GTS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | CA1 | sing | 1.47Å | 1.45Å | |
| N1 | HN11 | sing | 1.01Å | 1.02Å | |
| N1 | HN12 | sing | 1.01Å | 1.02Å | |
| CA1 | C1 | sing | 1.51Å | 1.53Å | |
| CA1 | CB1 | sing | 1.53Å | 1.53Å | |
| CA1 | HA1 | sing | 1.09Å | 1.12Å | |
| C1 | O11 | doub | 1.21Å | 1.24Å | |
| C1 | O12 | sing | 1.34Å | 1.22Å | |
| O12 | HO2 | sing | 0.97Å | 0.95Å | |
| CB1 | CG1 | sing | 1.53Å | 1.53Å | |
| CB1 | HB11 | sing | 1.09Å | 1.12Å | |
| CB1 | HB12 | sing | 1.09Å | 1.11Å | |
| CG1 | CD1 | sing | 1.51Å | 1.51Å | |
| CG1 | HG11 | sing | 1.09Å | 1.11Å | |
| CG1 | HG12 | sing | 1.09Å | 1.12Å | |
| CD1 | OE1 | doub | 1.21Å | 1.23Å | |
| CD1 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | CA2 | sing | 1.46Å | 1.46Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| CA2 | C2 | sing | 1.51Å | 1.52Å | |
| CA2 | CB2 | sing | 1.53Å | 1.53Å | |
| CA2 | HA2 | sing | 1.09Å | 1.12Å | |
| C2 | O2 | doub | 1.21Å | 1.23Å | |
| C2 | N3 | sing | 1.35Å | 1.34Å | |
| CB2 | SG2 | sing | 1.81Å | 1.81Å | |
| CB2 | HB21 | sing | 1.09Å | 1.12Å | |
| CB2 | HB22 | sing | 1.09Å | 1.11Å | |
| SG2 | O1S | doub | 1.42Å | 1.44Å | |
| SG2 | O2S | doub | 1.42Å | 1.44Å | |
| SG2 | O3S | sing | 1.52Å | 1.45Å | |
| O3S | HOS3 | sing | 0.97Å | 0.95Å | |
| N3 | CA3 | sing | 1.46Å | 1.46Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| CA3 | C3 | sing | 1.51Å | 1.52Å | |
| CA3 | HA31 | sing | 1.09Å | 1.11Å | |
| CA3 | HA32 | sing | 1.09Å | 1.11Å | |
| C3 | O31 | sing | 1.34Å | 1.22Å | |
| C3 | O32 | doub | 1.21Å | 1.23Å | |
| O31 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA1 | N1 | HN11 | 103.0° | 106.7° |
| CA1 | N1 | HN12 | 114.7° | 106.7° |
| N1 | CA1 | C1 | 103.0° | 109.5° |
| N1 | CA1 | CB1 | 111.4° | 109.5° |
| N1 | CA1 | HA1 | 112.8° | 109.5° |
| HN11 | N1 | HN12 | 114.7° | 106.7° |
| C1 | CA1 | CB1 | 110.5° | 109.5° |
| C1 | CA1 | HA1 | 113.6° | 109.4° |
| CA1 | C1 | O11 | 118.7° | 120.0° |
| CA1 | C1 | O12 | 116.4° | 120.0° |
| CB1 | CA1 | HA1 | 105.7° | 109.4° |
| CA1 | CB1 | CG1 | 107.0° | 109.5° |
| CA1 | CB1 | HB11 | 113.1° | 109.4° |
| CA1 | CB1 | HB12 | 113.1° | 109.5° |
| O11 | C1 | O12 | 124.7° | 120.0° |
| C1 | O12 | HO2 | 116.3° | 120.0° |
| CG1 | CB1 | HB11 | 113.2° | 109.4° |
| CG1 | CB1 | HB12 | 113.2° | 109.5° |
| CB1 | CG1 | CD1 | 114.1° | 109.5° |
| CB1 | CG1 | HG11 | 110.5° | 109.4° |
| CB1 | CG1 | HG12 | 110.5° | 109.5° |
