CIV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NZ | CE | sing | 1.47Å | 1.47Å | |
| CE | CD | sing | 1.53Å | 1.52Å | |
| CD | CG1 | sing | 1.53Å | 1.53Å | |
| CG1 | CB1 | sing | 1.53Å | 1.53Å | |
| O3 | C3 | doub | 1.21Å | 1.24Å | |
| N1 | CA1 | sing | 1.47Å | 1.49Å | |
| C3 | CA3 | sing | 1.51Å | 1.52Å | |
| CA1 | CB1 | sing | 1.53Å | 1.53Å | |
| CA1 | C1 | sing | 1.51Å | 1.51Å | |
| CA3 | N3 | sing | 1.46Å | 1.45Å | |
| C1 | N3 | doub | 1.31Å | 1.37Å | |
| C1 | N2 | sing | 1.36Å | 1.32Å | |
| N3 | C2 | sing | 1.37Å | 1.38Å | |
| N2 | CA2 | doub | 1.30Å | 1.39Å | |
| C2 | O2 | doub | 1.21Å | 1.25Å | |
| C2 | CA2 | sing | 1.50Å | 1.42Å | |
| CA2 | CB2 | sing | 1.51Å | 1.50Å | |
| CB2 | CG2 | sing | 1.51Å | 1.51Å | |
| CD2 | CG2 | doub | 1.38Å | 1.39Å | Aromatic |
| CD2 | CE2 | sing | 1.38Å | 1.38Å | Aromatic |
| CG2 | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
| CE2 | CZ | doub | 1.39Å | 1.39Å | Aromatic |
| CD1 | CE1 | doub | 1.38Å | 1.38Å | Aromatic |
| CZ | CE1 | sing | 1.39Å | 1.38Å | Aromatic |
| CZ | OH | sing | 1.36Å | 1.36Å | |
| N1 | H | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CB1 | HB11 | sing | 1.09Å | 1.10Å | |
| CB1 | HB12 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CB2 | HB2 | sing | 1.09Å | 1.10Å | |
| CB2 | H5 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| OH | HOH | sing | 0.97Å | 0.95Å | |
| CD | HD2A | sing | 1.09Å | 1.10Å | |
| CD | HD1A | sing | 1.09Å | 1.10Å | |
| CE | HE2A | sing | 1.09Å | 1.10Å | |
| CE | HE1A | sing | 1.09Å | 1.10Å | |
| C3 | OXT | sing | 1.34Å | 1.36Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| NZ | H3 | sing | 1.01Å | 1.00Å | |
| NZ | H4 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NZ | CE | CD | 112.5° | 109.4° |
| NZ | CE | HE2A | 108.7° | 109.4° |
| NZ | CE | HE1A | 108.7° | 109.5° |
| CE | NZ | H3 | 109.5° | 111.0° |
| CE | NZ | H4 | 109.5° | 111.0° |
| CE | CD | CG1 | 112.0° | 109.4° |
| CE | CD | HD2A | 108.8° | 109.5° |
| CE | CD | HD1A | 108.8° | 109.5° |
| CD | CE | HE2A | 108.7° | 109.4° |
| CD | CE | HE1A | 108.7° | 109.5° |
| CD | CG1 | CB1 | 112.3° | 109.5° |
| CD | CG1 | HG12 | 108.7° | 109.5° |
| CD | CG1 | HG11 | 108.8° | 109.5° |
| CG1 | CD | HD2A | 108.8° | 109.4° |
| CG1 | CD | HD1A | 108.8° | 109.5° |
| CG1 | CB1 | CA1 | 109.8° | 109.5° |
