HGS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O11 | doub | 1.21Å | 1.22Å | |
| C1 | O12 | sing | 1.34Å | 1.30Å | |
| C1 | CA1 | sing | 1.51Å | 1.54Å | |
| N1 | CA1 | sing | 1.47Å | 1.46Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| N1 | HN1A | sing | 1.01Å | 1.00Å | |
| C2 | O2 | doub | 1.21Å | 1.29Å | |
| C2 | N3 | sing | 1.35Å | 1.44Å | |
| C2 | CA2 | sing | 1.51Å | 1.59Å | |
| N2 | CA2 | sing | 1.46Å | 1.47Å | |
| N2 | CD1 | sing | 1.35Å | 1.26Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N3 | CA3 | sing | 1.47Å | 1.61Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C4 | O41 | sing | 1.34Å | 1.41Å | |
| C4 | O42 | doub | 1.21Å | 1.37Å | |
| C4 | CA4 | sing | 1.51Å | 1.69Å | |
| CA1 | CB1 | sing | 1.53Å | 1.53Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CA2 | CB2 | sing | 1.53Å | 1.63Å | |
| CA2 | HA2 | sing | 1.09Å | 1.10Å | |
| CA3 | CA4 | sing | 1.53Å | 1.63Å | |
| CA3 | HA3 | sing | 1.09Å | 1.10Å | |
| CA3 | HA3A | sing | 1.09Å | 1.10Å | |
| CA4 | HA4 | sing | 1.09Å | 1.10Å | |
| CA4 | HA4A | sing | 1.09Å | 1.10Å | |
| CB1 | CG1 | sing | 1.53Å | 1.57Å | |
| CB1 | HB1 | sing | 1.09Å | 1.10Å | |
| CB1 | HB1A | sing | 1.09Å | 1.10Å | |
| CB2 | SG2 | sing | 1.81Å | 1.84Å | |
| CB2 | HB2 | sing | 1.09Å | 1.10Å | |
| CB2 | HB2A | sing | 1.09Å | 1.10Å | |
| CD1 | OE1 | doub | 1.21Å | 1.35Å | |
| CD1 | CG1 | sing | 1.51Å | 1.47Å | |
| CG1 | HG1 | sing | 1.09Å | 1.10Å | |
| CG1 | HG1A | sing | 1.09Å | 1.10Å | |
| SG2 | HSG2 | sing | 1.35Å | 1.30Å | |
| O12 | H18 | sing | 0.97Å | 0.95Å | |
| O41 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C1 | O12 | 125.7° | 120.0° |
| O11 | C1 | CA1 | 106.0° | 120.0° |
| O12 | C1 | CA1 | 127.3° | 120.0° |
| C1 | O12 | H18 | 109.5° | 117.0° |
| C1 | CA1 | N1 | 127.5° | 109.5° |
| C1 | CA1 | CB1 | 108.1° | 109.5° |
| C1 | CA1 | HA1 | 98.8° | 109.4° |
| CA1 | N1 | HN1 | 109.5° | 111.0° |
| CA1 | N1 | HN1A | 109.5° | 111.0° |
| N1 | CA1 | CB1 | 116.1° | 109.5° |
| N1 | CA1 | HA1 | 84.7° | 109.5° |
| HN1 | N1 | HN1A | 109.5° | 111.0° |
| O2 | C2 | N3 | 118.9° | 120.0° |
| O2 | C2 | CA2 | 104.9° | 120.0° |
| N3 | C2 | CA2 | 136.0° | 120.0° |
| C2 | N3 | CA3 | 155.2° | 120.0° |
| C2 | N3 | HN3 | 102.4° | 120.0° |
| C2 | CA2 | N2 | 112.2° | 109.5° |
| C2 | CA2 | CB2 | 116.9° | 109.5° |
| C2 | CA2 | HA2 | 101.8° | 109.4° |
| CA2 | N2 | CD1 | 125.8° | 120.1° |
