SWG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD2 | CE3 | sing | 1.39Å | 1.42Å | Aromatic |
| CD2 | CE2 | doub | 1.40Å | 1.39Å | Aromatic |
| CD2 | CG | sing | 1.48Å | 1.47Å | Aromatic |
| CE3 | CZ3 | doub | 1.38Å | 1.39Å | Aromatic |
| CZ3 | CH2 | sing | 1.39Å | 1.42Å | Aromatic |
| CH2 | CZ2 | doub | 1.38Å | 1.41Å | Aromatic |
| CZ2 | CE2 | sing | 1.39Å | 1.40Å | Aromatic |
| CE2 | NE1 | sing | 1.38Å | 1.36Å | Aromatic |
| NE1 | CD1 | sing | 1.35Å | 1.37Å | Aromatic |
| CD1 | CG | doub | 1.38Å | 1.35Å | Aromatic |
| CG | CB2 | sing | 1.41Å | 1.51Å | |
| CB2 | CA2 | doub | 1.38Å | 1.40Å | |
| CA2 | N2 | sing | 1.37Å | 1.37Å | |
| CA2 | C2 | sing | 1.47Å | 1.46Å | |
| N2 | C1 | doub | 1.30Å | 1.37Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| C2 | N3 | sing | 1.35Å | 1.32Å | |
| N3 | CA3 | sing | 1.47Å | 1.47Å | |
| N3 | C1 | sing | 1.37Å | 1.34Å | |
| CA3 | C3 | sing | 1.51Å | 1.46Å | |
| C3 | O3 | doub | 1.21Å | 1.23Å | |
| C3 | OXT | sing | 1.34Å | 1.37Å | |
| C1 | CA1 | sing | 1.51Å | 1.48Å | |
| CA1 | N1 | sing | 1.47Å | 1.48Å | |
| CA1 | CB1 | sing | 1.53Å | 1.50Å | |
| CB1 | OG1 | sing | 1.43Å | 1.43Å | |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| CZ3 | HZ3 | sing | 1.08Å | 1.08Å | |
| CH2 | HH2 | sing | 1.08Å | 1.08Å | |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| NE1 | HE1 | sing | 0.97Å | 1.00Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CB2 | HB2 | sing | 1.08Å | 1.08Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| N1 | H | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| CB1 | HB11 | sing | 1.09Å | 1.10Å | |
| CB1 | HB12 | sing | 1.09Å | 1.10Å | |
| OG1 | HG1 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CE3 | CD2 | CE2 | 120.1° | 120.1° |
| CE3 | CD2 | CG | 133.7° | 133.9° |
| CD2 | CE3 | CZ3 | 121.1° | 119.7° |
| CD2 | CE3 | HE3 | 119.4° | 120.2° |
| CE2 | CD2 | CG | 106.2° | 106.0° |
| CD2 | CE2 | CZ2 | 121.0° | 119.3° |
| CD2 | CE2 | NE1 | 108.4° | 107.7° |
| CD2 | CG | CD1 | 105.9° | 106.2° |
| CD2 | CG | CB2 | 124.4° | 126.9° |
| CE3 | CZ3 | CH2 | 117.0° | 120.2° |
| CZ3 | CE3 | HE3 | 119.4° | 120.1° |
| CE3 | CZ3 | HZ3 | 121.5° | 119.9° |
| CZ3 | CH2 | CZ2 | 123.1° | 120.7° |
| CH2 | CZ3 | HZ3 | 121.5° | 119.9° |
| CZ3 | CH2 | HH2 | 118.5° | 119.7° |
| CH2 | CZ2 | CE2 | 117.8° | 120.0° |
| CZ2 | CH2 | HH2 | 118.4° | 119.6° |
| CH2 | CZ2 | HZ2 | 121.1° | 120.0° |
| CZ2 | CE2 | NE1 | 130.7° | 133.0° |