| HB11 | CB1 | HB12 | 97.3° | 109.5° |
| CD1 | CG1 | HG11 | 110.6° | 109.4° |
| CD1 | CG1 | HG12 | 110.5° | 109.5° |
| CG1 | CD1 | OE1 | 118.7° | 120.0° |
| CG1 | CD1 | N2 | 117.8° | 120.0° |
| HG11 | CG1 | HG12 | 99.7° | 109.5° |
| OE1 | CD1 | N2 | 123.5° | 120.0° |
| CD1 | N2 | CA2 | 124.9° | 120.0° |
| CD1 | N2 | HN2 | 112.9° | 120.0° |
| CA2 | N2 | HN2 | 122.2° | 120.0° |
| N2 | CA2 | C2 | 110.1° | 109.5° |
| N2 | CA2 | CB2 | 112.9° | 109.5° |
| N2 | CA2 | HA2 | 105.2° | 109.5° |
| C2 | CA2 | CB2 | 104.6° | 109.5° |
| C2 | CA2 | HA2 | 113.5° | 109.5° |
| CA2 | C2 | O2 | 117.8° | 120.0° |
| CA2 | C2 | N3 | 118.8° | 120.0° |
| CB2 | CA2 | HA2 | 110.7° | 109.5° |
| CA2 | CB2 | SG2 | 116.7° | 109.5° |
| CA2 | CB2 | HB21 | 109.5° | 109.5° |
| CA2 | CB2 | HB22 | 109.5° | 109.5° |
| O2 | C2 | N3 | 123.3° | 120.0° |
| C2 | N3 | CA3 | 122.5° | 120.0° |
| C2 | N3 | HN3 | 114.3° | 120.0° |
| SG2 | CB2 | HB21 | 109.6° | 109.5° |
| SG2 | CB2 | HB22 | 109.6° | 109.5° |
| CB2 | SG2 | O1S | 106.9° | 111.6° |
| CB2 | SG2 | O2S | 107.5° | 111.6° |
| CB2 | SG2 | O3S | 112.0° | 103.2° |
| HB21 | CB2 | HB22 | 100.6° | 109.5° |
| O1S | SG2 | O2S | 114.0° | 122.1° |
| O1S | SG2 | O3S | 107.5° | 102.8° |
| O2S | SG2 | O3S | 109.1° | 102.8° |
| SG2 | O3S | HOS3 | 112.0° | 106.8° |
| CA3 | N3 | HN3 | 123.2° | 120.0° |
| N3 | CA3 | C3 | 112.2° | 109.5° |
| N3 | CA3 | HA31 | 111.3° | 109.4° |
| N3 | CA3 | HA32 | 111.2° | 109.5° |
| C3 | CA3 | HA31 | 111.2° | 109.5° |
| C3 | CA3 | HA32 | 111.2° | 109.5° |
| CA3 | C3 | O31 | 118.3° | 120.0° |
| CA3 | C3 | O32 | 120.6° | 120.0° |
| HA31 | CA3 | HA32 | 99.1° | 109.4° |
| O31 | C3 | O32 | 121.1° | 120.0° |
| C3 | O31 | HO3 | 118.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA1 | N1 | HN11 | HN12 | 125.3° | 113.8° |
| N1 | CA1 | C1 | CB1 | 119.0° | 120.1° |
| N1 | CA1 | C1 | HA1 | 122.3° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 122.8° | 120.0° |
| N1 | CA1 | C1 | O11 | 30.3° | 30.0° |
| N1 | CA1 | C1 | O12 | 144.4° | 150.0° |
| N1 | CA1 | CB1 | CG1 | 169.0° | 59.9° |
| N1 | CA1 | CB1 | HB11 | 43.7° | 60.0° |
| N1 | CA1 | CB1 | HB12 | 65.7° | 180.0° |
| HN11 | N1 | CA1 | C1 | 180.0° | 173.9° |
| HN11 | N1 | CA1 | CB1 | 61.6° | 53.7° |
| HN11 | N1 | CA1 | HA1 | 57.1° | 66.2° |
| HN12 | N1 | CA1 | C1 | 54.7° | 60.1° |
| HN12 | N1 | CA1 | CB1 | 63.7° | 60.1° |
| HN12 | N1 | CA1 | HA1 | 177.7° | 180.0° |