| CA2 | N2 | HN2 | 117.1° | 120.0° |
| N2 | CA2 | CB2 | 109.3° | 109.5° |
| N2 | CA2 | HA2 | 110.8° | 109.5° |
| CD1 | N2 | HN2 | 117.1° | 119.9° |
| N2 | CD1 | OE1 | 131.5° | 120.0° |
| N2 | CD1 | CG1 | 109.0° | 120.1° |
| CA3 | N3 | HN3 | 102.4° | 119.9° |
| N3 | CA3 | CA4 | 129.0° | 109.5° |
| N3 | CA3 | HA3 | 103.4° | 109.4° |
| N3 | CA3 | HA3A | 103.4° | 109.5° |
| O41 | C4 | O42 | 135.2° | 120.0° |
| O41 | C4 | CA4 | 113.4° | 120.0° |
| C4 | O41 | H19 | 109.5° | 117.0° |
| O42 | C4 | CA4 | 111.1° | 120.0° |
| C4 | CA4 | CA3 | 129.9° | 109.5° |
| C4 | CA4 | HA4 | 103.1° | 109.5° |
| C4 | CA4 | HA4A | 103.2° | 109.5° |
| CB1 | CA1 | HA1 | 118.0° | 109.5° |
| CA1 | CB1 | CG1 | 99.1° | 109.5° |
| CA1 | CB1 | HB1 | 113.1° | 109.5° |
| CA1 | CB1 | HB1A | 113.1° | 109.5° |
| CB2 | CA2 | HA2 | 105.3° | 109.5° |
| CA2 | CB2 | SG2 | 96.1° | 109.5° |
| CA2 | CB2 | HB2 | 114.2° | 109.5° |
| CA2 | CB2 | HB2A | 114.2° | 109.5° |
| CA4 | CA3 | HA3 | 103.4° | 109.5° |
| CA4 | CA3 | HA3A | 103.4° | 109.5° |
| CA3 | CA4 | HA4 | 103.2° | 109.5° |
| CA3 | CA4 | HA4A | 103.1° | 109.4° |
| HA3 | CA3 | HA3A | 114.8° | 109.5° |
| HA4 | CA4 | HA4A | 115.0° | 109.5° |
| CG1 | CB1 | HB1 | 113.1° | 109.5° |
| CG1 | CB1 | HB1A | 113.1° | 109.5° |
| CB1 | CG1 | CD1 | 118.2° | 109.5° |
| CB1 | CG1 | HG1 | 106.6° | 109.5° |
| CB1 | CG1 | HG1A | 106.7° | 109.5° |
| HB1 | CB1 | HB1A | 105.6° | 109.4° |
| SG2 | CB2 | HB2 | 114.2° | 109.4° |
| SG2 | CB2 | HB2A | 114.2° | 109.5° |
| CB2 | SG2 | HSG2 | 102.0° | 103.0° |
| HB2 | CB2 | HB2A | 104.4° | 109.5° |
| OE1 | CD1 | CG1 | 119.5° | 120.0° |
| CD1 | CG1 | HG1 | 106.6° | 109.5° |
| CD1 | CG1 | HG1A | 106.6° | 109.4° |
| HG1 | CG1 | HG1A | 112.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C1 | O12 | CA1 | 166.4° | 179.7° |
| O11 | C1 | CA1 | N1 | 90.1° | 20.1° |
| O11 | C1 | CA1 | CB1 | 123.4° | 100.0° |
| O11 | C1 | CA1 | HA1 | 0.0° | 140.1° |
| O11 | C1 | O12 | H18 | 0.0° | 0.0° |
| O12 | C1 | CA1 | N1 | 101.4° | 160.3° |
| O12 | C1 | CA1 | CB1 | 45.2° | 79.7° |
| O12 | C1 | CA1 | HA1 | 168.6° | 40.3° |
| C1 | CA1 | N1 | CB1 | 144.3° | 120.0° |
| C1 | CA1 | N1 | HA1 | 97.0° | 120.0° |
| C1 | CA1 | N1 | HN1 | 180.0° | 60.0° |
| C1 | CA1 | N1 | HN1A | 60.0° | 63.9° |
| C1 | CA1 | CB1 | HA1 | 110.9° | 119.9° |
| C1 | CA1 | CB1 | CG1 | 95.2° | 175.0° |
| C1 | CA1 | CB1 | HB1 | 24.8° | 55.0° |
| C1 | CA1 | CB1 | HB1A | 144.8° | 65.0° |