| CG1 | CB1 | HB11 | 109.4° | 109.4° |
| CG1 | CB1 | HB12 | 109.4° | 109.5° |
| CB1 | CG1 | HG12 | 108.8° | 109.4° |
| CB1 | CG1 | HG11 | 108.8° | 109.5° |
| O3 | C3 | CA3 | 118.3° | 119.9° |
| O3 | C3 | OXT | 119.9° | 120.0° |
| N1 | CA1 | CB1 | 111.4° | 109.5° |
| N1 | CA1 | C1 | 107.4° | 109.5° |
| CA1 | N1 | H | 109.5° | 111.0° |
| CA1 | N1 | H2 | 109.5° | 111.0° |
| N1 | CA1 | HA1 | 108.5° | 109.5° |
| C3 | CA3 | N3 | 115.9° | 109.5° |
| C3 | CA3 | HA32 | 107.8° | 109.5° |
| C3 | CA3 | HA31 | 107.9° | 109.5° |
| CA3 | C3 | OXT | 120.1° | 120.1° |
| CB1 | CA1 | C1 | 113.2° | 109.5° |
| CB1 | CA1 | HA1 | 108.0° | 109.4° |
| CA1 | CB1 | HB11 | 109.4° | 109.4° |
| CA1 | CB1 | HB12 | 109.4° | 109.5° |
| CA1 | C1 | N3 | 124.7° | 124.1° |
| CA1 | C1 | N2 | 124.7° | 124.1° |
| C1 | CA1 | HA1 | 108.3° | 109.5° |
| CA3 | N3 | C1 | 127.2° | 125.9° |
| CA3 | N3 | C2 | 121.9° | 125.9° |
| N3 | CA3 | HA32 | 107.9° | 109.5° |
| N3 | CA3 | HA31 | 107.9° | 109.5° |
| N3 | C1 | N2 | 110.6° | 111.7° |
| C1 | N3 | C2 | 109.6° | 108.2° |
| C1 | N2 | CA2 | 106.6° | 109.6° |
| N3 | C2 | O2 | 123.9° | 127.5° |
| N3 | C2 | CA2 | 103.6° | 104.9° |
| N2 | CA2 | C2 | 109.6° | 105.5° |
| N2 | CA2 | CB2 | 118.9° | 127.2° |
| O2 | C2 | CA2 | 132.5° | 127.5° |
| C2 | CA2 | CB2 | 131.5° | 127.3° |
| CA2 | CB2 | CG2 | 115.4° | 109.4° |
| CA2 | CB2 | HB2 | 108.0° | 109.4° |
| CA2 | CB2 | H5 | 107.9° | 109.4° |
| CB2 | CG2 | CD2 | 121.3° | 119.9° |
| CB2 | CG2 | CD1 | 120.6° | 119.9° |
| CG2 | CB2 | HB2 | 108.0° | 109.5° |
| CG2 | CB2 | H5 | 108.0° | 109.5° |
| CG2 | CD2 | CE2 | 121.1° | 120.0° |
| CD2 | CG2 | CD1 | 118.1° | 120.1° |
| CG2 | CD2 | HD2 | 119.4° | 120.0° |
| CD2 | CE2 | CZ | 119.9° | 119.9° |
| CE2 | CD2 | HD2 | 119.4° | 119.9° |
| CD2 | CE2 | HE2 | 120.0° | 120.0° |
| CG2 | CD1 | CE1 | 121.3° | 120.1° |
| CG2 | CD1 | HD1 | 119.4° | 120.0° |
| CE2 | CZ | CE1 | 119.6° | 119.9° |
| CE2 | CZ | OH | 121.3° | 120.1° |
| CZ | CE2 | HE2 | 120.1° | 120.0° |
| CD1 | CE1 | CZ | 119.8° | 119.9° |
| CE1 | CD1 | HD1 | 119.3° | 119.9° |
| CD1 | CE1 | HE1 | 120.1° | 120.1° |
| CE1 | CZ | OH | 119.0° | 120.0° |
| CZ | CE1 | HE1 | 120.1° | 120.0° |
| CZ | OH | HOH | 109.5° | 114.0° |
| H | N1 | H2 | 109.4° | 111.0° |
| HB11 | CB1 | HB12 | 109.4° | 109.5° |
| HG12 | CG1 | HG11 | 109.4° | 109.5° |
