KGC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.50Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.52Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CD | CE | sing | 1.53Å | 1.52Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CE | NZ | sing | 1.47Å | 1.45Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| NZ | C11 | sing | 1.47Å | 1.46Å | |
| NZ | HZ | sing | 1.01Å | 1.00Å | |
| C11 | C12 | sing | 1.54Å | 1.54Å | |
| C11 | C13 | sing | 1.51Å | 1.51Å | |
| C11 | O30 | sing | 1.46Å | 1.43Å | |
| C13 | O15 | doub | 1.21Å | 1.25Å | |
| C13 | O14 | sing | 1.34Å | 1.25Å | |
| O14 | HO14 | sing | 0.97Å | 0.95Å | |
| O30 | C28 | sing | 1.35Å | 1.45Å | |
| C28 | C27 | sing | 1.52Å | 1.50Å | |
| C28 | O29 | doub | 1.21Å | 1.23Å | |
| C27 | C12 | sing | 1.54Å | 1.52Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C | O1 | doub | 1.21Å | 1.26Å | |
| C | OXT | sing | 1.34Å | 1.32Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 110.9° |
| N | CA | CB | 110.5° | 109.5° |
| N | CA | C | 107.2° | 109.4° |
| N | CA | HA | 110.7° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
| CB | CA | C | 110.7° | 109.5° |
| CB | CA | HA | 107.2° | 109.5° |
| CA | CB | CG | 113.0° | 109.5° |
| CA | CB | HB2 | 108.3° | 109.5° |
| CA | CB | HB3 | 107.5° | 109.5° |
| C | CA | HA | 110.5° | 109.5° |
| CA | C | O1 | 118.6° | 120.0° |
| CA | C | OXT | 114.8° | 120.0° |
| CG | CB | HB2 | 108.3° | 109.5° |
| CG | CB | HB3 | 107.5° | 109.5° |
| CB | CG | CD | 109.5° | 109.4° |
| CB | CG | HG2 | 109.5° | 109.5° |
| CB | CG | HG3 | 109.5° | 109.5° |
| HB2 | CB | HB3 | 112.2° | 109.5° |
| CD | CG | HG2 | 109.5° | 109.5° |
| CD | CG | HG3 | 109.5° | 109.5° |
| CG | CD | CE | 113.1° | 109.4° |
| CG | CD | HD2 | 108.3° | 109.5° |
| CG | CD | HD3 | 107.5° | 109.5° |
| HG2 | CG | HG3 | 109.4° | 109.5° |
| CE | CD | HD2 | 108.3° | 109.5° |
| CE | CD | HD3 | 107.4° | 109.4° |
| CD | CE | NZ | 109.1° | 109.5° |
| CD | CE | HE2 | 109.6° | 109.5° |
| CD | CE | HE3 | 109.7° | 109.4° |
| HD2 | CD | HD3 | 112.4° | 109.4° |
| NZ | CE | HE2 | 109.6° | 109.5° |
| NZ | CE | HE3 | 109.7° | 109.4° |
| CE | NZ | C11 | 122.8° | 111.0° |
| CE | NZ | HZ | 105.3° | 111.0° |
| HE2 | CE | HE3 | 109.2° | 109.4° |
| C11 | NZ | HZ | 105.2° | 111.0° |
| NZ | C11 | C12 | 110.9° | 110.1° |
| NZ | C11 | C13 | 112.0° | 110.0° |
| NZ | C11 | O30 | 110.7° | 110.1° |
| C12 | C11 | C13 | 110.4° | 110.1° |
| C12 | C11 | O30 | 105.9° | 106.3° |
| C11 | C12 | C27 | 109.1° | 103.1° |
| C11 | C12 | H121 | 109.6° | 110.7° |
| C11 | C12 | H122 | 109.6° | 110.7° |
| C13 | C11 | O30 | 106.7° | 110.1° |
| C11 | C13 | O15 | 119.5° | 119.9° |
| C11 | C13 | O14 | 117.7° | 120.0° |
| C11 | O30 | C28 | 109.7° | 109.6° |
| O15 | C13 | O14 | 122.7° | 120.1° |
| C13 | O14 | HO14 | 109.5° | 117.0° |
| O30 | C28 | C27 | 111.6° | 107.1° |
| O30 | C28 | O29 | 123.7° | 126.4° |
| C27 | C28 | O29 | 124.8° | 126.4° |
| C28 | C27 | C12 | 102.4° | 103.5° |
