720
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.46Å | 1.46Å | |
| N | HN1 | sing | 1.00Å | 1.02Å | |
| N | HN2 | sing | 1.00Å | 1.02Å | |
| CA | CH | sing | 1.53Å | 1.54Å | |
| CA | HAC1 | sing | 1.10Å | 1.11Å | |
| CA | HAC2 | sing | 1.10Å | 1.12Å | |
| CG | N2 | doub | 1.31Å | 1.24Å | Aromatic |
| CG | N1 | sing | 1.37Å | 1.28Å | Aromatic |
| CG | HG | sing | 1.08Å | 1.10Å | |
| CE1 | CZ | sing | 1.52Å | 1.54Å | |
| CE1 | HE11 | sing | 1.09Å | 1.11Å | |
| CE1 | HE12 | sing | 1.09Å | 1.11Å | |
| CE1 | HE13 | sing | 1.09Å | 1.12Å | |
| CE2 | CZ | sing | 1.53Å | 1.52Å | |
| CE2 | N1 | sing | 1.44Å | 1.45Å | |
| CE2 | HE21 | sing | 1.10Å | 1.11Å | |
| CE2 | HE22 | sing | 1.10Å | 1.12Å | |
| CZ | HZC1 | sing | 1.10Å | 1.11Å | |
| CZ | HZC2 | sing | 1.10Å | 1.11Å | |
| CH | CM | sing | 1.53Å | 1.55Å | |
| CH | HHC1 | sing | 1.10Å | 1.12Å | |
| CH | HHC2 | sing | 1.10Å | 1.12Å | |
| CM | CA2 | sing | 1.54Å | 1.54Å | |
| CM | HMC1 | sing | 1.10Å | 1.11Å | |
| CM | HMC2 | sing | 1.10Å | 1.12Å | |
| CA2 | CB2 | sing | 1.54Å | 1.55Å | |
| CA2 | C | sing | 1.52Å | 1.49Å | |
| CA2 | HA2 | sing | 1.10Å | 1.11Å | |
| CB2 | CG2 | sing | 1.50Å | 1.50Å | |
| CB2 | HB21 | sing | 1.10Å | 1.12Å | |
| CB2 | HB22 | sing | 1.10Å | 1.11Å | |
| CG2 | CD3 | doub | 1.35Å | 1.33Å | Aromatic |
| CG2 | N2 | sing | 1.36Å | 1.41Å | Aromatic |
| CD3 | N1 | sing | 1.37Å | 1.32Å | Aromatic |
| CD3 | HD3 | sing | 1.08Å | 1.10Å | |
| C | O | doub | 1.23Å | 1.25Å | |
| C | OXT | sing | 1.36Å | 1.26Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | HN1 | 112.0° | 118.1° |
| CA | N | HN2 | 109.9° | 118.2° |
| N | CA | CH | 110.0° | 113.1° |
| N | CA | HAC1 | 112.1° | 109.2° |
| N | CA | HAC2 | 112.0° | 108.3° |
| HN1 | N | HN2 | 112.0° | 122.3° |
| CH | CA | HAC1 | 112.0° | 110.2° |
| CH | CA | HAC2 | 112.0° | 109.0° |
| CA | CH | CM | 109.8° | 113.4° |
| CA | CH | HHC1 | 112.1° | 108.1° |
| CA | CH | HHC2 | 112.1° | 109.4° |
| HAC1 | CA | HAC2 | 98.4° | 106.8° |
| N2 | CG | N1 | 103.3° | 111.8° |
| N2 | CG | HG | 127.2° | 125.7° |
| CG | N2 | CG2 | 116.9° | 103.6° |
| N1 | CG | HG | 129.5° | 122.5° |
| CG | N1 | CE2 | 120.5° | 126.2° |
| CG | N1 | CD3 | 112.0° | 107.5° |
| CZ | CE1 | HE11 | 111.6° | 111.0° |
| CZ | CE1 | HE12 | 111.6° | 110.3° |
| CZ | CE1 | HE13 | 111.1° | 110.9° |
| CE1 | CZ | CE2 | 111.1° | 111.4° |
| CE1 | CZ | HZC1 | 111.6° | 109.2° |
| CE1 | CZ | HZC2 | 111.6° | 109.2° |