| HA32 | CA3 | HA31 | 109.5° | 109.4° |
| HB2 | CB2 | H5 | 109.5° | 109.5° |
| HD2A | CD | HD1A | 109.5° | 109.5° |
| HE2A | CE | HE1A | 109.5° | 109.5° |
| C3 | OXT | HXT | 109.5° | 117.0° |
| H3 | NZ | H4 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NZ | CE | CD | HE2A | 120.5° | 119.9° |
| NZ | CE | CD | HE1A | 120.4° | 120.1° |
| NZ | CE | CD | CG1 | 80.4° | 180.0° |
| NZ | CE | CD | HD2A | 39.9° | 60.1° |
| NZ | CE | CD | HD1A | 159.2° | 60.0° |
| NZ | CE | HE2A | HE1A | 118.6° | 120.0° |
| CE | NZ | H3 | H4 | 120.0° | 124.0° |
| CE | CD | CG1 | HD2A | 120.4° | 120.0° |
| CE | CD | CG1 | HD1A | 120.4° | 120.0° |
| CE | CD | CG1 | CB1 | 174.8° | 180.0° |
| CE | CD | CG1 | HG12 | 64.8° | 60.0° |
| CE | CD | CG1 | HG11 | 54.3° | 60.0° |
| CE | CD | HD2A | HD1A | 118.8° | 120.1° |
| CD | CE | HE2A | HE1A | 118.6° | 120.1° |
| CD | CE | NZ | H3 | 180.0° | 56.0° |
| CD | CE | NZ | H4 | 60.0° | 180.0° |
| CD | CG1 | CB1 | HG12 | 120.4° | 120.0° |
| CD | CG1 | CB1 | HG11 | 120.4° | 120.1° |
| CD | CG1 | CB1 | CA1 | 179.5° | 180.0° |
| CD | CG1 | CB1 | HB11 | 59.4° | 60.1° |
| CD | CG1 | CB1 | HB12 | 60.5° | 59.9° |
| CD | CG1 | HG12 | HG11 | 118.7° | 120.0° |
| CG1 | CD | HD2A | HD1A | 118.8° | 120.0° |
| CG1 | CD | CE | HE2A | 159.1° | 60.1° |
| CG1 | CD | CE | HE1A | 40.0° | 59.9° |
| CG1 | CB1 | CA1 | N1 | 67.3° | 64.9° |
| CG1 | CB1 | CA1 | HB11 | 120.1° | 119.9° |
| CG1 | CB1 | CA1 | HB12 | 120.1° | 120.0° |
| CG1 | CB1 | CA1 | C1 | 171.6° | 175.0° |
| CG1 | CB1 | CA1 | HA1 | 51.7° | 55.1° |
| CG1 | CB1 | HB11 | HB12 | 119.8° | 120.0° |
| CB1 | CG1 | HG12 | HG11 | 118.7° | 120.0° |
| CB1 | CG1 | CD | HD2A | 54.4° | 60.0° |
| CB1 | CG1 | CD | HD1A | 64.8° | 59.9° |
| O3 | C3 | CA3 | OXT | 165.0° | 180.0° |
| O3 | C3 | CA3 | N3 | 176.4° | 0.0° |
| O3 | C3 | CA3 | HA32 | 62.6° | 120.1° |
| O3 | C3 | CA3 | HA31 | 55.5° | 120.0° |
| O3 | C3 | OXT | HXT | 0.0° | 0.0° |
| N1 | CA1 | CB1 | C1 | 121.1° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 119.0° | 120.0° |
| N1 | CA1 | C1 | HA1 | 116.9° | 120.0° |
| N1 | CA1 | C1 | N3 | 70.4° | 113.9° |
| N1 | CA1 | C1 | N2 | 110.4° | 65.9° |
| CA1 | N1 | H | H2 | 120.0° | 124.0° |
| N1 | CA1 | CB1 | HB11 | 172.6° | 54.9° |
| N1 | CA1 | CB1 | HB12 | 52.8° | 175.0° |
| C3 | CA3 | N3 | HA32 | 120.9° | 120.0° |