| CE2 | CZ2 | HZ2 | 121.1° | 120.0° |
| CE2 | NE1 | CD1 | 109.3° | 110.7° |
| CE2 | NE1 | HE1 | 125.4° | 124.7° |
| NE1 | CD1 | CG | 110.2° | 109.5° |
| CD1 | NE1 | HE1 | 125.4° | 124.7° |
| NE1 | CD1 | HD1 | 124.9° | 125.3° |
| CD1 | CG | CB2 | 129.7° | 126.9° |
| CG | CD1 | HD1 | 124.9° | 125.3° |
| CG | CB2 | CA2 | 119.0° | 120.1° |
| CG | CB2 | HB2 | 120.5° | 120.0° |
| CB2 | CA2 | N2 | 125.3° | 127.0° |
| CB2 | CA2 | C2 | 124.4° | 127.1° |
| CA2 | CB2 | HB2 | 120.5° | 120.0° |
| N2 | CA2 | C2 | 110.3° | 105.8° |
| CA2 | N2 | C1 | 103.3° | 109.3° |
| CA2 | C2 | O2 | 129.5° | 127.3° |
| CA2 | C2 | N3 | 103.5° | 105.3° |
| N2 | C1 | N3 | 111.5° | 111.2° |
| N2 | C1 | CA1 | 121.5° | 124.4° |
| O2 | C2 | N3 | 127.0° | 127.3° |
| C2 | N3 | CA3 | 120.7° | 125.8° |
| C2 | N3 | C1 | 111.3° | 108.4° |
| CA3 | N3 | C1 | 128.0° | 125.8° |
| N3 | CA3 | C3 | 126.5° | 109.5° |
| N3 | CA3 | HA31 | 104.1° | 109.5° |
| N3 | CA3 | HA32 | 100.2° | 109.5° |
| N3 | C1 | CA1 | 127.0° | 124.4° |
| CA3 | C3 | O3 | 122.8° | 120.0° |
| CA3 | C3 | OXT | 111.3° | 120.0° |
| C3 | CA3 | HA31 | 104.2° | 109.5° |
| C3 | CA3 | HA32 | 100.2° | 109.5° |
| O3 | C3 | OXT | 125.7° | 120.0° |
| C3 | OXT | HXT | 109.5° | 117.0° |
| C1 | CA1 | N1 | 103.5° | 109.5° |
| C1 | CA1 | CB1 | 117.7° | 109.5° |
| C1 | CA1 | HA1 | 106.9° | 109.5° |
| N1 | CA1 | CB1 | 105.4° | 109.5° |
| N1 | CA1 | HA1 | 119.0° | 109.5° |
| CA1 | N1 | H | 109.5° | 111.0° |
| CA1 | N1 | H2 | 109.5° | 111.0° |
| CA1 | CB1 | OG1 | 105.5° | 109.5° |
| CB1 | CA1 | HA1 | 105.1° | 109.4° |
| CA1 | CB1 | HB11 | 110.8° | 109.4° |
| CA1 | CB1 | HB12 | 111.7° | 109.5° |
| OG1 | CB1 | HB11 | 110.8° | 109.5° |
| OG1 | CB1 | HB12 | 111.7° | 109.5° |
| CB1 | OG1 | HG1 | 109.5° | 114.0° |
| HA31 | CA3 | HA32 | 124.1° | 109.5° |
| H | N1 | H2 | 109.4° | 111.0° |
| HB11 | CB1 | HB12 | 106.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CE3 | CD2 | CE2 | CG | 180.0° | 179.7° |
| CD2 | CE3 | CZ3 | HE3 | 180.0° | 179.9° |
| CD2 | CE3 | CZ3 | CH2 | 0.0° | 0.0° |
| CE3 | CD2 | CE2 | CZ2 | 0.0° | 0.0° |
| CE3 | CD2 | CE2 | NE1 | 180.0° | 179.9° |
| CE3 | CD2 | CG | CD1 | 180.0° | 179.9° |
| CE3 | CD2 | CG | CB2 | 0.0° | 0.1° |
| CD2 | CE3 | CZ3 | HZ3 | 180.0° | 180.0° |
| CE2 | CD2 | CE3 | CZ3 | 0.0° | 0.0° |
| CD2 | CE2 | CZ2 | CH2 | 0.0° | 0.0° |
| CD2 | CE2 | CZ2 | NE1 | 180.0° | 179.9° |
| CD2 | CE2 | NE1 | CD1 | 0.0° | 0.1° |
| CE2 | CD2 | CG | CD1 | 0.0° | 0.4° |
