5° |
| CE | CD | HC39 | 108.8° | 109.5° |
| CD | CE | HC42 | 108.2° | 109.4° |
| CD | CE | HC41 | 108.2° | 109.4° |
| CE | NT1 | NT2 | 127.3° | 125.9° |
| CE | NT1 | CT2 | 124.6° | 125.8° |
| NT1 | CE | HC42 | 108.3° | 109.5° |
| NT1 | CE | HC41 | 108.2° | 109.5° |
| NT1 | NT2 | NT3 | 107.7° | 110.2° |
| NT2 | NT1 | CT2 | 108.1° | 108.3° |
| NT2 | NT3 | CT1 | 108.2° | 108.9° |
| NT1 | CT2 | CT1 | 108.2° | 106.1° |
| NT1 | CT2 | HC47 | 125.9° | 127.0° |
| NT3 | CT1 | CT2 | 107.8° | 106.5° |
| NT3 | CT1 | CY | 125.4° | 126.7° |
| CT2 | CT1 | CY | 126.7° | 126.7° |
| CT1 | CT2 | HC47 | 125.9° | 126.9° |
| CT1 | CY | CZ | 114.5° | 109.5° |
| CT1 | CY | HC46 | 108.2° | 109.5° |
| CT1 | CY | HC45 | 108.2° | 109.5° |
| NZ2 | CZ | CY | 114.0° | 109.5° |
| NZ2 | CZ | HC44 | 108.3° | 109.5° |
| NZ2 | CZ | HC43 | 108.3° | 109.5° |
| CZ | NZ2 | HZ2 | 109.5° | 111.1° |
| CZ | NZ2 | H4 | 109.5° | 111.0° |
| CY | CZ | HC44 | 108.3° | 109.4° |
| CY | CZ | HC43 | 108.3° | 109.5° |
| CZ | CY | HC46 | 108.2° | 109.5° |
| CZ | CY | HC45 | 108.2° | 109.4° |
| H | N | H2 | 109.5° | 111.0° |
| HC36 | CB | HC35 | 109.5° | 109.5° |
| HC38 | CG | HC37 | 109.5° | 109.5° |
| HC40 | CD | HC39 | 109.5° | 109.5° |
| HC42 | CE | HC41 | 109.4° | 109.5° |
| HC44 | CZ | HC43 | 109.5° | 109.5° |
| HC46 | CY | HC45 | 109.5° | 109.5° |
| HZ2 | NZ2 | H4 | 109.4° | 111.0° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 147.1° | 180.0° |
| O | C | CA | N | 66.3° | 20.0° |
| O | C | CA | CB | 55.6° | 100.1° |
| O | C | CA | HA | 174.5° | 139.9° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| C | CA | N | CB | 122.3° | 120.0° |
| C | CA | N | HA | 118.7° | 120.0° |
| C | CA | CB | HA | 118.8° | 120.0° |
| C | CA | CB | CG | 77.0° | 175.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.0° |
| C | CA | CB | HC36 | 162.7° | 65.0° |
| C | CA | CB | HC35 | 43.3° | 55.0° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| N | CA | CB | HA | 119.4° | 120.0° |
| N | CA | CB | CG | 161.2° | 65.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HC36 | 40.9° | 55.0° |
| N | CA | CB | HC35 | 78.4° | 175.0° |
| N | CA | C | OXT | 146.7° | 160.0° |
| CA | CB | CG | HC36 | 120.3° | 120.0° |
| CA | CB | CG | HC35 | 120.3° | 120.0° |
| CA | CB | CG | CD | 178.4° | 180.0° |
| CB | CA | N | H | 57.7° | 60.0° |
| CB | CA | N | H2 | 177.7° | 63.9° |
| CA | CB | HC36 | HC35 | 119.0° | 120.0° |
| CA | CB | CG | HC38 | 61.5° | 60.0° |
| CA | CB | CG | HC37 | 58.5° | 60.0° |
| CB | CA | C | OXT | 91.5° | 80.0° |
| CB | CG | CD | HC38 | 120.0° | 120.0° |
| CB | CG | CD | HC37 | 120.0° | 120.0° |
| CB | CG | CD | CE | 173.2° | 180.0° |
| CG | CB | CA | HA | 41.8° | 55.0° |
| CG | CB | HC36 | HC35 | 118.9° | 120.0° |
| CB | CG | HC38 | HC37 | 120.0° | 120.0° |
| CB | CG | CD | HC40 | 66.3° | 60.0° |
| CB | CG | CD | HC39 | 52.8° | 60.0° |
| CG | CD | CE | HC40 | 120.4° | 120.0° |
| CG | CD | CE | HC39 | 120.4° | 120.0° |
| CG | CD | CE | NT1 | 89.8° | 180.0° |
| CD | CG | CB | HC36 | 58.1° | 60.0° |
| CD | CG | CB | HC35 | 61.2° | 60.0° |
| CD | CG | HC38 | HC37 | 120.0° | 120.0° |
| CG | CD | HC40 | HC39 | 118.7° | 120.0° |
| CG | CD | CE | HC42 | 149.4° | 59.9° |
| CG | CD | CE | HC41 | 30.9° | 60.0° |
| CD | CE | NT1 | HC42 | 120.7° | 120.0° |