| HE11 | CE1 | HE12 | 98.8° | 108.1° |
| HE11 | CE1 | HE13 | 111.6° | 108.3° |
| HE12 | CE1 | HE13 | 111.6° | 108.1° |
| CZ | CE2 | N1 | 115.4° | 112.1° |
| CZ | CE2 | HE21 | 110.0° | 111.1° |
| CZ | CE2 | HE22 | 110.1° | 111.1° |
| CE2 | CZ | HZC1 | 111.6° | 110.1° |
| CE2 | CZ | HZC2 | 111.6° | 110.1° |
| N1 | CE2 | HE21 | 110.1° | 107.6° |
| N1 | CE2 | HE22 | 110.1° | 107.6° |
| CE2 | N1 | CD3 | 127.4° | 126.3° |
| HE21 | CE2 | HE22 | 100.2° | 107.1° |
| HZC1 | CZ | HZC2 | 98.8° | 106.7° |
| CM | CH | HHC1 | 112.1° | 109.0° |
| CM | CH | HHC2 | 112.1° | 110.2° |
| CH | CM | CA2 | 110.6° | 112.4° |
| CH | CM | HMC1 | 111.8° | 110.0° |
| CH | CM | HMC2 | 111.8° | 108.6° |
| HHC1 | CH | HHC2 | 98.3° | 106.6° |
| CA2 | CM | HMC1 | 111.8° | 109.8° |
| CA2 | CM | HMC2 | 111.8° | 109.0° |
| CM | CA2 | CB2 | 109.1° | 110.3° |
| CM | CA2 | C | 116.0° | 110.0° |
| CM | CA2 | HA2 | 105.1° | 107.6° |
| HMC1 | CM | HMC2 | 98.6° | 106.9° |
| CB2 | CA2 | C | 109.4° | 109.5° |
| CB2 | CA2 | HA2 | 112.3° | 109.8° |
| CA2 | CB2 | CG2 | 108.7° | 113.4° |
| CA2 | CB2 | HB21 | 112.5° | 110.0° |
| CA2 | CB2 | HB22 | 112.5° | 109.5° |
| C | CA2 | HA2 | 104.8° | 109.5° |
| CA2 | C | O | 119.0° | 124.5° |
| CA2 | C | OXT | 118.8° | 112.7° |
| CG2 | CB2 | HB21 | 112.5° | 109.8° |
| CG2 | CB2 | HB22 | 112.5° | 108.2° |
| CB2 | CG2 | CD3 | 132.1° | 127.1° |
| CB2 | CG2 | N2 | 130.1° | 119.4° |
| HB21 | CB2 | HB22 | 98.0° | 105.7° |
| CD3 | CG2 | N2 | 97.7° | 113.4° |
| CG2 | CD3 | N1 | 110.1° | 103.7° |
| CG2 | CD3 | HD3 | 125.3° | 133.8° |
| N1 | CD3 | HD3 | 124.6° | 122.5° |
| O | C | OXT | 122.1° | 122.9° |
| C | OXT | HXT | 118.8° | 115.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | HN1 | HN2 | 124.1° | 166.0° |
| N | CA | CH | HAC1 | 125.3° | 122.6° |
| N | CA | CH | HAC2 | 125.2° | 120.5° |
| N | CA | HAC1 | HAC2 | 117.9° | 117.0° |
| N | CA | CH | CM | 73.6° | 177.5° |
| N | CA | CH | HHC1 | 161.1° | 56.5° |
| N | CA | CH | HHC2 | 51.6° | 59.1° |
| HN1 | N | CA | CH | 54.7° | 76.7° |
| HN1 | N | CA | HAC1 | 70.5° | 46.4° |
| HN1 | N | CA | HAC2 | 180.0° | 162.4° |
| HN2 | N | CA | CH | 180.0° | 89.8° |
| HN2 | N | CA | HAC1 | 54.7° | 147.1° |
| HN2 | N | CA | HAC2 | 54.8° | 31.0° |
| CH | CA | HAC1 | HAC2 | 117.9° | 118.2° |
| CA | CH | CM | HHC1 | 125.3° | 120.4° |
| CA | CH | CM | HHC2 | 125.3° | 123.0° |
| CA | CH | HHC1 | HHC2 | 118.0° | 117.5° |
| CA | CH | CM | CA2 | 178.1° | 177.3° |
| CA | CH | CM | HMC1 | 52.8° | 60.0° |