| CE2 | CD2 | CG | CB2 | 180.0° | 179.7° |
| CE2 | CD2 | CE3 | HE3 | 180.0° | 180.0° |
| CD2 | CE2 | CZ2 | HZ2 | 180.0° | 180.0° |
| CD2 | CE2 | NE1 | HE1 | 180.0° | 179.9° |
| CG | CD2 | CE3 | CZ3 | 180.0° | 179.7° |
| CG | CD2 | CE2 | CZ2 | 180.0° | 179.8° |
| CG | CD2 | CE2 | NE1 | 0.0° | 0.2° |
| CD2 | CG | CD1 | NE1 | 0.0° | 0.4° |
| CD2 | CG | CD1 | CB2 | 180.0° | 179.9° |
| CD2 | CG | CB2 | CA2 | 175.2° | 180.0° |
| CG | CD2 | CE3 | HE3 | 0.0° | 0.4° |
| CD2 | CG | CD1 | HD1 | 180.0° | 179.9° |
| CD2 | CG | CB2 | HB2 | 4.7° | 0.0° |
| CE3 | CZ3 | CH2 | HZ3 | 180.0° | 180.0° |
| CE3 | CZ3 | CH2 | CZ2 | 0.0° | 0.0° |
| CE3 | CZ3 | CH2 | HH2 | 180.0° | 180.0° |
| CZ3 | CH2 | CZ2 | HH2 | 180.0° | 179.9° |
| CZ3 | CH2 | CZ2 | CE2 | 0.0° | 0.0° |
| CH2 | CZ3 | CE3 | HE3 | 180.0° | 180.0° |
| CZ3 | CH2 | CZ2 | HZ2 | 180.0° | 180.0° |
| CH2 | CZ2 | CE2 | HZ2 | 180.0° | 180.0° |
| CH2 | CZ2 | CE2 | NE1 | 180.0° | 179.9° |
| CZ2 | CH2 | CZ3 | HZ3 | 180.0° | 180.0° |
| CZ2 | CE2 | NE1 | CD1 | 180.0° | 180.0° |
| CE2 | CZ2 | CH2 | HH2 | 179.9° | 180.0° |
| CZ2 | CE2 | NE1 | HE1 | 0.0° | 0.1° |
| CE2 | NE1 | CD1 | HE1 | 180.0° | 179.9° |
| CE2 | NE1 | CD1 | CG | 0.0° | 0.3° |
| NE1 | CE2 | CZ2 | HZ2 | 0.0° | 0.1° |
| CE2 | NE1 | CD1 | HD1 | 180.0° | 180.0° |
| NE1 | CD1 | CG | HD1 | 180.0° | 179.7° |
| NE1 | CD1 | CG | CB2 | 180.0° | 179.7° |
| CD1 | CG | CB2 | CA2 | 4.8° | 0.1° |
| CG | CD1 | NE1 | HE1 | 180.0° | 179.8° |
| CD1 | CG | CB2 | HB2 | 175.2° | 179.9° |
| CG | CB2 | CA2 | HB2 | 180.0° | 180.0° |
| CG | CB2 | CA2 | N2 | 5.0° | 0.0° |
| CG | CB2 | CA2 | C2 | 174.9° | 179.7° |
| CB2 | CG | CD1 | HD1 | 0.0° | 0.0° |
| CB2 | CA2 | N2 | C2 | 179.9° | 179.7° |
| CB2 | CA2 | N2 | C1 | 179.9° | 180.0° |
| CB2 | CA2 | C2 | O2 | 0.1° | 0.1° |
| CB2 | CA2 | C2 | N3 | 180.0° | 180.0° |
| N2 | CA2 | C2 | O2 | 180.0° | 179.8° |
| N2 | CA2 | C2 | N3 | 0.1° | 0.3° |
| CA2 | N2 | C1 | N3 | 0.1° | 0.2° |
| CA2 | N2 | C1 | CA1 | 180.0° | 180.0° |
| N2 | CA2 | CB2 | HB2 | 175.0° | 179.9° |
| C2 | CA2 | N2 | C1 | 0.0° | 0.3° |
| CA2 | C2 | O2 | N3 | 179.9° | 179.9° |
| CA2 | C2 | N3 | CA3 | 179.9° | 179.9° |
| CA2 | C2 | N3 | C1 | 0.1° | 0.2° |
| C2 | CA2 | CB2 | HB2 | 5.1° | 0.3° |
| N2 | C1 | N3 | C2 | 0.1° | 0.0° |
| N2 | C1 | N3 | CA3 | 180.0° | 179.9° |
| N2 | C1 | N3 | CA1 | 179.9° | 179.9° |
| N2 | C1 | CA1 | N1 | 100.3° | 35.0° |
| N2 | C1 | CA1 | CB1 | 15.4° | 85.1° |
| N2 | C1 | CA1 | HA1 | 133.2° | 155.0° |