| CA1 | C1 | O12 | H18 | 166.4° | 179.7° |
| CA1 | N1 | HN1 | HN1A | 120.0° | 124.0° |
| N1 | CA1 | CB1 | HA1 | 98.3° | 120.1° |
| N1 | CA1 | CB1 | CG1 | 113.9° | 65.0° |
| N1 | CA1 | CB1 | HB1 | 126.1° | 175.0° |
| N1 | CA1 | CB1 | HB1A | 6.0° | 55.0° |
| HN1 | N1 | CA1 | CB1 | 35.7° | 60.0° |
| HN1 | N1 | CA1 | HA1 | 83.0° | 180.0° |
| HN1A | N1 | CA1 | CB1 | 84.3° | 176.1° |
| HN1A | N1 | CA1 | HA1 | 157.0° | 56.0° |
| O2 | C2 | N3 | CA2 | 174.1° | 180.0° |
| O2 | C2 | CA2 | N2 | 109.7° | 0.0° |
| O2 | C2 | N3 | CA3 | 176.9° | 0.0° |
| O2 | C2 | N3 | HN3 | 3.0° | 180.0° |
| O2 | C2 | CA2 | CB2 | 17.7° | 120.0° |
| O2 | C2 | CA2 | HA2 | 131.8° | 120.0° |
| N3 | C2 | CA2 | N2 | 75.7° | 180.0° |
| C2 | N3 | CA3 | HN3 | 180.0° | 180.0° |
| N3 | C2 | CA2 | CB2 | 157.0° | 59.9° |
| N3 | C2 | CA2 | HA2 | 42.8° | 60.0° |
| C2 | N3 | CA3 | CA4 | 1.6° | 180.0° |
| C2 | N3 | CA3 | HA3 | 118.4° | 60.0° |
| C2 | N3 | CA3 | HA3A | 121.5° | 60.0° |
| C2 | CA2 | N2 | CB2 | 131.3° | 120.0° |
| C2 | CA2 | N2 | HA2 | 113.1° | 120.0° |
| C2 | CA2 | N2 | CD1 | 74.5° | 155.0° |
| C2 | CA2 | N2 | HN2 | 105.5° | 25.0° |
| CA2 | C2 | N3 | CA3 | 2.8° | 180.0° |
| CA2 | C2 | N3 | HN3 | 177.2° | 0.0° |
| C2 | CA2 | CB2 | HA2 | 112.2° | 120.0° |
| C2 | CA2 | CB2 | SG2 | 165.0° | 180.0° |
| C2 | CA2 | CB2 | HB2 | 45.0° | 60.0° |
| C2 | CA2 | CB2 | HB2A | 75.0° | 60.0° |
| CA2 | N2 | CD1 | HN2 | 180.0° | 180.0° |
| N2 | CA2 | CB2 | HA2 | 119.0° | 120.0° |
| N2 | CA2 | CB2 | SG2 | 36.2° | 60.0° |
| N2 | CA2 | CB2 | HB2 | 83.8° | 60.0° |
| N2 | CA2 | CB2 | HB2A | 156.2° | 180.0° |
| CA2 | N2 | CD1 | OE1 | 4.7° | 0.0° |
| CA2 | N2 | CD1 | CG1 | 176.7° | 180.0° |
| CD1 | N2 | CA2 | CB2 | 154.1° | 85.0° |
| CD1 | N2 | CA2 | HA2 | 38.5° | 35.0° |
| N2 | CD1 | CG1 | CB1 | 165.5° | 180.0° |
| N2 | CD1 | OE1 | CG1 | 178.5° | 180.0° |
| N2 | CD1 | CG1 | HG1 | 74.5° | 60.0° |
| N2 | CD1 | CG1 | HG1A | 45.5° | 60.0° |
| HN2 | N2 | CA2 | CB2 | 25.8° | 95.0° |
| HN2 | N2 | CA2 | HA2 | 141.4° | 145.0° |
| HN2 | N2 | CD1 | OE1 | 175.3° | 180.0° |
| HN2 | N2 | CD1 | CG1 | 3.3° | 0.0° |
| N3 | CA3 | CA4 | C4 | 161.6° | 180.0° |
| N3 | CA3 | CA4 | HA3 | 120.0° | 120.0° |
| N3 | CA3 | CA4 | HA3A | 120.0° | 120.0° |
| N3 | CA3 | HA3 | HA3A | 111.9° | 120.0° |
| N3 | CA3 | CA4 | HA4 | 41.6° | 60.0° |
| N3 | CA3 | CA4 | HA4A | 78.4° | 60.0° |
| HN3 | N3 | CA3 | CA4 | 178.5° | 0.0° |
