HHK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.46Å | 1.45Å | |
| N | H | sing | 1.00Å | 1.02Å | |
| N | H2 | sing | 1.00Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.52Å | 1.53Å | |
| CA | HA | sing | 1.10Å | 1.09Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HB2 | sing | 1.10Å | 1.09Å | |
| CB | HB3 | sing | 1.10Å | 1.09Å | |
| CG | CD | sing | 1.53Å | 1.53Å | |
| CG | HG2 | sing | 1.10Å | 1.09Å | |
| CG | HG3 | sing | 1.10Å | 1.09Å | |
| CD | CE | sing | 1.53Å | 1.53Å | |
| CD | HD2 | sing | 1.10Å | 1.09Å | |
| CD | HD3 | sing | 1.10Å | 1.09Å | |
| CE | CZ | sing | 1.53Å | 1.54Å | |
| CE | HE2 | sing | 1.10Å | 1.09Å | |
| CE | HE3 | sing | 1.10Å | 1.09Å | |
| CZ | CT | sing | 1.53Å | 1.54Å | |
| CZ | HZ2 | sing | 1.10Å | 1.07Å | |
| CZ | HZ3 | sing | 1.10Å | 1.07Å | |
| CT | NH | sing | 1.46Å | 1.48Å | |
| CT | HT2 | sing | 1.10Å | 1.07Å | |
| CT | HT1 | sing | 1.09Å | 1.07Å | |
| NH | HH1 | sing | 1.00Å | 1.02Å | |
| NH | HH2 | sing | 1.00Å | 1.02Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| C | OXT | sing | 1.36Å | 5.71Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 110.4° | 117.8° |
| CA | N | H2 | 111.9° | 117.9° |
| N | CA | CB | 110.4° | 109.5° |
| N | CA | C | 109.3° | 106.6° |
| N | CA | HA | 107.4° | 107.8° |
| H | N | H2 | 111.8° | 122.8° |
| CB | CA | C | 113.8° | 111.3° |
| CB | CA | HA | 107.2° | 111.1° |
| CA | CB | CG | 111.1° | 112.8° |
| CA | CB | HB2 | 109.8° | 110.2° |
| CA | CB | HB3 | 109.6° | 109.3° |
| C | CA | HA | 108.5° | 110.3° |
| CA | C | O | 120.5° | 125.1° |
| CA | C | OXT | 69.9° | 112.3° |
| CG | CB | HB2 | 109.7° | 109.0° |
| CG | CB | HB3 | 109.7° | 108.6° |
| CB | CG | CD | 110.9° | 111.1° |
| CB | CG | HG2 | 109.7° | 109.4° |
| CB | CG | HG3 | 109.6° | 109.6° |
| HB2 | CB | HB3 | 106.9° | 106.8° |
| CD | CG | HG2 | 109.7° | 109.5° |
| CD | CG | HG3 | 109.8° | 109.6° |
| CG | CD | CE | 111.0° | 113.4° |
| CG | CD | HD2 | 109.6° | 109.1° |
| CG | CD | HD3 | 109.7° | 109.8° |
| HG2 | CG | HG3 | 107.1° | 107.6° |
| CE | CD | HD2 | 109.7° | 107.9° |
| CE | CD | HD3 | 109.8° | 110.1° |
| CD | CE | CZ | 109.8° | 115.9° |
| CD | CE | HE2 | 109.9° | 108.4° |
| CD | CE | HE3 | 109.8° | 108.8° |
| HD2 | CD | HD3 | 107.0° | 106.2° |
| CZ | CE | HE2 | 110.2° | 108.8° |
| CZ | CE | HE3 | 110.2° | 108.3° |
| CE | CZ | CT | 109.5° | 113.4° |
| CE | CZ | HZ2 | 109.4° | 109.9° |
