CJO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA1 | N1 | sing | 1.47Å | 1.49Å | |
| N1 | H | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | CA1 | sing | 1.53Å | 1.51Å | |
| CA1 | CB1 | sing | 1.53Å | 1.52Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CB1 | OG1 | sing | 1.43Å | 1.41Å | |
| CB1 | CG1 | sing | 1.53Å | 1.45Å | |
| CB1 | HB1 | sing | 1.09Å | 1.10Å | |
| CG1 | HG1 | sing | 1.09Å | 1.10Å | |
| CG1 | HG1A | sing | 1.09Å | 1.10Å | |
| CG1 | HG1B | sing | 1.09Å | 1.10Å | |
| OG1 | HOG1 | sing | 0.97Å | 0.95Å | |
| N3 | C1 | sing | 1.47Å | 1.31Å | |
| C1 | N2 | sing | 1.48Å | 1.36Å | |
| CA2 | N2 | sing | 1.48Å | 1.39Å | |
| C2 | N3 | sing | 1.35Å | 1.37Å | |
| CA3 | N3 | sing | 1.46Å | 1.43Å | |
| O2 | C2 | doub | 1.21Å | 1.20Å | |
| C2 | CA2 | sing | 1.51Å | 1.32Å | |
| CB2 | CA2 | sing | 1.53Å | 1.39Å | |
| CA2 | HA2 | sing | 1.09Å | 1.10Å | |
| CA3 | C3 | sing | 1.51Å | 1.56Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| O3 | C3 | doub | 1.21Å | 1.28Å | |
| C3 | OXT | sing | 1.34Å | 1.28Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CB2 | CG2 | sing | 1.51Å | 1.37Å | |
| CB2 | HB2 | sing | 1.09Å | 1.10Å | |
| CB2 | HB2A | sing | 1.09Å | 1.10Å | |
| CD2 | CG2 | doub | 1.38Å | 1.39Å | Aromatic |
| CG2 | CD1 | sing | 1.38Å | 1.38Å | Aromatic |
| CD1 | CE1 | doub | 1.38Å | 1.40Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | sing | 1.38Å | 1.39Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CZ | CE1 | sing | 1.39Å | 1.38Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | doub | 1.39Å | 1.38Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | OH | sing | 1.36Å | 1.37Å | |
| OH | HOH | sing | 0.97Å | 0.95Å | |
| C1 | HC1 | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA1 | N1 | H | 109.5° | 111.0° |
| CA1 | N1 | H2 | 109.5° | 111.0° |
| N1 | CA1 | C1 | 104.0° | 109.5° |
| N1 | CA1 | CB1 | 112.0° | 109.5° |
| N1 | CA1 | HA1 | 113.5° | 109.5° |
| H | N1 | H2 | 109.5° | 111.0° |
| C1 | CA1 | CB1 | 115.0° | 109.5° |
| C1 | CA1 | HA1 | 110.4° | 109.5° |
| CA1 | C1 | N3 | 125.5° | 110.1° |
| CA1 | C1 | N2 | 126.1° | 110.1° |
| CA1 | C1 | HC1 | 2.3° | 110.1° |
| CB1 | CA1 | HA1 | 102.3° | 109.4° |
| CA1 | CB1 | OG1 | 109.4° | 109.5° |
| CA1 | CB1 | CG1 | 112.2° | 109.5° |