| C28 | C27 | H271 | 111.9° | 110.6° |
| C28 | C27 | H272 | 113.4° | 110.6° |
| C12 | C27 | H271 | 111.9° | 110.6° |
| C12 | C27 | H272 | 113.4° | 110.7° |
| C27 | C12 | H121 | 109.6° | 110.7° |
| C27 | C12 | H122 | 109.7° | 110.7° |
| H271 | C27 | H272 | 104.1° | 110.7° |
| H121 | C12 | H122 | 109.2° | 110.7° |
| O1 | C | OXT | 126.2° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | C | 118.6° | 120.0° |
| N | CA | CB | HA | 120.8° | 120.1° |
| N | CA | C | HA | 120.8° | 120.0° |
| N | CA | CB | CG | 177.5° | 65.0° |
| N | CA | CB | HB2 | 62.5° | 54.9° |
| N | CA | CB | HB3 | 59.0° | 175.0° |
| N | CA | C | O1 | 65.4° | 20.0° |
| N | CA | C | OXT | 107.7° | 160.0° |
| H | N | CA | CB | 81.2° | 59.9° |
| H | N | CA | C | 158.1° | 60.1° |
| H | N | CA | HA | 37.5° | 180.0° |
| H2 | N | CA | CB | 158.8° | 64.0° |
| H2 | N | CA | C | 38.1° | 176.0° |
| H2 | N | CA | HA | 82.5° | 56.1° |
| CB | CA | C | HA | 118.7° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 118.5° | 120.0° |
| CA | CB | HB2 | HB3 | 118.6° | 120.0° |
| CA | CB | CG | CD | 179.4° | 180.0° |
| CA | CB | CG | HG2 | 60.6° | 60.0° |
| CA | CB | CG | HG3 | 59.4° | 60.0° |
| CB | CA | C | O1 | 55.2° | 100.0° |
| CB | CA | C | OXT | 131.7° | 80.0° |
| C | CA | CB | CG | 59.0° | 175.0° |
| C | CA | CB | HB2 | 178.9° | 65.0° |
| C | CA | CB | HB3 | 59.5° | 55.0° |
| CA | C | O1 | OXT | 172.2° | 180.0° |
| CA | C | OXT | HXT | 172.5° | 180.0° |
| HA | CA | CB | CG | 61.7° | 55.0° |
| HA | CA | CB | HB2 | 58.3° | 175.0° |
| HA | CA | CB | HB3 | 179.8° | 65.0° |
| HA | CA | C | O1 | 173.9° | 140.0° |
| HA | CA | C | OXT | 13.1° | 40.0° |
| CG | CB | HB2 | HB3 | 118.6° | 120.0° |
| CB | CG | CD | HG2 | 120.0° | 120.0° |
| CB | CG | CD | HG3 | 120.0° | 120.0° |
| CB | CG | HG2 | HG3 | 120.0° | 120.0° |
| CB | CG | CD | CE | 170.9° | 180.0° |
| CB | CG | CD | HD2 | 69.1° | 60.0° |
| CB | CG | CD | HD3 | 52.5° | 60.0° |
| HB2 | CB | CG | CD | 59.4° | 60.0° |
| HB2 | CB | CG | HG2 | 179.4° | 180.0° |
| HB2 | CB | CG | HG3 | 60.6° | 60.0° |
| HB3 | CB | CG | CD | 62.1° | 60.0° |
| HB3 | CB | CG | HG2 | 57.9° | 60.0° |
| HB3 | CB | CG | HG3 | 177.9° | 180.0° |
| CD | CG | HG2 | HG3 | 120.0° | 120.0° |
| CG | CD | CE | HD2 | 120.0° | 120.1° |
| CG | CD | CE | HD3 | 118.4° | 120.0° |
| CG | CD | HD2 | HD3 | 118.5° | 120.0° |
| CG | CD | CE | NZ | 174.2° | 180.0° |
| CG | CD | CE | HE2 | 54.2° | 59.9° |
| CG | CD | CE | HE3 | 65.6° | 60.0° |
| HG2 | CG | CD | CE | 50.9° | 60.0° |
| HG2 | CG | CD | HD2 | 170.8° | 180.0° |
| HG2 | CG | CD | HD3 | 67.6° | 60.0° |
| HG3 | CG | CD | CE | 69.1° | 60.1° |
| HG3 | CG | CD | HD2 | 50.9° | 60.0° |
| HG3 | CG | CD | HD3 | 172.5° | 180.0° |
| CE | CD | HD2 | HD3 | 118.5° | 120.0° |
| CD | CE | NZ | HE2 | 120.0° | 120.1° |
| CD | CE | NZ | HE3 | 120.1° | 120.0° |
| CD | CE | HE2 | HE3 | 120.1° | 120.0° |
| CD | CE | NZ | C11 | 177.2° | 180.0° |
| CD | CE | NZ | HZ | 62.8° | 56.0° |
| HD2 | CD | CE | NZ | 65.8° | 59.9° |
