KWS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | CA3 | sing | 1.51Å | 1.53Å | |
| C3 | OXT | sing | 1.34Å | 1.43Å | |
| N1 | CA1 | sing | 1.47Å | 1.46Å | |
| N1 | H | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| O3 | C3 | doub | 1.21Å | 1.27Å | |
| C1 | N3 | sing | 1.37Å | 1.33Å | |
| C2 | N3 | sing | 1.35Å | 1.31Å | |
| C2 | O2 | doub | 1.22Å | 1.45Å | |
| N2 | C1 | doub | 1.30Å | 1.33Å | |
| N2 | CA2 | sing | 1.37Å | 1.36Å | |
| N3 | CA3 | sing | 1.47Å | 1.48Å | |
| CA1 | C1 | sing | 1.51Å | 1.45Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CB | CA1 | sing | 1.53Å | 1.51Å | |
| CB | CG2 | sing | 1.53Å | 1.53Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CA2 | C2 | sing | 1.48Å | 1.36Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| CB2 | CA2 | doub | 1.35Å | 1.53Å | |
| CB2 | HB2 | sing | 1.08Å | 1.08Å | |
| CB2 | HB2A | sing | 1.08Å | 1.08Å | |
| OG1 | CB | sing | 1.43Å | 1.43Å | |
| OG1 | HOG1 | sing | 0.97Å | 0.95Å | |
| CG2 | HG2 | sing | 1.09Å | 1.10Å | |
| CG2 | HG2A | sing | 1.09Å | 1.10Å | |
| CG2 | HG2B | 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) |
| CA3 | C3 | OXT | 117.2° | 120.0° |
| CA3 | C3 | O3 | 125.7° | 120.0° |
| C3 | CA3 | N3 | 105.7° | 109.5° |
| C3 | CA3 | HA31 | 110.4° | 109.5° |
| C3 | CA3 | HA32 | 110.4° | 109.5° |
| OXT | C3 | O3 | 117.1° | 120.0° |
| C3 | OXT | HXT | 109.5° | 117.0° |
| CA1 | N1 | H | 109.5° | 111.0° |
| CA1 | N1 | H2 | 109.5° | 111.0° |
| N1 | CA1 | C1 | 106.0° | 109.5° |
| N1 | CA1 | HA1 | 110.0° | 109.4° |
| N1 | CA1 | CB | 113.2° | 109.5° |
| H | N1 | H2 | 109.5° | 111.0° |
| C1 | N3 | C2 | 102.7° | 108.5° |
| N3 | C1 | N2 | 111.3° | 111.6° |
| C1 | N3 | CA3 | 130.3° | 125.7° |
| N3 | C1 | CA1 | 123.9° | 124.2° |
| N3 | C2 | O2 | 117.0° | 127.4° |
| C2 | N3 | CA3 | 126.1° | 125.8° |
| N3 | C2 | CA2 | 115.5° | 105.1° |
| O2 | C2 | CA2 | 127.4° | 127.5° |
| C1 | N2 | CA2 | 109.0° | 109.3° |
| N2 | C1 | CA1 | 124.3° | 124.2° |
| N2 | CA2 | C2 | 101.1° | 105.6° |
| N2 | CA2 | CB2 | 127.1° | 127.2° |
| N3 | CA3 | HA31 | 110.4° | 109.5° |
| N3 | CA3 | HA32 | 110.4° | 109.4° |
| C1 | CA1 | HA1 | 110.0° | 109.5° |
| C1 | CA1 | CB | 108.2° | 109.5° |
| HA1 | CA1 | CB | 109.3° | 109.4° |