| CA1 | CB1 | HB1 | 110.7° | 109.5° |
| OG1 | CB1 | CG1 | 117.1° | 109.4° |
| OG1 | CB1 | HB1 | 105.0° | 109.5° |
| CB1 | OG1 | HOG1 | 109.5° | 114.0° |
| CG1 | CB1 | HB1 | 101.7° | 109.5° |
| CB1 | CG1 | HG1 | 109.5° | 109.5° |
| CB1 | CG1 | HG1A | 109.4° | 109.5° |
| CB1 | CG1 | HG1B | 109.5° | 109.4° |
| HG1 | CG1 | HG1A | 109.4° | 109.5° |
| HG1 | CG1 | HG1B | 109.5° | 109.5° |
| HG1A | CG1 | HG1B | 109.5° | 109.4° |
| N3 | C1 | N2 | 108.4° | 106.2° |
| C1 | N3 | C2 | 111.9° | 109.6° |
| C1 | N3 | CA3 | 125.5° | 125.2° |
| N3 | C1 | HC1 | 127.7° | 110.1° |
| C1 | N2 | CA2 | 103.9° | 103.1° |
| N2 | C1 | HC1 | 123.9° | 110.1° |
| C1 | N2 | HN2 | 111.4° | 111.0° |
| N2 | CA2 | C2 | 112.5° | 104.7° |
| N2 | CA2 | CB2 | 109.4° | 110.4° |
| N2 | CA2 | HA2 | 120.6° | 110.4° |
| CA2 | N2 | HN2 | 111.4° | 111.0° |
| C2 | N3 | CA3 | 122.6° | 125.2° |
| N3 | C2 | O2 | 124.8° | 125.8° |
| N3 | C2 | CA2 | 103.3° | 108.5° |
| N3 | CA3 | C3 | 102.3° | 109.4° |
| N3 | CA3 | HA31 | 112.0° | 109.5° |
| N3 | CA3 | HA32 | 113.5° | 109.5° |
| O2 | C2 | CA2 | 131.9° | 125.7° |
| C2 | CA2 | CB2 | 128.9° | 110.4° |
| C2 | CA2 | HA2 | 88.9° | 110.4° |
| CB2 | CA2 | HA2 | 94.1° | 110.5° |
| CA2 | CB2 | CG2 | 134.0° | 109.5° |
| CA2 | CB2 | HB2 | 102.0° | 109.5° |
| CA2 | CB2 | HB2A | 96.4° | 109.5° |
| C3 | CA3 | HA31 | 112.0° | 109.5° |
| C3 | CA3 | HA32 | 113.5° | 109.4° |
| CA3 | C3 | O3 | 120.1° | 120.0° |
| CA3 | C3 | OXT | 119.2° | 120.0° |
| HA31 | CA3 | HA32 | 104.0° | 109.5° |
| O3 | C3 | OXT | 120.7° | 120.0° |
| C3 | OXT | HXT | 109.5° | 117.0° |
| CG2 | CB2 | HB2 | 102.0° | 109.5° |
| CG2 | CB2 | HB2A | 96.3° | 109.4° |
| CB2 | CG2 | CD2 | 118.2° | 119.9° |
| CB2 | CG2 | CD1 | 124.1° | 119.9° |
| HB2 | CB2 | HB2A | 131.4° | 109.4° |
| CD2 | CG2 | CD1 | 117.7° | 120.1° |
| CG2 | CD2 | CE2 | 122.1° | 120.0° |
| CG2 | CD2 | HD2 | 119.0° | 120.0° |
| CG2 | CD1 | CE1 | 121.7° | 120.0° |
| CG2 | CD1 | HD1 | 119.2° | 120.0° |
| CE1 | CD1 | HD1 | 119.1° | 120.0° |
| CD1 | CE1 | CZ | 118.5° | 120.0° |
| CD1 | CE1 | HE1 | 120.8° | 120.0° |
| CE2 | CD2 | HD2 | 118.9° | 120.0° |
| CD2 | CE2 | CZ | 118.7° | 120.0° |
| CD2 | CE2 | HE2 | 120.7° | 120.0° |
| CZ | CE1 | HE1 | 120.8° | 120.0° |
| CE1 | CZ | CE2 | 121.4° | 119.9° |
| CE1 | CZ | OH | 121.5° | 120.1° |