| C3 | CA3 | N3 | HA31 | 120.9° | 120.0° |
| C3 | CA3 | N3 | C1 | 90.8° | 114.5° |
| C3 | CA3 | N3 | C2 | 103.0° | 65.6° |
| C3 | CA3 | HA32 | HA31 | 117.1° | 119.9° |
| CA3 | C3 | OXT | HXT | 164.8° | 179.9° |
| CB1 | CA1 | C1 | HA1 | 119.7° | 120.0° |
| CB1 | CA1 | C1 | N3 | 166.3° | 126.1° |
| CB1 | CA1 | C1 | N2 | 13.0° | 54.1° |
| CB1 | CA1 | N1 | H | 180.0° | 174.2° |
| CB1 | CA1 | N1 | H2 | 60.0° | 61.8° |
| CA1 | CB1 | HB11 | HB12 | 119.8° | 120.0° |
| CA1 | CB1 | CG1 | HG12 | 60.1° | 60.0° |
| CA1 | CB1 | CG1 | HG11 | 59.0° | 59.9° |
| CA1 | C1 | N3 | CA3 | 14.1° | 0.1° |
| CA1 | C1 | N3 | N2 | 179.3° | 179.8° |
| CA1 | C1 | N3 | C2 | 178.4° | 180.0° |
| CA1 | C1 | N2 | CA2 | 178.9° | 180.0° |
| C1 | CA1 | N1 | H | 55.6° | 65.8° |
| C1 | CA1 | N1 | H2 | 64.4° | 58.2° |
| C1 | CA1 | CB1 | HB11 | 51.5° | 65.1° |
| C1 | CA1 | CB1 | HB12 | 68.3° | 55.0° |
| CA3 | N3 | C1 | C2 | 167.5° | 179.9° |
| CA3 | N3 | C1 | N2 | 166.6° | 179.7° |
| CA3 | N3 | C2 | O2 | 11.2° | 0.1° |
| CA3 | N3 | C2 | CA2 | 167.3° | 179.8° |
| N3 | CA3 | HA32 | HA31 | 117.1° | 120.0° |
| N3 | CA3 | C3 | OXT | 18.5° | 180.0° |
| N3 | C1 | N2 | CA2 | 0.4° | 0.2° |
| C1 | N3 | C2 | O2 | 179.5° | 180.0° |
| C1 | N3 | C2 | CA2 | 1.1° | 0.1° |
| N3 | C1 | CA1 | HA1 | 46.6° | 6.1° |
| C1 | N3 | CA3 | HA32 | 30.1° | 125.5° |
| C1 | N3 | CA3 | HA31 | 148.3° | 5.5° |
| N2 | C1 | N3 | C2 | 1.0° | 0.2° |
| C1 | N2 | CA2 | C2 | 0.3° | 0.1° |
| C1 | N2 | CA2 | CB2 | 179.0° | 180.0° |
| N2 | C1 | CA1 | HA1 | 132.7° | 174.1° |
| N3 | C2 | CA2 | N2 | 0.8° | 0.0° |
| N3 | C2 | O2 | CA2 | 177.9° | 179.8° |
| N3 | C2 | CA2 | CB2 | 178.3° | 179.9° |
| C2 | N3 | CA3 | HA32 | 136.0° | 54.4° |
| C2 | N3 | CA3 | HA31 | 17.9° | 174.4° |
| N2 | CA2 | C2 | O2 | 179.1° | 179.9° |
| N2 | CA2 | C2 | CB2 | 179.2° | 179.9° |
| N2 | CA2 | CB2 | CG2 | 152.8° | 0.1° |
| N2 | CA2 | CB2 | HB2 | 86.3° | 120.1° |
| N2 | CA2 | CB2 | H5 | 31.9° | 119.9° |
| O2 | C2 | CA2 | CB2 | 0.1° | 0.1° |
| C2 | CA2 | CB2 | CG2 | 26.3° | 179.9° |
| C2 | CA2 | CB2 | HB2 | 94.6° | 59.9° |
| C2 | CA2 | CB2 | H5 | 147.2° | 60.1° |
| CA2 | CB2 | CG2 | HB2 | 120.9° | 119.9° |
| CA2 | CB2 | CG2 | H5 | 120.8° | 120.0° |
| CA2 | CB2 | CG2 | CD2 | 36.8° | 90.3° |
| CA2 | CB2 | CG2 | CD1 | 142.0° | 90.0° |