| HN3 | N3 | CA3 | HA3 | 61.6° | 120.0° |
| HN3 | N3 | CA3 | HA3A | 58.5° | 120.0° |
| O41 | C4 | O42 | CA4 | 172.1° | 179.9° |
| O41 | C4 | CA4 | CA3 | 38.2° | 179.9° |
| O41 | C4 | CA4 | HA4 | 81.8° | 60.0° |
| O41 | C4 | CA4 | HA4A | 158.2° | 60.0° |
| O42 | C4 | CA4 | CA3 | 135.7° | 0.0° |
| O42 | C4 | CA4 | HA4 | 104.3° | 120.0° |
| O42 | C4 | CA4 | HA4A | 15.7° | 120.0° |
| O42 | C4 | O41 | H19 | 0.0° | 0.1° |
| C4 | CA4 | CA3 | HA4 | 120.0° | 120.0° |
| C4 | CA4 | CA3 | HA4A | 120.0° | 120.0° |
| C4 | CA4 | CA3 | HA3 | 41.6° | 60.0° |
| C4 | CA4 | CA3 | HA3A | 78.4° | 60.0° |
| C4 | CA4 | HA4 | HA4A | 111.5° | 120.0° |
| CA4 | C4 | O41 | H19 | 172.0° | 180.0° |
| CA1 | CB1 | CG1 | HB1 | 120.0° | 120.0° |
| CA1 | CB1 | CG1 | HB1A | 120.0° | 120.0° |
| CA1 | CB1 | HB1 | HB1A | 124.2° | 120.0° |
| CA1 | CB1 | CG1 | CD1 | 159.9° | 180.0° |
| CA1 | CB1 | CG1 | HG1 | 80.1° | 60.0° |
| CA1 | CB1 | CG1 | HG1A | 39.9° | 60.0° |
| HA1 | CA1 | CB1 | CG1 | 15.6° | 55.1° |
| HA1 | CA1 | CB1 | HB1 | 135.6° | 65.0° |
| HA1 | CA1 | CB1 | HB1A | 104.4° | 175.1° |
| CA2 | CB2 | SG2 | HB2 | 120.0° | 120.0° |
| CA2 | CB2 | SG2 | HB2A | 120.0° | 120.0° |
| CA2 | CB2 | HB2 | HB2A | 125.4° | 120.0° |
| CA2 | CB2 | SG2 | HSG2 | 180.0° | 180.0° |
| HA2 | CA2 | CB2 | SG2 | 82.8° | 60.0° |
| HA2 | CA2 | CB2 | HB2 | 157.2° | 180.0° |
| HA2 | CA2 | CB2 | HB2A | 37.2° | 60.0° |
| CA4 | CA3 | HA3 | HA3A | 111.9° | 120.0° |
| CA3 | CA4 | HA4 | HA4A | 111.5° | 119.9° |
| HA3 | CA3 | CA4 | HA4 | 78.4° | 60.0° |
| HA3 | CA3 | CA4 | HA4A | 161.6° | 180.0° |
| HA3A | CA3 | CA4 | HA4 | 161.6° | 180.0° |
| HA3A | CA3 | CA4 | HA4A | 41.6° | 60.0° |
| CG1 | CB1 | HB1 | HB1A | 124.2° | 120.0° |
| CB1 | CG1 | CD1 | OE1 | 15.6° | 0.0° |
| CB1 | CG1 | CD1 | HG1 | 120.0° | 120.0° |
| CB1 | CG1 | CD1 | HG1A | 120.0° | 120.0° |
| CB1 | CG1 | HG1 | HG1A | 116.4° | 120.0° |
| HB1 | CB1 | CG1 | CD1 | 39.9° | 60.0° |
| HB1 | CB1 | CG1 | HG1 | 159.9° | NaN° |
| HB1 | CB1 | CG1 | HG1A | 80.1° | 60.0° |
| HB1A | CB1 | CG1 | CD1 | 80.1° | 60.0° |
| HB1A | CB1 | CG1 | HG1 | 39.9° | 60.0° |
| HB1A | CB1 | CG1 | HG1A | 159.9° | 180.0° |
| SG2 | CB2 | HB2 | HB2A | 125.4° | 120.0° |
| HB2 | CB2 | SG2 | HSG2 | 60.0° | 60.0° |
| HB2A | CB2 | SG2 | HSG2 | 60.0° | 60.0° |
| OE1 | CD1 | CG1 | HG1 | 104.4° | 120.0° |
| OE1 | CD1 | CG1 | HG1A | 135.7° | 120.1° |
| CD1 | CG1 | HG1 | HG1A | 116.4° | 119.9° |