| CZ | CE2 | HE2 | 120.6° | 120.0° |
| CE2 | CZ | OH | 117.0° | 120.1° |
| CZ | OH | HOH | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA1 | N1 | H | H2 | 120.0° | 123.9° |
| N1 | CA1 | C1 | CB1 | 122.8° | 120.0° |
| N1 | CA1 | C1 | HA1 | 122.1° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 121.9° | 120.0° |
| N1 | CA1 | CB1 | OG1 | 67.3° | 65.0° |
| N1 | CA1 | CB1 | CG1 | 64.5° | 54.9° |
| N1 | CA1 | CB1 | HB1 | 177.4° | 175.0° |
| N1 | CA1 | C1 | N3 | 84.8° | 63.2° |
| N1 | CA1 | C1 | N2 | 95.3° | 53.6° |
| N1 | CA1 | C1 | HC1 | 83.1° | 175.2° |
| H | N1 | CA1 | C1 | 27.0° | 60.0° |
| H | N1 | CA1 | CB1 | 151.8° | 60.0° |
| H | N1 | CA1 | HA1 | 93.1° | 180.0° |
| H2 | N1 | CA1 | C1 | 93.0° | 176.1° |
| H2 | N1 | CA1 | CB1 | 31.8° | 63.9° |
| H2 | N1 | CA1 | HA1 | 146.9° | 56.0° |
| C1 | CA1 | CB1 | HA1 | 119.7° | 120.0° |
| C1 | CA1 | CB1 | OG1 | 51.2° | 55.1° |
| C1 | CA1 | CB1 | CG1 | 177.1° | 175.0° |
| C1 | CA1 | CB1 | HB1 | 64.1° | 65.0° |
| CA1 | C1 | N3 | N2 | 179.9° | 119.2° |
| CA1 | C1 | N3 | HC1 | 0.6° | 121.6° |
| CA1 | C1 | N2 | HC1 | 0.6° | 121.6° |
| CA1 | C1 | N2 | CA2 | 180.0° | 92.1° |
| CA1 | C1 | N3 | C2 | 179.9° | 101.6° |
| CA1 | C1 | N3 | CA3 | 0.1° | 78.4° |
| CA1 | C1 | N2 | HN2 | 60.1° | 148.9° |
| CA1 | CB1 | OG1 | CG1 | 129.1° | 119.9° |
| CA1 | CB1 | OG1 | HB1 | 118.9° | 120.1° |
| CA1 | CB1 | CG1 | HB1 | 118.4° | 120.1° |
| CA1 | CB1 | CG1 | HG1 | 173.5° | 59.9° |
| CA1 | CB1 | CG1 | HG1A | 66.5° | 180.0° |
| CA1 | CB1 | CG1 | HG1B | 53.5° | 60.1° |
| CA1 | CB1 | OG1 | HOG1 | 29.9° | 60.0° |
| CB1 | CA1 | C1 | N3 | 152.4° | 176.8° |
| CB1 | CA1 | C1 | N2 | 27.5° | 66.5° |
| CB1 | CA1 | C1 | HC1 | 39.7° | 55.2° |
| HA1 | CA1 | CB1 | OG1 | 170.9° | 175.1° |
| HA1 | CA1 | CB1 | CG1 | 57.4° | 65.0° |
| HA1 | CA1 | CB1 | HB1 | 55.6° | 55.0° |
| HA1 | CA1 | C1 | N3 | 37.4° | 56.8° |
| HA1 | CA1 | C1 | N2 | 142.5° | 173.6° |
| HA1 | CA1 | C1 | HC1 | 154.8° | 64.8° |
| OG1 | CB1 | CG1 | HB1 | 113.8° | 120.0° |
| OG1 | CB1 | CG1 | HG1 | 45.7° | 60.0° |
| OG1 | CB1 | CG1 | HG1A | 165.7° | 60.1° |
| OG1 | CB1 | CG1 | HG1B | 74.3° | 180.0° |
| CB1 | CG1 | HG1 | HG1A | 120.0° | 120.0° |
| CB1 | CG1 | HG1 | HG1B | 120.0° | 120.0° |
| CB1 | CG1 | HG1A | HG1B | 120.0° | 119.9° |