| CA1 | CB | CG2 | 106.4° | 109.5° |
| CA1 | CB | HB | 108.2° | 109.5° |
| CA1 | CB | OG1 | 115.3° | 109.4° |
| CG2 | CB | HB | 107.9° | 109.5° |
| CG2 | CB | OG1 | 109.6° | 109.5° |
| CB | CG2 | HG2 | 109.5° | 109.5° |
| CB | CG2 | HG2A | 109.5° | 109.5° |
| CB | CG2 | HG2B | 109.5° | 109.5° |
| HB | CB | OG1 | 109.1° | 109.4° |
| C2 | CA2 | CB2 | 131.8° | 127.2° |
| HA31 | CA3 | HA32 | 109.5° | 109.5° |
| CA2 | CB2 | HB2 | 120.0° | 120.0° |
| CA2 | CB2 | HB2A | 120.0° | 120.0° |
| HB2 | CB2 | HB2A | 120.0° | 120.0° |
| CB | OG1 | HOG1 | 109.5° | 114.0° |
| HG2 | CG2 | HG2A | 109.4° | 109.5° |
| HG2 | CG2 | HG2B | 109.5° | 109.5° |
| HG2A | CG2 | HG2B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA3 | C3 | OXT | O3 | 180.0° | 179.7° |
| C3 | CA3 | N3 | C1 | 87.7° | 90.0° |
| C3 | CA3 | N3 | C2 | 79.8° | 90.0° |
| C3 | CA3 | N3 | HA31 | 119.4° | 120.1° |
| C3 | CA3 | N3 | HA32 | 119.4° | 120.0° |
| C3 | CA3 | HA31 | HA32 | 121.7° | 120.0° |
| CA3 | C3 | OXT | HXT | 180.0° | 180.0° |
| OXT | C3 | CA3 | N3 | 164.1° | 180.0° |
| OXT | C3 | CA3 | HA31 | 44.7° | 60.0° |
| OXT | C3 | CA3 | HA32 | 76.4° | 60.0° |
| CA1 | N1 | H | H2 | 120.0° | 124.0° |
| N1 | CA1 | C1 | N3 | 59.2° | 144.9° |
| N1 | CA1 | C1 | N2 | 128.5° | 34.7° |
| N1 | CA1 | C1 | HA1 | 118.8° | 120.0° |
| N1 | CA1 | C1 | CB | 121.8° | 120.0° |
| N1 | CA1 | HA1 | CB | 124.9° | 119.9° |
| N1 | CA1 | CB | CG2 | 71.5° | 54.9° |
| N1 | CA1 | CB | HB | 172.7° | 175.0° |
| N1 | CA1 | CB | OG1 | 50.2° | 65.1° |
| H | N1 | CA1 | C1 | 180.0° | 60.0° |
| H | N1 | CA1 | HA1 | 61.1° | 180.0° |
| H | N1 | CA1 | CB | 61.5° | 60.1° |
| H2 | N1 | CA1 | C1 | 60.0° | 176.0° |
| H2 | N1 | CA1 | HA1 | 58.9° | 56.0° |
| H2 | N1 | CA1 | CB | 178.5° | 63.9° |
| O3 | C3 | CA3 | N3 | 15.9° | 0.3° |
| O3 | C3 | CA3 | HA31 | 135.3° | 119.7° |
| O3 | C3 | CA3 | HA32 | 103.6° | 120.3° |
| O3 | C3 | OXT | HXT | 0.0° | 0.3° |
| C1 | N3 | C2 | CA3 | 170.3° | 179.9° |
| C1 | N3 | C2 | O2 | 177.0° | 180.0° |
| N3 | C1 | N2 | CA1 | 173.2° | 179.6° |
| N3 | C1 | N2 | CA2 | 4.7° | 0.1° |
| N3 | C1 | CA1 | HA1 | 59.7° | 24.9° |
| N3 | C1 | CA1 | CB | 179.1° | 95.0° |
| C1 | N3 | C2 | CA2 | 5.8° | 0.1° |
| C1 | N3 | CA3 | HA31 | 152.9° | 30.1° |
