KRI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| N | HN1 | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HB1 | sing | 1.09Å | 1.12Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CG | SD | sing | 1.81Å | 1.83Å | |
| CG | HG1 | sing | 1.09Å | 1.12Å | |
| CG | HG2 | sing | 1.09Å | 1.11Å | |
| SD | C5 | sing | 1.81Å | 1.83Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.51Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | O2 | doub | 1.21Å | 1.23Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 119.3° | 120.0° |
| O | C | CA | 120.3° | 120.0° |
| OXT | C | CA | 120.4° | 120.1° |
| C | OXT | HXT | 119.3° | 120.1° |
| C | CA | N | 109.5° | 109.5° |
| C | CA | CB | 110.4° | 109.6° |
| C | CA | HA | 108.7° | 109.4° |
| N | CA | CB | 109.1° | 109.4° |
| N | CA | HA | 110.0° | 109.4° |
| CA | N | HN1 | 112.2° | 106.7° |
| CA | N | HN2 | 109.5° | 106.7° |
| CB | CA | HA | 109.2° | 109.4° |
| CA | CB | CG | 111.8° | 109.6° |
| CA | CB | HB1 | 111.3° | 109.4° |
| CA | CB | HB2 | 111.3° | 109.4° |
| HN1 | N | HN2 | 112.2° | 106.7° |
| CG | CB | HB1 | 111.4° | 109.5° |
| CG | CB | HB2 | 111.3° | 109.5° |
| CB | CG | SD | 113.0° | 109.6° |
| CB | CG | HG1 | 110.9° | 109.5° |
| CB | CG | HG2 | 110.9° | 109.5° |
| HB1 | CB | HB2 | 99.0° | 109.5° |
| SD | CG | HG1 | 110.9° | 109.4° |
| SD | CG | HG2 | 110.9° | 109.4° |
| CG | SD | C5 | 100.1° | 100.1° |
| HG1 | CG | HG2 | 99.4° | 109.5° |
| SD | C5 | C4 | 113.0° | 109.6° |
| SD | C5 | H51 | 110.9° | 109.4° |
| SD | C5 | H52 | 110.9° | 109.4° |
| C4 | C5 | H51 | 110.9° | 109.5° |
| C4 | C5 | H52 | 110.9° | 109.5° |
| C5 | C4 | O4 | 109.1° | 109.5° |
| C5 | C4 | C3 | 110.8° | 109.6° |
| C5 | C4 | H4 | 108.9° | 109.4° |
| H51 | C5 | H52 | 99.4° | 109.5° |
| O4 | C4 | C3 | 109.6° | 109.5° |
| O4 | C4 | H4 | 110.1° | 109.4° |
| C4 | O4 | HO4 | 109.1° | 106.7° |
| C3 | C4 | H4 | 108.4° | 109.5° |
| C4 | C3 | O3 | 109.3° | 109.4° |
| C4 | C3 | C2 | 109.6° | 109.5° |
| C4 | C3 | H3 | 109.5° | 109.5° |
| O3 | C3 | C2 | 109.4° | 109.5° |
| O3 | C3 | H3 | 109.7° | 109.5° |
| C3 | O3 | HO3 | 109.2° | 106.9° |
| C2 | C3 | H3 | 109.3° | 109.5° |
| C3 | C2 | O2 | 120.3° | 120.0° |
| C3 | C2 | C1 | 119.2° | 120.0° |
| O2 | C2 | C1 | 120.4° | 120.0° |
| C2 | C1 | O1 | 111.3° | 109.5° |
| C2 | C1 | H11 | 111.5° | 109.4° |
| C2 | C1 | H12 | 111.5° | 109.5° |
| O1 | C1 | H11 | 111.6° | 109.5° |
| O1 | C1 | H12 | 111.5° | 109.5° |
| C1 | O1 | HO1 | 111.3° | 106.9° |
| H11 | C1 | H12 | 98.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 179.8° | 179.9° |
| O | C | OXT | HXT | 180.0° | 0.0° |
| O | C | CA | N | 155.5° | 30.1° |
| O | C | CA | CB | 84.4° | 89.9° |
| O | C | CA | HA | 35.3° | 150.1° |
| OXT | C | CA | N | 24.7° | 150.0° |
| OXT | C | CA | CB | 95.5° | 89.9° |
| OXT | C | CA | HA | 144.9° | 30.0° |
| CA | C | OXT | HXT | 0.2° | 179.9° |
| C | CA | N | CB | 120.9° | 120.1° |
| C | CA | N | HA | 119.4° | 120.0° |
| C | CA | CB | HA | 119.4° | 120.0° |
| C | CA | N | HN1 | 54.7° | 60.0° |
| C | CA | N | HN2 | 180.0° | 173.8° |
| C | CA | CB | CG | 66.3° | 180.0° |
| C | CA | CB | HB1 | 59.0° | 60.0° |
| C | CA | CB | HB2 | 168.5° | 59.9° |
| N | CA | CB | HA | 120.2° | 119.9° |
| CA | N | HN1 | HN2 | 123.8° | 113.8° |
| N | CA | CB | CG | 173.3° | 59.9° |
| N | CA | CB | HB1 | 61.4° | 60.1° |
| N | CA | CB | HB2 | 48.1° | 180.0° |
| CB | CA | N | HN1 | 66.2° | 60.1° |