| CD | CE | NT1 | HC41 | 120.7° | 119.9° |
| CD | CE | NT1 | NT2 | 63.1° | 55.0° |
| CD | CE | NT1 | CT2 | 115.4° | 125.0° |
| CE | CD | CG | HC38 | 53.2° | 60.0° |
| CE | CD | CG | HC37 | 66.8° | 60.0° |
| CE | CD | HC40 | HC39 | 118.7° | 120.0° |
| CD | CE | HC42 | HC41 | 117.7° | 119.9° |
| CE | NT1 | NT2 | CT2 | 178.7° | 180.0° |
| CE | NT1 | NT2 | NT3 | 178.4° | 179.7° |
| CE | NT1 | CT2 | CT1 | 178.5° | 180.0° |
| NT1 | CE | CD | HC40 | 30.6° | 60.0° |
| NT1 | CE | CD | HC39 | 149.7° | 60.0° |
| NT1 | CE | HC42 | HC41 | 117.8° | 120.1° |
| CE | NT1 | CT2 | HC47 | 1.6° | 0.1° |
| NT1 | NT2 | NT3 | CT1 | 0.2° | 0.4° |
| NT2 | NT1 | CT2 | CT1 | 0.3° | 0.0° |
| NT2 | NT1 | CE | HC42 | 176.2° | 175.0° |
| NT2 | NT1 | CE | HC41 | 57.6° | 64.9° |
| NT2 | NT1 | CT2 | HC47 | 179.7° | 179.9° |
| NT3 | NT2 | NT1 | CT2 | 0.3° | 0.3° |
| NT2 | NT3 | CT1 | CT2 | 0.0° | 0.4° |
| NT2 | NT3 | CT1 | CY | 175.1° | 179.8° |
| NT1 | CT2 | CT1 | NT3 | 0.2° | 0.3° |
| NT1 | CT2 | CT1 | HC47 | 180.0° | 179.9° |
| NT1 | CT2 | CT1 | CY | 174.9° | 180.0° |
| CT2 | NT1 | CE | HC42 | 5.3° | 5.0° |
| CT2 | NT1 | CE | HC41 | 123.8° | 115.1° |
| NT3 | CT1 | CT2 | CY | 175.1° | 179.7° |
| NT3 | CT1 | CY | CZ | 134.4° | 55.3° |
| NT3 | CT1 | CY | HC46 | 13.6° | 175.3° |
| NT3 | CT1 | CY | HC45 | 104.9° | 64.7° |
| NT3 | CT1 | CT2 | HC47 | 179.8° | 179.8° |
| CT2 | CT1 | CY | CZ | 51.4° | 125.0° |
| CT2 | CT1 | CY | HC46 | 172.1° | 5.0° |
| CT2 | CT1 | CY | HC45 | 69.3° | 115.0° |
| CT1 | CY | CZ | NZ2 | 58.7° | 180.0° |
| CT1 | CY | CZ | HC46 | 120.7° | 120.0° |
| CT1 | CY | CZ | HC45 | 120.8° | 120.0° |
| CT1 | CY | CZ | HC44 | 62.0° | 60.0° |
| CT1 | CY | CZ | HC43 | 179.3° | 60.0° |
| CT1 | CY | HC46 | HC45 | 117.7° | 120.0° |
| CY | CT1 | CT2 | HC47 | 5.1° | 0.1° |
| NZ2 | CZ | CY | HC44 | 120.6° | 120.0° |
| NZ2 | CZ | CY | HC43 | 120.7° | 120.1° |
| NZ2 | CZ | HC44 | HC43 | 118.0° | 120.0° |
| NZ2 | CZ | CY | HC46 | 62.1° | 59.9° |
| NZ2 | CZ | CY | HC45 | 179.4° | 60.0° |
| CZ | NZ2 | HZ2 | H4 | 120.0° | 124.0° |
| CY | CZ | HC44 | HC43 | 117.9° | 120.0° |
| CZ | CY | HC46 | HC45 | 117.7° | 120.0° |
| CY | CZ | NZ2 | HZ2 | 180.0° | 56.0° |
| CY | CZ | NZ2 | H4 | 60.0° | 180.0° |
| H | N | CA | HA | 61.3° | 180.0° |
| H2 | N | CA | HA | 58.7° | 56.0° |
| HA | CA | CB | HC36 | 78.5° | 175.0° |
| HA | CA | CB | HC35 | 162.2° | 65.0° |
| HA | CA | C | OXT | 27.5° | 40.0° |
| HC36 | CB | CG | HC38 | 178.1° | 180.0° |
| HC36 | CB | CG | HC37 | 61.9° | 60.0° |
| HC35 | CB | CG | HC38 | 58.8° | 60.0° |
| HC35 | CB | CG | HC37 | 178.8° | 180.0° |
| HC38 | CG | CD | HC40 | 173.7° | 180.0° |
| HC38 | CG | CD | HC39 | 67.2° | 60.0° |
| HC37 | CG | CD | HC40 | 53.7° | 60.0° |
| HC37 | CG | CD | HC39 | 172.8° | 180.0° |
| HC40 | CD | CE | HC42 | 90.2° | 180.0° |
| HC40 | CD | CE | HC41 | 151.3° | 60.0° |
| HC39 | CD | CE | HC42 | 29.0° | 60.0° |
| HC39 | CD | CE | HC41 | 89.5° | 180.0° |
| HC44 | CZ | CY | HC46 | 177.3° | 60.0° |
| HC44 | CZ | CY | HC45 | 58.8° | 180.0° |
| HC44 | CZ | NZ2 | HZ2 | 59.3° | 63.9° |
| HC44 | CZ | NZ2 | H4 | 60.6° | 60.1° |
| HC43 | CZ | CY | HC46 | 58.6° | 180.0° |
| HC43 | CZ | CY | HC45 | 59.9° | 60.0° |
| HC43 | CZ | NZ2 | HZ2 | 59.3° | 176.1° |
| HC43 | CZ | NZ2 | H4 | 179.3° | 59.9° |