| CG1 | CB1 | OG1 | HOG1 | 159.1° | 60.0° |
| HB1 | CB1 | CG1 | HG1 | 68.1° | 180.0° |
| HB1 | CB1 | CG1 | HG1A | 51.9° | 59.9° |
| HB1 | CB1 | CG1 | HG1B | 171.9° | 60.0° |
| HB1 | CB1 | OG1 | HOG1 | 89.0° | 180.0° |
| HG1 | CG1 | HG1A | HG1B | 120.0° | 120.0° |
| N3 | C1 | N2 | HC1 | 179.5° | 119.2° |
| N3 | C1 | N2 | CA2 | 0.1° | 27.1° |
| C1 | N3 | C2 | CA3 | 180.0° | 180.0° |
| C1 | N3 | C2 | O2 | 179.7° | 179.6° |
| C1 | N3 | C2 | CA2 | 0.1° | 0.4° |
| C1 | N3 | CA3 | C3 | 76.1° | 90.0° |
| C1 | N3 | CA3 | HA31 | 163.9° | 150.0° |
| C1 | N3 | CA3 | HA32 | 46.5° | 30.0° |
| N3 | C1 | N2 | HN2 | 119.9° | 91.9° |
| C1 | N2 | CA2 | HN2 | 120.0° | 118.9° |
| N2 | C1 | N3 | C2 | 0.0° | 17.6° |
| N2 | C1 | N3 | CA3 | 180.0° | 162.4° |
| C1 | N2 | CA2 | C2 | 0.2° | 26.4° |
| C1 | N2 | CA2 | CB2 | 150.3° | 145.2° |
| C1 | N2 | CA2 | HA2 | 102.5° | 92.4° |
| N2 | CA2 | C2 | N3 | 0.2° | 16.8° |
| N2 | CA2 | C2 | O2 | 179.7° | 163.2° |
| N2 | CA2 | C2 | CB2 | 142.8° | 118.8° |
| N2 | CA2 | C2 | HA2 | 122.9° | 118.8° |
| N2 | CA2 | CB2 | HA2 | 124.5° | 122.4° |
| N2 | CA2 | CB2 | CG2 | 55.9° | 68.2° |
| N2 | CA2 | CB2 | HB2 | 175.9° | 171.7° |
| N2 | CA2 | CB2 | HB2A | 49.3° | 51.8° |
| CA2 | N2 | C1 | HC1 | 179.4° | 146.3° |
| N3 | C2 | O2 | CA2 | 179.5° | 179.9° |
| N3 | C2 | CA2 | CB2 | 143.0° | 135.6° |
| N3 | C2 | CA2 | HA2 | 122.7° | 102.0° |
| C2 | N3 | CA3 | C3 | 103.9° | 90.1° |
| C2 | N3 | CA3 | HA31 | 16.1° | 30.0° |
| C2 | N3 | CA3 | HA32 | 133.5° | 150.0° |
| C2 | N3 | C1 | HC1 | 179.5° | 136.8° |
| CA3 | N3 | C2 | O2 | 0.3° | 0.3° |
| CA3 | N3 | C2 | CA2 | 179.9° | 179.6° |
| N3 | CA3 | C3 | HA31 | 120.0° | 120.0° |
| N3 | CA3 | C3 | HA32 | 122.6° | 119.9° |
| N3 | CA3 | HA31 | HA32 | 122.9° | 120.0° |
| N3 | CA3 | C3 | O3 | 175.4° | 0.1° |
| N3 | CA3 | C3 | OXT | 4.5° | 180.0° |
| CA3 | N3 | C1 | HC1 | 0.5° | 43.3° |
| O2 | C2 | CA2 | CB2 | 37.5° | 44.4° |
| O2 | C2 | CA2 | HA2 | 56.9° | 78.0° |
| C2 | CA2 | CB2 | HA2 | 91.9° | 122.3° |
| C2 | CA2 | CB2 | CG2 | 160.4° | 176.5° |
| C2 | CA2 | CB2 | HB2 | 40.4° | 56.5° |
| C2 | CA2 | CB2 | HB2A | 94.4° | 63.5° |
| C2 | CA2 | N2 | HN2 | 119.8° | 92.6° |
| CA2 | CB2 | CG2 | HB2 | 120.0° | 120.0° |
| CA2 | CB2 | CG2 | HB2A | 105.2° | 120.0° |
| CA2 | CB2 | HB2 | HB2A | 109.8° | 120.0° |