| O2 | C2 | N3 | CA3 | 0.1° | 0.0° |
| O2 | C2 | N3 | C1 | 180.0° | 179.9° |
| C2 | N3 | CA3 | C1 | 179.8° | 179.9° |
| C2 | N3 | CA3 | C3 | 87.3° | 90.0° |
| C2 | N3 | C1 | CA1 | 179.9° | 179.9° |
| C2 | N3 | CA3 | HA31 | 32.7° | 150.0° |
| C2 | N3 | CA3 | HA32 | 161.9° | 30.0° |
| N3 | CA3 | C3 | HA31 | 120.0° | 120.0° |
| N3 | CA3 | C3 | HA32 | 110.8° | 120.0° |
| N3 | CA3 | C3 | O3 | 152.5° | 0.0° |
| N3 | CA3 | C3 | OXT | 23.1° | 180.0° |
| CA3 | N3 | C1 | CA1 | 0.1° | 0.0° |
| N3 | CA3 | HA31 | HA32 | 112.9° | 120.0° |
| C1 | N3 | CA3 | C3 | 92.9° | 90.2° |
| N3 | C1 | CA1 | N1 | 79.8° | 145.2° |
| N3 | C1 | CA1 | CB1 | 164.5° | 94.8° |
| C1 | N3 | CA3 | HA31 | 147.1° | 29.8° |
| C1 | N3 | CA3 | HA32 | 17.9° | 149.8° |
| N3 | C1 | CA1 | HA1 | 46.7° | 25.2° |
| CA3 | C3 | O3 | OXT | 175.0° | 179.9° |
| C3 | CA3 | HA31 | HA32 | 113.0° | 120.0° |
| CA3 | C3 | OXT | HXT | 175.5° | 180.0° |
| O3 | C3 | CA3 | HA31 | 32.5° | 120.0° |
| O3 | C3 | CA3 | HA32 | 96.7° | 120.0° |
| O3 | C3 | OXT | HXT | 0.0° | 0.1° |
| OXT | C3 | CA3 | HA31 | 143.1° | 60.0° |
| OXT | C3 | CA3 | HA32 | 87.7° | 60.0° |
| C1 | CA1 | N1 | CB1 | 124.2° | 120.0° |
| C1 | CA1 | N1 | HA1 | 118.4° | 120.0° |
| C1 | CA1 | CB1 | HA1 | 118.8° | 120.0° |
| C1 | CA1 | CB1 | OG1 | 70.1° | 175.0° |
| C1 | CA1 | N1 | H | 28.6° | 63.9° |
| C1 | CA1 | N1 | H2 | 91.4° | 60.0° |
| C1 | CA1 | CB1 | HB11 | 169.8° | 65.0° |
| C1 | CA1 | CB1 | HB12 | 51.4° | 55.0° |
| N1 | CA1 | CB1 | HA1 | 126.5° | 120.0° |
| N1 | CA1 | CB1 | OG1 | 175.2° | 65.0° |
| CA1 | N1 | H | H2 | 120.0° | 123.9° |
| N1 | CA1 | CB1 | HB11 | 55.2° | 55.0° |
| N1 | CA1 | CB1 | HB12 | 63.3° | 175.0° |
| CA1 | CB1 | OG1 | HB11 | 120.0° | 120.0° |
| CA1 | CB1 | OG1 | HB12 | 121.5° | 120.0° |
| CB1 | CA1 | N1 | H | 152.7° | 176.0° |
| CB1 | CA1 | N1 | H2 | 32.8° | 60.0° |
| CA1 | CB1 | HB11 | HB12 | 121.6° | 120.0° |
| CA1 | CB1 | OG1 | HG1 | 153.2° | 180.0° |
| OG1 | CB1 | CA1 | HA1 | 48.7° | 55.0° |
| OG1 | CB1 | HB11 | HB12 | 121.6° | 120.0° |
| HE3 | CE3 | CZ3 | HZ3 | 0.0° | 0.0° |
| HZ3 | CZ3 | CH2 | HH2 | 0.0° | 0.0° |
| HH2 | CH2 | CZ2 | HZ2 | 0.0° | 0.1° |
| HE1 | NE1 | CD1 | HD1 | 0.0° | 0.1° |
| HA1 | CA1 | N1 | H | 89.8° | 56.1° |
| HA1 | CA1 | N1 | H2 | 150.2° | 180.0° |
| HA1 | CA1 | CB1 | HB11 | 71.3° | 175.0° |
| HA1 | CA1 | CB1 | HB12 | 170.2° | 65.0° |
| HB11 | CB1 | OG1 | HG1 | 33.2° | 60.0° |
| HB12 | CB1 | OG1 | HG1 | 85.3° | 60.0° |