| CA | CH | CM | HMC2 | 56.7° | 56.6° |
| HAC1 | CA | CH | CM | 51.7° | 60.0° |
| HAC1 | CA | CH | HHC1 | 73.6° | 179.1° |
| HAC1 | CA | CH | HHC2 | 176.9° | 63.4° |
| HAC2 | CA | CH | CM | 161.2° | 57.0° |
| HAC2 | CA | CH | HHC1 | 35.9° | 64.0° |
| HAC2 | CA | CH | HHC2 | 73.6° | 179.6° |
| N2 | CG | N1 | HG | 180.0° | 180.0° |
| N2 | CG | N1 | CE2 | 175.8° | 180.0° |
| CG | N2 | CG2 | CB2 | 175.8° | 179.9° |
| CG | N2 | CG2 | CD3 | 1.1° | 0.0° |
| N2 | CG | N1 | CD3 | 0.1° | 0.0° |
| CG | N1 | CE2 | CZ | 94.1° | 90.0° |
| CG | N1 | CE2 | CD3 | 175.2° | 180.0° |
| CG | N1 | CE2 | HE21 | 31.2° | 147.6° |
| CG | N1 | CE2 | HE22 | 140.6° | 32.5° |
| CG | N1 | CD3 | CG2 | 0.6° | 0.0° |
| N1 | CG | N2 | CG2 | 0.8° | 0.0° |
| CG | N1 | CD3 | HD3 | 179.4° | 179.9° |
| HG | CG | N1 | CE2 | 4.2° | 0.0° |
| HG | CG | N2 | CG2 | 179.2° | 180.0° |
| HG | CG | N1 | CD3 | 179.9° | 180.0° |
| CZ | CE1 | HE11 | HE12 | 117.5° | 121.1° |
| CZ | CE1 | HE11 | HE13 | 125.0° | 122.0° |
| CZ | CE1 | HE12 | HE13 | 125.0° | 121.4° |
| CE1 | CZ | CE2 | HZC1 | 125.3° | 121.3° |
| CE1 | CZ | CE2 | HZC2 | 125.2° | 121.4° |
| CE1 | CZ | CE2 | N1 | 159.5° | 179.6° |
| CE1 | CZ | CE2 | HE21 | 34.3° | 60.0° |
| CE1 | CZ | CE2 | HE22 | 75.2° | 59.1° |
| CE1 | CZ | HZC1 | HZC2 | 117.5° | 117.9° |
| HE11 | CE1 | HE12 | HE13 | 117.5° | 117.0° |
| HE11 | CE1 | CZ | CE2 | 54.7° | 60.2° |
| HE11 | CE1 | CZ | HZC1 | 180.0° | 61.6° |
| HE11 | CE1 | CZ | HZC2 | 70.5° | 177.9° |
| HE12 | CE1 | CZ | CE2 | 54.7° | 180.0° |
| HE12 | CE1 | CZ | HZC1 | 70.5° | 58.2° |
| HE12 | CE1 | CZ | HZC2 | 180.0° | 58.1° |
| HE13 | CE1 | CZ | CE2 | 180.0° | 60.2° |
| HE13 | CE1 | CZ | HZC1 | 54.7° | 178.0° |
| HE13 | CE1 | CZ | HZC2 | 54.7° | 61.7° |
| CZ | CE2 | N1 | HE21 | 125.2° | 122.4° |
| CZ | CE2 | N1 | HE22 | 125.3° | 122.4° |
| CZ | CE2 | HE21 | HE22 | 115.9° | 121.4° |
| CE2 | CZ | HZC1 | HZC2 | 117.5° | 119.5° |
| CZ | CE2 | N1 | CD3 | 90.7° | 90.0° |
| N1 | CE2 | HE21 | HE22 | 115.9° | 115.5° |
| N1 | CE2 | CZ | HZC1 | 34.3° | 59.2° |
| N1 | CE2 | CZ | HZC2 | 75.2° | 58.2° |
| CE2 | N1 | CD3 | CG2 | 176.2° | 180.0° |
| CE2 | N1 | CD3 | HD3 | 3.8° | 0.1° |
| HE21 | CE2 | CZ | HZC1 | 91.0° | 61.3° |
| HE21 | CE2 | CZ | HZC2 | 159.5° | 178.6° |
| HE21 | CE2 | N1 | CD3 | 144.1° | 32.4° |
| HE22 | CE2 | CZ | HZC1 | 159.5° | 179.7° |
| HE22 | CE2 | CZ | HZC2 | 50.0° | 62.3° |
| HE22 | CE2 | N1 | CD3 | 34.6° | 147.6° |