| CB | CA | N | HN2 | 59.1° | 53.7° |
| CA | CB | CG | HB1 | 125.2° | 120.0° |
| CA | CB | CG | HB2 | 125.2° | 120.0° |
| CA | CB | HB1 | HB2 | 117.2° | 119.9° |
| CA | CB | CG | SD | 179.0° | 180.0° |
| CA | CB | CG | HG1 | 55.7° | 60.0° |
| CA | CB | CG | HG2 | 53.7° | 60.0° |
| HA | CA | N | HN1 | 174.1° | 180.0° |
| HA | CA | N | HN2 | 60.6° | 66.2° |
| HA | CA | CB | CG | 53.2° | 59.9° |
| HA | CA | CB | HB1 | 178.4° | 180.0° |
| HA | CA | CB | HB2 | 72.1° | 60.1° |
| CG | CB | HB1 | HB2 | 117.2° | 120.0° |
| CB | CG | SD | HG1 | 125.3° | 120.1° |
| CB | CG | SD | HG2 | 125.2° | 120.0° |
| CB | CG | HG1 | HG2 | 116.8° | 120.0° |
| CB | CG | SD | C5 | 69.8° | 180.0° |
| HB1 | CB | CG | SD | 53.7° | 60.0° |
| HB1 | CB | CG | HG1 | 179.0° | 180.0° |
| HB1 | CB | CG | HG2 | 71.5° | 60.0° |
| HB2 | CB | CG | SD | 55.8° | 60.0° |
| HB2 | CB | CG | HG1 | 69.5° | 60.0° |
| HB2 | CB | CG | HG2 | 179.0° | 180.0° |
| SD | CG | HG1 | HG2 | 116.8° | 119.9° |
| CG | SD | C5 | C4 | 111.0° | 180.0° |
| CG | SD | C5 | H51 | 123.8° | 60.0° |
| CG | SD | C5 | H52 | 14.3° | 60.0° |
| HG1 | CG | SD | C5 | 55.4° | 60.0° |
| HG2 | CG | SD | C5 | 165.0° | 60.0° |
| SD | C5 | C4 | H51 | 125.3° | 120.0° |
| SD | C5 | C4 | H52 | 125.3° | 120.0° |
| SD | C5 | H51 | H52 | 116.8° | 119.9° |
| SD | C5 | C4 | O4 | 59.2° | 59.9° |
| SD | C5 | C4 | C3 | 179.9° | 180.0° |
| SD | C5 | C4 | H4 | 61.0° | 60.0° |
| C4 | C5 | H51 | H52 | 116.7° | 120.0° |
| C5 | C4 | O4 | C3 | 121.4° | 120.1° |
| C5 | C4 | O4 | H4 | 119.4° | 119.9° |
| C5 | C4 | C3 | H4 | 119.4° | 120.0° |
| C5 | C4 | O4 | HO4 | 180.0° | 60.1° |
| C5 | C4 | C3 | O3 | 60.5° | 60.0° |
| C5 | C4 | C3 | C2 | 179.7° | 180.0° |
| C5 | C4 | C3 | H3 | 59.7° | 60.0° |
| H51 | C5 | C4 | O4 | 175.6° | 60.1° |
| H51 | C5 | C4 | C3 | 54.9° | 60.0° |
| H51 | C5 | C4 | H4 | 64.2° | 179.9° |
| H52 | C5 | C4 | O4 | 66.1° | 179.9° |
| H52 | C5 | C4 | C3 | 54.6° | 60.0° |
| H52 | C5 | C4 | H4 | 173.7° | 60.1° |
| O4 | C4 | C3 | H4 | 120.2° | 119.9° |
| O4 | C4 | C3 | O3 | 179.1° | 180.0° |
| O4 | C4 | C3 | C2 | 59.3° | 60.0° |
| O4 | C4 | C3 | H3 | 60.7° | 60.1° |
| C3 | C4 | O4 | HO4 | 58.6° | 60.0° |
| C4 | C3 | O3 | C2 | 120.0° | 120.0° |
| C4 | C3 | O3 | H3 | 120.1° | 120.0° |
| C4 | C3 | C2 | H3 | 120.0° | 120.0° |
| C4 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C4 | C3 | C2 | O2 | 69.4° | 90.0° |
| C4 | C3 | C2 | C1 | 110.5° | 90.0° |
| H4 | C4 | O4 | HO4 | 60.6° | 180.0° |
| H4 | C4 | C3 | O3 | 58.9° | 60.0° |
| H4 | C4 | C3 | C2 | 60.9° | 60.0° |
| H4 | C4 | C3 | H3 | 179.1° | 180.0° |
| O3 | C3 | C2 | H3 | 120.2° | 120.0° |
| O3 | C3 | C2 | O2 | 50.4° | 30.0° |
| O3 | C3 | C2 | C1 | 129.7° | 150.0° |
| C2 | C3 | O3 | HO3 | 60.0° | 60.0° |
| C3 | C2 | O2 | C1 | 179.9° | 180.0° |
| C3 | C2 | C1 | O1 | 74.8° | 180.0° |
| C3 | C2 | C1 | H11 | 160.0° | 60.0° |
| C3 | C2 | C1 | H12 | 50.5° | 59.9° |
| H3 | C3 | O3 | HO3 | 59.9° | 180.0° |
| H3 | C3 | C2 | O2 | 170.6° | 149.9° |
| H3 | C3 | C2 | C1 | 9.6° | 30.0° |
| O2 | C2 | C1 | O1 | 105.1° | 0.0° |
| O2 | C2 | C1 | H11 | 20.2° | 120.1° |
| O2 | C2 | C1 | H12 | 129.6° | 120.0° |
| C2 | C1 | O1 | H11 | 125.3° | 120.0° |
| C2 | C1 | O1 | H12 | 125.3° | 120.0° |
| C2 | C1 | H11 | H12 | 117.4° | 119.9° |
| C2 | C1 | O1 | HO1 | 180.0° | 179.9° |
| O1 | C1 | H11 | H12 | 117.4° | 120.0° |
| H11 | C1 | O1 | HO1 | 54.7° | 60.0° |
| H12 | C1 | O1 | HO1 | 54.7° | 60.0° |