| CE | CZ | HZ3 | 109.5° | 107.8° |
| HE2 | CE | HE3 | 107.1° | 106.3° |
| CT | CZ | HZ2 | 109.6° | 110.1° |
| CT | CZ | HZ3 | 109.4° | 109.2° |
| CZ | CT | NH | 109.5° | 110.9° |
| CZ | CT | HT2 | 109.4° | 110.3° |
| CZ | CT | HT1 | 109.5° | 110.7° |
| HZ2 | CZ | HZ3 | 109.4° | 106.2° |
| NH | CT | HT2 | 109.5° | 108.9° |
| NH | CT | HT1 | 109.5° | 108.3° |
| CT | NH | HH1 | 109.5° | 118.1° |
| CT | NH | HH2 | 112.2° | 118.1° |
| HT2 | CT | HT1 | 109.4° | 107.5° |
| HH1 | NH | HH2 | 112.2° | 122.4° |
| O | C | OXT | 169.6° | 122.7° |
| C | OXT | HXT | 69.9° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.3° | 165.9° |
| N | CA | CB | C | 123.4° | 117.6° |
| N | CA | CB | HA | 116.7° | 119.0° |
| N | CA | C | HA | 116.8° | 116.8° |
| N | CA | CB | CG | 112.7° | 64.4° |
| N | CA | CB | HB2 | 8.8° | 57.6° |
| N | CA | CB | HB3 | 126.0° | 174.7° |
| N | CA | C | O | 140.1° | 3.2° |
| N | CA | C | OXT | 40.3° | 175.6° |
| H | N | CA | CB | 180.0° | 38.8° |
| H | N | CA | C | 54.1° | 81.7° |
| H | N | CA | HA | 63.4° | 159.9° |
| H2 | N | CA | CB | 54.8° | 154.6° |
| H2 | N | CA | C | 179.3° | 84.9° |
| H2 | N | CA | HA | 61.8° | 33.6° |
| CB | CA | C | HA | 119.2° | 123.8° |
| CA | CB | CG | HB2 | 121.5° | 122.7° |
| CA | CB | CG | HB3 | 121.3° | 121.2° |
| CA | CB | HB2 | HB3 | 118.8° | 118.6° |
| CA | CB | CG | CD | 89.3° | 177.2° |
| CA | CB | CG | HG2 | 149.4° | 61.7° |
| CA | CB | CG | HG3 | 32.1° | 56.0° |
| CB | CA | C | O | 95.9° | 116.2° |
| CB | CA | C | OXT | 83.7° | 65.0° |
| C | CA | CB | CG | 124.0° | 177.9° |
| C | CA | CB | HB2 | 114.6° | 60.0° |
| C | CA | CB | HB3 | 2.6° | 57.1° |
| CA | C | O | OXT | 177.7° | 178.6° |
| CA | C | OXT | HXT | 180.0° | 178.7° |
| HA | CA | CB | CG | 4.0° | 54.6° |
| HA | CA | CB | HB2 | 125.5° | 176.7° |
| HA | CA | CB | HB3 | 117.4° | 66.2° |
| HA | CA | C | O | 23.3° | 120.0° |
| HA | CA | C | OXT | 157.1° | 58.8° |
| CG | CB | HB2 | HB3 | 118.9° | 117.1° |
| CB | CG | CD | HG2 | 121.3° | 121.0° |
| CB | CG | CD | HG3 | 121.3° | 121.3° |
| CB | CG | HG2 | HG3 | 118.9° | 119.0° |
| CB | CG | CD | CE | 81.1° | 179.0° |
| CB | CG | CD | HD2 | 157.5° | 58.6° |
| CB | CG | CD | HD3 | 40.3° | 57.4° |
| HB2 | CB | CG | CD | 32.3° | 60.0° |
| HB2 | CB | CG | HG2 | 89.0° | 61.0° |
| HB2 | CB | CG | HG3 | 153.7° | 178.7° |
| HB3 | CB | CG | CD | 149.4° | 56.0° |
| HB3 | CB | CG | HG2 | 28.1° | 177.0° |