| C1 | N3 | CA3 | HA32 | 31.7° | 150.1° |
| N3 | C2 | O2 | CA2 | 176.9° | 179.9° |
| C2 | N3 | C1 | N2 | 6.1° | 0.1° |
| N3 | C2 | CA2 | N2 | 3.1° | 0.0° |
| C2 | N3 | C1 | CA1 | 179.4° | 179.7° |
| C2 | N3 | CA3 | HA31 | 39.6° | 150.0° |
| C2 | N3 | CA3 | HA32 | 160.8° | 30.0° |
| N3 | C2 | CA2 | CB2 | 179.4° | 179.9° |
| O2 | C2 | CA2 | N2 | 180.0° | 180.0° |
| O2 | C2 | N3 | CA3 | 6.8° | 0.1° |
| O2 | C2 | CA2 | CB2 | 2.5° | 0.0° |
| N2 | C1 | N3 | CA3 | 175.8° | 180.0° |
| N2 | C1 | CA1 | HA1 | 112.7° | 154.7° |
| N2 | C1 | CA1 | CB | 6.7° | 85.4° |
| C1 | N2 | CA2 | C2 | 1.0° | 0.0° |
| C1 | N2 | CA2 | CB2 | 176.7° | 180.0° |
| CA2 | N2 | C1 | CA1 | 177.9° | 179.7° |
| N2 | CA2 | C2 | CB2 | 177.5° | 180.0° |
| N2 | CA2 | CB2 | HB2 | 0.0° | 0.0° |
| N2 | CA2 | CB2 | HB2A | 180.0° | 179.9° |
| CA3 | N3 | C1 | CA1 | 10.9° | 0.3° |
| CA3 | N3 | C2 | CA2 | 176.0° | 180.0° |
| N3 | CA3 | HA31 | HA32 | 121.7° | 120.0° |
| C1 | CA1 | HA1 | CB | 118.7° | 120.0° |
| C1 | CA1 | CB | CG2 | 171.3° | 175.0° |
| C1 | CA1 | CB | HB | 55.6° | 64.9° |
| C1 | CA1 | CB | OG1 | 67.0° | 55.0° |
| HA1 | CA1 | CB | CG2 | 51.5° | 65.0° |
| HA1 | CA1 | CB | HB | 64.3° | 55.1° |
| HA1 | CA1 | CB | OG1 | 173.2° | 175.0° |
| CA1 | CB | CG2 | HB | 116.0° | 120.1° |
| CA1 | CB | CG2 | OG1 | 125.3° | 120.0° |
| CA1 | CB | HB | OG1 | 126.2° | 120.0° |
| CA1 | CB | OG1 | HOG1 | 180.0° | 60.0° |
| CA1 | CB | CG2 | HG2 | 180.0° | 59.9° |
| CA1 | CB | CG2 | HG2A | 60.0° | 180.0° |
| CA1 | CB | CG2 | HG2B | 60.0° | 60.0° |
| CG2 | CB | HB | OG1 | 119.0° | 120.0° |
| CG2 | CB | OG1 | HOG1 | 60.0° | 60.0° |
| CB | CG2 | HG2 | HG2A | 120.0° | 120.0° |
| CB | CG2 | HG2 | HG2B | 120.0° | 120.0° |
| CB | CG2 | HG2A | HG2B | 120.0° | 120.0° |
| HB | CB | OG1 | HOG1 | 58.0° | 180.0° |
| HB | CB | CG2 | HG2 | 64.0° | 180.0° |
| HB | CB | CG2 | HG2A | 56.0° | 60.0° |
| HB | CB | CG2 | HG2B | 176.0° | 60.0° |
| C2 | CA2 | CB2 | HB2 | 176.9° | 180.0° |
| C2 | CA2 | CB2 | HB2A | 3.1° | 0.0° |
| CA2 | CB2 | HB2 | HB2A | 180.0° | 180.0° |
| OG1 | CB | CG2 | HG2 | 54.7° | 60.0° |
| OG1 | CB | CG2 | HG2A | 174.7° | 60.0° |
| OG1 | CB | CG2 | HG2B | 65.3° | 180.0° |
| HG2 | CG2 | HG2A | HG2B | 120.0° | 120.0° |