| C1 | CA1 | CB1 | HA1 | 123.4° | 119.9° |
| CA1 | C1 | O11 | O12 | 174.3° | 180.0° |
| CA1 | C1 | O12 | HO2 | 180.0° | 180.0° |
| C1 | CA1 | CB1 | CG1 | 77.1° | 180.0° |
| C1 | CA1 | CB1 | HB11 | 157.6° | 60.1° |
| C1 | CA1 | CB1 | HB12 | 48.2° | 59.9° |
| CB1 | CA1 | C1 | O11 | 88.7° | 90.1° |
| CB1 | CA1 | C1 | O12 | 96.5° | 89.9° |
| CA1 | CB1 | CG1 | HB11 | 125.3° | 119.9° |
| CA1 | CB1 | CG1 | HB12 | 125.3° | 120.1° |
| CA1 | CB1 | HB11 | HB12 | 119.0° | 120.0° |
| CA1 | CB1 | CG1 | CD1 | 170.8° | 180.0° |
| CA1 | CB1 | CG1 | HG11 | 63.9° | 60.1° |
| CA1 | CB1 | CG1 | HG12 | 45.5° | 59.9° |
| HA1 | CA1 | C1 | O11 | 152.7° | 150.0° |
| HA1 | CA1 | C1 | O12 | 22.1° | 30.0° |
| HA1 | CA1 | CB1 | CG1 | 46.2° | 60.1° |
| HA1 | CA1 | CB1 | HB11 | 79.1° | 180.0° |
| HA1 | CA1 | CB1 | HB12 | 171.5° | 60.0° |
| O11 | C1 | O12 | HO2 | 5.5° | 0.0° |
| CG1 | CB1 | HB11 | HB12 | 119.1° | 120.0° |
| CB1 | CG1 | CD1 | HG11 | 125.3° | 119.9° |
| CB1 | CG1 | CD1 | HG12 | 125.2° | 120.1° |
| CB1 | CG1 | HG11 | HG12 | 116.3° | 120.0° |
| CB1 | CG1 | CD1 | OE1 | 3.1° | 0.1° |
| CB1 | CG1 | CD1 | N2 | 178.6° | 180.0° |
| HB11 | CB1 | CG1 | CD1 | 45.5° | 60.1° |
| HB11 | CB1 | CG1 | HG11 | 170.8° | NaN° |
| HB11 | CB1 | CG1 | HG12 | 79.7° | 60.0° |
| HB12 | CB1 | CG1 | CD1 | 63.9° | 59.9° |
| HB12 | CB1 | CG1 | HG11 | 61.4° | 60.0° |
| HB12 | CB1 | CG1 | HG12 | 170.8° | 180.0° |
| CD1 | CG1 | HG11 | HG12 | 116.4° | 120.0° |
| CG1 | CD1 | OE1 | N2 | 178.2° | 179.9° |
| CG1 | CD1 | N2 | CA2 | 179.8° | 180.0° |
| CG1 | CD1 | N2 | HN2 | 0.1° | 0.0° |
| HG11 | CG1 | CD1 | OE1 | 122.1° | 120.0° |
| HG11 | CG1 | CD1 | N2 | 56.1° | 60.0° |
| HG12 | CG1 | CD1 | OE1 | 128.4° | 120.0° |
| HG12 | CG1 | CD1 | N2 | 53.3° | 59.9° |
| OE1 | CD1 | N2 | CA2 | 2.0° | 0.1° |
| OE1 | CD1 | N2 | HN2 | 178.1° | 179.9° |
| CD1 | N2 | CA2 | HN2 | 179.9° | 180.0° |
| CD1 | N2 | CA2 | C2 | 130.4° | 150.0° |
| CD1 | N2 | CA2 | CB2 | 113.0° | 90.0° |
| CD1 | N2 | CA2 | HA2 | 7.8° | 30.0° |
| N2 | CA2 | C2 | CB2 | 121.6° | 120.0° |
| N2 | CA2 | C2 | HA2 | 117.6° | 120.0° |
| N2 | CA2 | CB2 | HA2 | 117.7° | 120.0° |
| N2 | CA2 | C2 | O2 | 34.4° | 0.0° |
| N2 | CA2 | C2 | N3 | 147.7° | 180.0° |
| N2 | CA2 | CB2 | SG2 | 67.6° | 60.0° |
| N2 | CA2 | CB2 | HB21 | 57.6° | 60.0° |
| N2 | CA2 | CB2 | HB22 | 167.2° | 180.0° |
| HN2 | N2 | CA2 | C2 | 49.5° | 30.0° |
| HN2 | N2 | CA2 | CB2 | 67.0° | 90.0° |
| HN2 | N2 | CA2 | HA2 | 172.1° | 150.0° |