| HD2 | CD | CE | HE2 | 174.2° | 180.0° |
| HD2 | CD | CE | HE3 | 54.4° | 60.0° |
| HD3 | CD | CE | NZ | 55.8° | 60.0° |
| HD3 | CD | CE | HE2 | 64.2° | 60.0° |
| HD3 | CD | CE | HE3 | 175.9° | 180.0° |
| NZ | CE | HE2 | HE3 | 120.1° | 120.0° |
| CE | NZ | C11 | HZ | 120.0° | 124.0° |
| CE | NZ | C11 | C12 | 62.1° | 60.0° |
| CE | NZ | C11 | C13 | 174.2° | 61.5° |
| CE | NZ | C11 | O30 | 55.2° | 176.9° |
| HE2 | CE | NZ | C11 | 57.2° | 60.0° |
| HE2 | CE | NZ | HZ | 177.2° | 176.1° |
| HE3 | CE | NZ | C11 | 62.6° | 60.0° |
| HE3 | CE | NZ | HZ | 57.4° | 63.9° |
| NZ | C11 | C12 | C13 | 124.7° | 121.5° |
| NZ | C11 | C12 | O30 | 120.2° | 119.3° |
| NZ | C11 | C13 | O30 | 121.3° | 121.6° |
| NZ | C11 | C13 | O15 | 161.3° | 124.3° |
| NZ | C11 | C13 | O14 | 19.5° | 55.7° |
| NZ | C11 | O30 | C28 | 131.5° | 97.9° |
| NZ | C11 | C12 | C27 | 127.4° | 118.2° |
| NZ | C11 | C12 | H121 | 7.4° | 0.3° |
| NZ | C11 | C12 | H122 | 112.4° | 123.4° |
| HZ | NZ | C11 | C12 | 58.0° | 176.0° |
| HZ | NZ | C11 | C13 | 65.8° | 62.5° |
| HZ | NZ | C11 | O30 | 175.2° | 59.1° |
| C12 | C11 | C13 | O30 | 114.6° | 116.9° |
| C12 | C11 | C13 | O15 | 37.2° | 114.2° |
| C12 | C11 | C13 | O14 | 143.6° | 65.8° |
| C12 | C11 | O30 | C28 | 11.3° | 21.3° |
| C11 | C12 | C27 | C28 | 0.5° | 16.5° |
| C11 | C12 | C27 | H121 | 120.0° | 118.4° |
| C11 | C12 | C27 | H122 | 120.1° | 118.5° |
| C11 | C12 | C27 | H271 | 119.5° | 102.0° |
| C11 | C12 | C27 | H272 | 123.1° | 135.0° |
| C11 | C12 | H121 | H122 | 120.1° | 123.1° |
| C11 | C13 | O15 | O14 | 179.2° | 180.0° |
| C11 | C13 | O14 | HO14 | 179.2° | 180.0° |
| C13 | C11 | O30 | C28 | 106.3° | 140.5° |
| C13 | C11 | C12 | C27 | 107.9° | 120.4° |
| C13 | C11 | C12 | H121 | 132.1° | 121.2° |
| C13 | C11 | C12 | H122 | 12.3° | 1.9° |
| O30 | C11 | C13 | O15 | 77.4° | 2.8° |
| O30 | C11 | C13 | O14 | 101.8° | 177.3° |
| C11 | O30 | C28 | C27 | 11.7° | 32.9° |
| C11 | O30 | C28 | O29 | 167.5° | 147.2° |
| O30 | C11 | C12 | C27 | 7.2° | 1.1° |
| O30 | C11 | C12 | H121 | 112.8° | 119.5° |
| O30 | C11 | C12 | H122 | 127.4° | 117.3° |
| O15 | C13 | O14 | HO14 | 0.0° | 0.1° |
| O30 | C28 | C27 | O29 | 179.2° | 179.9° |
| O30 | C28 | C27 | C12 | 6.5° | 30.6° |
| O30 | C28 | C27 | H271 | 126.5° | 87.8° |
| O30 | C28 | C27 | H272 | 116.1° | 149.2° |
| C28 | C27 | C12 | H271 | 120.0° | 118.5° |
| C28 | C27 | C12 | H272 | 122.5° | 118.5° |
| C28 | C27 | H271 | H272 | 122.8° | 122.9° |
| C28 | C27 | C12 | H121 | 119.5° | 101.9° |
| C28 | C27 | C12 | H122 | 120.7° | 134.9° |
| O29 | C28 | C27 | C12 | 172.7° | 149.5° |
| O29 | C28 | C27 | H271 | 52.6° | 92.1° |
| O29 | C28 | C27 | H272 | 64.8° | 30.9° |
| C12 | C27 | H271 | H272 | 122.9° | 123.0° |
| C27 | C12 | H121 | H122 | 120.2° | 123.1° |
| H271 | C27 | C12 | H121 | 120.5° | 139.6° |
| H271 | C27 | C12 | H122 | 0.7° | 16.5° |
| H272 | C27 | C12 | H121 | 3.1° | 16.6° |
| H272 | C27 | C12 | H122 | 116.8° | 106.5° |
| O1 | C | OXT | HXT | 0.0° | 0.0° |