| HB3 | CB | CG | HG3 | 89.2° | 65.3° |
| CD | CG | HG2 | HG3 | 119.0° | 119.0° |
| CG | CD | CE | HD2 | 121.3° | 121.0° |
| CG | CD | CE | HD3 | 121.4° | 123.5° |
| CG | CD | HD2 | HD3 | 118.8° | 118.3° |
| CG | CD | CE | CZ | 91.4° | 177.4° |
| CG | CD | CE | HE2 | 29.9° | 60.0° |
| CG | CD | CE | HE3 | 147.3° | 55.1° |
| HG2 | CG | CD | CE | 40.2° | 60.0° |
| HG2 | CG | CD | HD2 | 81.2° | 179.6° |
| HG2 | CG | CD | HD3 | 161.7° | 63.6° |
| HG3 | CG | CD | CE | 157.6° | 57.7° |
| HG3 | CG | CD | HD2 | 36.2° | 62.6° |
| HG3 | CG | CD | HD3 | 81.0° | 178.6° |
| CE | CD | HD2 | HD3 | 119.1° | 118.0° |
| CD | CE | CZ | HE2 | 121.1° | 122.3° |
| CD | CE | CZ | HE3 | 121.0° | 122.6° |
| CD | CE | HE2 | HE3 | 119.1° | 116.8° |
| CD | CE | CZ | CT | 113.7° | 176.3° |
| CD | CE | CZ | HZ2 | 126.2° | 60.0° |
| CD | CE | CZ | HZ3 | 6.3° | 55.3° |
| HD2 | CD | CE | CZ | 147.3° | 61.6° |
| HD2 | CD | CE | HE2 | 91.4° | 60.9° |
| HD2 | CD | CE | HE3 | 26.1° | 176.1° |
| HD3 | CD | CE | CZ | 30.0° | 53.9° |
| HD3 | CD | CE | HE2 | 151.3° | 176.5° |
| HD3 | CD | CE | HE3 | 91.2° | 68.4° |
| CZ | CE | HE2 | HE3 | 119.8° | 116.4° |
| CE | CZ | CT | HZ2 | 120.0° | 123.6° |
| CE | CZ | CT | HZ3 | 120.0° | 120.2° |
| CE | CZ | HZ2 | HZ3 | 119.9° | 116.4° |
| CE | CZ | CT | NH | 134.2° | 179.2° |
| CE | CZ | CT | HT2 | 14.1° | 60.0° |
| CE | CZ | CT | HT1 | 105.8° | 58.9° |
| HE2 | CE | CZ | CT | 7.4° | 61.3° |
| HE2 | CE | CZ | HZ2 | 112.7° | 62.3° |
| HE2 | CE | CZ | HZ3 | 127.4° | 177.6° |
| HE3 | CE | CZ | CT | 125.3° | 53.8° |
| HE3 | CE | CZ | HZ2 | 5.2° | 177.4° |
| HE3 | CE | CZ | HZ3 | 114.7° | 67.3° |
| CT | CZ | HZ2 | HZ3 | 120.0° | 118.1° |
| CZ | CT | NH | HT2 | 119.9° | 121.6° |
| CZ | CT | NH | HT1 | 120.1° | 121.7° |
| CZ | CT | HT2 | HT1 | 120.0° | 120.8° |
| CZ | CT | NH | HH1 | 180.0° | 33.6° |
| CZ | CT | NH | HH2 | 54.7° | 159.8° |
| HZ2 | CZ | CT | NH | 105.9° | 55.6° |
| HZ2 | CZ | CT | HT2 | 134.1° | 176.4° |
| HZ2 | CZ | CT | HT1 | 14.2° | 64.7° |
| HZ3 | CZ | CT | NH | 14.1° | 60.6° |
| HZ3 | CZ | CT | HT2 | 105.9° | 60.2° |
| HZ3 | CZ | CT | HT1 | 134.2° | 179.1° |
| NH | CT | HT2 | HT1 | 120.1° | 117.2° |
| CT | NH | HH1 | HH2 | 125.3° | 166.0° |
| HT2 | CT | NH | HH1 | 60.1° | 88.0° |
| HT2 | CT | NH | HH2 | 65.2° | 78.7° |
| HT1 | CT | NH | HH1 | 59.9° | 155.3° |
| HT1 | CT | NH | HH2 | 174.8° | 38.0° |
| O | C | OXT | HXT | 2.1° | 0.0° |