| C2 | CA2 | CB2 | HA2 | 122.6° | 120.0° |
| CA2 | C2 | O2 | N3 | 177.8° | 179.9° |
| C2 | CA2 | CB2 | SG2 | 172.6° | 180.0° |
| C2 | CA2 | CB2 | HB21 | 62.1° | 60.0° |
| C2 | CA2 | CB2 | HB22 | 47.4° | 60.0° |
| CA2 | C2 | N3 | CA3 | 173.1° | 180.0° |
| CA2 | C2 | N3 | HN3 | 6.9° | 0.1° |
| CB2 | CA2 | C2 | O2 | 87.2° | 120.0° |
| CB2 | CA2 | C2 | N3 | 90.7° | 60.0° |
| CA2 | CB2 | SG2 | HB21 | 125.2° | 120.0° |
| CA2 | CB2 | SG2 | HB22 | 125.2° | 120.0° |
| CA2 | CB2 | HB21 | HB22 | 115.3° | 120.0° |
| CA2 | CB2 | SG2 | O1S | 64.9° | 70.3° |
| CA2 | CB2 | SG2 | O2S | 172.3° | 70.3° |
| CA2 | CB2 | SG2 | O3S | 52.6° | 180.0° |
| HA2 | CA2 | C2 | O2 | 152.0° | 120.0° |
| HA2 | CA2 | C2 | N3 | 30.0° | 60.0° |
| HA2 | CA2 | CB2 | SG2 | 50.1° | 60.0° |
| HA2 | CA2 | CB2 | HB21 | 175.3° | 180.0° |
| HA2 | CA2 | CB2 | HB22 | 75.2° | 60.0° |
| O2 | C2 | N3 | CA3 | 4.7° | 0.1° |
| O2 | C2 | N3 | HN3 | 175.2° | 180.0° |
| C2 | N3 | CA3 | HN3 | 180.0° | 179.9° |
| C2 | N3 | CA3 | C3 | 109.9° | 180.0° |
| C2 | N3 | CA3 | HA31 | 124.9° | 60.0° |
| C2 | N3 | CA3 | HA32 | 15.4° | 59.8° |
| SG2 | CB2 | HB21 | HB22 | 115.4° | 120.0° |
| CB2 | SG2 | O1S | O2S | 118.6° | 135.7° |
| CB2 | SG2 | O1S | O3S | 120.4° | 109.9° |
| CB2 | SG2 | O2S | O3S | 121.6° | 110.0° |
| CB2 | SG2 | O3S | HOS3 | 179.9° | 180.0° |
| HB21 | CB2 | SG2 | O1S | 60.3° | 169.7° |
| HB21 | CB2 | SG2 | O2S | 62.4° | 49.7° |
| HB21 | CB2 | SG2 | O3S | 177.8° | 60.0° |
| HB22 | CB2 | SG2 | O1S | 169.9° | 49.7° |
| HB22 | CB2 | SG2 | O2S | 47.1° | 169.7° |
| HB22 | CB2 | SG2 | O3S | 72.6° | 60.0° |
| O1S | SG2 | O2S | O3S | 120.1° | 114.3° |
| O1S | SG2 | O3S | HOS3 | 62.8° | 63.8° |
| O2S | SG2 | O3S | HOS3 | 61.3° | 63.8° |
| N3 | CA3 | C3 | HA31 | 125.3° | 120.0° |
| N3 | CA3 | C3 | HA32 | 125.3° | 120.1° |
| N3 | CA3 | HA31 | HA32 | 117.1° | 120.0° |
| N3 | CA3 | C3 | O31 | 177.5° | 180.0° |
| N3 | CA3 | C3 | O32 | 4.2° | 0.0° |
| HN3 | N3 | CA3 | C3 | 70.1° | 0.1° |
| HN3 | N3 | CA3 | HA31 | 55.2° | 120.0° |
| HN3 | N3 | CA3 | HA32 | 164.7° | 120.1° |
| C3 | CA3 | HA31 | HA32 | 117.1° | 120.0° |
| CA3 | C3 | O31 | O32 | 178.3° | 180.0° |
| CA3 | C3 | O31 | HO3 | 180.0° | 180.0° |
| HA31 | CA3 | C3 | O31 | 52.2° | 60.0° |
| HA31 | CA3 | C3 | O32 | 129.5° | 120.0° |
| HA32 | CA3 | C3 | O31 | 57.2° | 59.9° |
| HA32 | CA3 | C3 | O32 | 121.1° | 120.1° |
| O32 | C3 | O31 | HO3 | 1.7° | 0.0° |