| CA2 | CB2 | CG2 | CD2 | 122.6° | 90.2° |
| CA2 | CB2 | CG2 | CD1 | 57.4° | 90.0° |
| CB2 | CA2 | N2 | HN2 | 30.3° | 26.2° |
| HA2 | CA2 | CB2 | CG2 | 68.5° | 54.2° |
| HA2 | CA2 | CB2 | HB2 | 51.5° | 65.9° |
| HA2 | CA2 | CB2 | HB2A | 173.7° | 174.1° |
| HA2 | CA2 | N2 | HN2 | 137.5° | 148.6° |
| C3 | CA3 | HA31 | HA32 | 122.9° | 120.0° |
| CA3 | C3 | O3 | OXT | 180.0° | 179.9° |
| CA3 | C3 | OXT | HXT | 180.0° | 180.0° |
| HA31 | CA3 | C3 | O3 | 55.4° | 120.0° |
| HA31 | CA3 | C3 | OXT | 124.5° | 59.9° |
| HA32 | CA3 | C3 | O3 | 62.0° | 120.0° |
| HA32 | CA3 | C3 | OXT | 118.1° | 60.1° |
| O3 | C3 | OXT | HXT | 0.0° | 0.0° |
| CG2 | CB2 | HB2 | HB2A | 109.7° | 120.0° |
| CB2 | CG2 | CD2 | CD1 | 180.0° | 179.8° |
| CB2 | CG2 | CD1 | CE1 | 179.8° | 180.0° |
| CB2 | CG2 | CD1 | HD1 | 0.1° | 0.0° |
| CB2 | CG2 | CD2 | CE2 | 179.9° | 180.0° |
| CB2 | CG2 | CD2 | HD2 | 0.1° | 0.0° |
| HB2 | CB2 | CG2 | CD2 | 2.6° | 149.7° |
| HB2 | CB2 | CG2 | CD1 | 177.4° | 30.0° |
| HB2A | CB2 | CG2 | CD2 | 132.2° | 29.8° |
| HB2A | CB2 | CG2 | CD1 | 47.8° | 150.0° |
| CD2 | CG2 | CD1 | CE1 | 0.2° | 0.2° |
| CD2 | CG2 | CD1 | HD1 | 179.9° | 179.8° |
| CG2 | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CG2 | CD2 | CE2 | CZ | 0.4° | 0.1° |
| CG2 | CD2 | CE2 | HE2 | 179.7° | 180.0° |
| CG2 | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG2 | CD2 | CE2 | 0.1° | 0.2° |
| CD1 | CG2 | CD2 | HD2 | 179.9° | 179.7° |
| CG2 | CD1 | CE1 | CZ | 0.4° | 0.0° |
| CG2 | CD1 | CE1 | HE1 | 179.6° | 179.9° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 0.6° | 0.3° |
| CD1 | CE1 | CZ | OH | 179.8° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 179.6° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.4° | 0.1° |
| CD2 | CE2 | CZ | CE1 | 0.6° | 0.3° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | OH | 179.8° | 180.0° |
| HD2 | CD2 | CE2 | CZ | 179.6° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 0.3° | 0.0° |
| CE1 | CZ | CE2 | OH | 179.6° | 179.7° |
| CE1 | CZ | CE2 | HE2 | 179.4° | 179.7° |
| CE1 | CZ | OH | HOH | 155.7° | 90.4° |
| HE1 | CE1 | CZ | CE2 | 179.4° | 179.8° |
| HE1 | CE1 | CZ | OH | 0.1° | 0.1° |
| CE2 | CZ | OH | HOH | 24.8° | 89.9° |
| HE2 | CE2 | CZ | OH | 0.2° | 0.0° |
| HC1 | C1 | N2 | HN2 | 60.6° | 27.3° |