| CM | CH | HHC1 | HHC2 | 118.0° | 118.9° |
| CH | CM | CA2 | HMC1 | 125.3° | 122.8° |
| CH | CM | CA2 | HMC2 | 125.3° | 120.4° |
| CH | CM | HMC1 | HMC2 | 117.7° | 117.7° |
| CH | CM | CA2 | CB2 | 178.5° | 176.3° |
| CH | CM | CA2 | C | 57.5° | 62.8° |
| CH | CM | CA2 | HA2 | 57.8° | 56.5° |
| HHC1 | CH | CM | CA2 | 56.7° | 57.0° |
| HHC1 | CH | CM | HMC1 | 178.1° | 179.6° |
| HHC1 | CH | CM | HMC2 | 68.6° | 63.7° |
| HHC2 | CH | CM | CA2 | 52.8° | 59.7° |
| HHC2 | CH | CM | HMC1 | 72.5° | 63.0° |
| HHC2 | CH | CM | HMC2 | 178.0° | 179.6° |
| CA2 | CM | HMC1 | HMC2 | 117.7° | 118.1° |
| CM | CA2 | CB2 | C | 127.9° | 121.2° |
| CM | CA2 | CB2 | HA2 | 116.1° | 118.5° |
| CM | CA2 | C | HA2 | 115.4° | 118.1° |
| CM | CA2 | CB2 | CG2 | 165.7° | 178.5° |
| CM | CA2 | CB2 | HB21 | 69.0° | 58.2° |
| CM | CA2 | CB2 | HB22 | 40.4° | 57.5° |
| CM | CA2 | C | O | 64.0° | 61.9° |
| CM | CA2 | C | OXT | 115.7° | 119.1° |
| HMC1 | CM | CA2 | CB2 | 56.3° | 60.9° |
| HMC1 | CM | CA2 | C | 67.8° | 60.0° |
| HMC1 | CM | CA2 | HA2 | 176.9° | 179.2° |
| HMC2 | CM | CA2 | CB2 | 53.2° | 55.9° |
| HMC2 | CM | CA2 | C | 177.2° | 176.8° |
| HMC2 | CM | CA2 | HA2 | 67.5° | 64.0° |
| CB2 | CA2 | C | HA2 | 120.7° | 120.5° |
| CA2 | CB2 | CG2 | HB21 | 125.3° | 123.4° |
| CA2 | CB2 | CG2 | HB22 | 125.3° | 121.7° |
| CA2 | CB2 | HB21 | HB22 | 118.4° | 118.1° |
| CA2 | CB2 | CG2 | CD3 | 43.8° | 90.0° |
| CA2 | CB2 | CG2 | N2 | 140.3° | 90.0° |
| CB2 | CA2 | C | O | 59.9° | 59.5° |
| CB2 | CA2 | C | OXT | 120.4° | 119.5° |
| C | CA2 | CB2 | CG2 | 66.4° | 60.3° |
| C | CA2 | CB2 | HB21 | 58.9° | 63.0° |
| C | CA2 | CB2 | HB22 | 168.3° | 178.7° |
| CA2 | C | O | OXT | 179.7° | 178.9° |
| CA2 | C | OXT | HXT | 180.0° | 179.0° |
| HA2 | CA2 | CB2 | CG2 | 49.5° | 60.0° |
| HA2 | CA2 | CB2 | HB21 | 174.8° | 176.7° |
| HA2 | CA2 | CB2 | HB22 | 75.7° | 61.0° |
| HA2 | CA2 | C | O | 179.4° | 180.0° |
| HA2 | CA2 | C | OXT | 0.3° | 1.0° |
| CG2 | CB2 | HB21 | HB22 | 118.4° | 116.5° |
| CB2 | CG2 | CD3 | N2 | 176.9° | 180.0° |
| CB2 | CG2 | CD3 | N1 | 175.9° | 179.9° |
| CB2 | CG2 | CD3 | HD3 | 4.1° | 0.0° |
| HB21 | CB2 | CG2 | CD3 | 169.1° | 146.5° |
| HB21 | CB2 | CG2 | N2 | 15.0° | 33.4° |
| HB22 | CB2 | CG2 | CD3 | 81.4° | 31.6° |
| HB22 | CB2 | CG2 | N2 | 94.5° | 148.3° |
| CG2 | CD3 | N1 | HD3 | 180.0° | 179.9° |
| N2 | CG2 | CD3 | N1 | 0.9° | 0.0° |
| N2 | CG2 | CD3 | HD3 | 179.1° | 179.9° |
| O | C | OXT | HXT | 0.3° | 0.0° |