| CA2 | CB2 | HB2 | H5 | 117.3° | 120.0° |
| CB2 | CG2 | CD2 | CD1 | 178.8° | 179.6° |
| CB2 | CG2 | CD2 | CE2 | 174.6° | 179.9° |
| CB2 | CG2 | CD1 | CE1 | 176.1° | 180.0° |
| CG2 | CB2 | HB2 | H5 | 117.3° | 120.1° |
| CB2 | CG2 | CD1 | HD1 | 3.9° | 0.1° |
| CB2 | CG2 | CD2 | HD2 | 5.4° | 0.1° |
| CG2 | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG2 | CD2 | CE2 | CZ | 1.5° | 0.0° |
| CD2 | CG2 | CD1 | CE1 | 2.7° | 0.4° |
| CD2 | CG2 | CB2 | HB2 | 157.7° | 149.7° |
| CD2 | CG2 | CB2 | H5 | 84.0° | 29.6° |
| CD2 | CG2 | CD1 | HD1 | 177.3° | 179.7° |
| CG2 | CD2 | CE2 | HE2 | 178.5° | 180.0° |
| CE2 | CD2 | CG2 | CD1 | 4.2° | 0.3° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | CE1 | 2.7° | 0.3° |
| CD2 | CE2 | CZ | OH | 178.9° | 180.0° |
| CG2 | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CG2 | CD1 | CE1 | CZ | 1.4° | 0.1° |
| CD1 | CG2 | CB2 | HB2 | 21.1° | 29.9° |
| CD1 | CG2 | CB2 | H5 | 97.2° | 150.0° |
| CD1 | CG2 | CD2 | HD2 | 175.8° | 179.7° |
| CG2 | CD1 | CE1 | HE1 | 178.6° | 179.9° |
| CE2 | CZ | CE1 | CD1 | 4.1° | 0.3° |
| CE2 | CZ | CE1 | OH | 176.3° | 179.7° |
| CZ | CE2 | CD2 | HD2 | 178.5° | 180.0° |
| CE2 | CZ | CE1 | HE1 | 175.9° | 179.7° |
| CE2 | CZ | OH | HOH | 180.0° | 90.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | OH | 179.6° | 179.9° |
| CZ | CE1 | CD1 | HD1 | 178.6° | 180.0° |
| CE1 | CZ | CE2 | HE2 | 177.3° | 179.8° |
| CE1 | CZ | OH | HOH | 3.8° | 90.4° |
| OH | CZ | CE1 | HE1 | 0.4° | 0.1° |
| OH | CZ | CE2 | HE2 | 1.1° | 0.1° |
| H | N1 | CA1 | HA1 | 61.3° | 54.2° |
| H2 | N1 | CA1 | HA1 | 178.8° | 178.3° |
| HA1 | CA1 | CB1 | HB11 | 68.4° | 175.0° |
| HA1 | CA1 | CB1 | HB12 | 171.8° | 65.0° |
| HB11 | CB1 | CG1 | HG12 | 179.8° | 179.9° |
| HB11 | CB1 | CG1 | HG11 | 61.1° | 60.0° |
| HB12 | CB1 | CG1 | HG12 | 59.9° | 60.0° |
| HB12 | CB1 | CG1 | HG11 | 179.1° | 180.0° |
| HG12 | CG1 | CD | HD2A | 174.8° | 180.0° |
| HG12 | CG1 | CD | HD1A | 55.6° | 60.0° |
| HG11 | CG1 | CD | HD2A | 66.0° | 60.0° |
| HG11 | CG1 | CD | HD1A | 174.7° | 180.0° |
| HA32 | CA3 | C3 | OXT | 102.4° | 60.0° |
| HA31 | CA3 | C3 | OXT | 139.4° | 59.9° |
| HD1 | CD1 | CE1 | HE1 | 1.4° | 0.0° |
| HD2 | CD2 | CE2 | HE2 | 1.5° | 0.1° |
| HD2A | CD | CE | HE2A | 80.5° | 180.0° |
| HD2A | CD | CE | HE1A | 160.4° | 60.0° |
| HD1A | CD | CE | HE2A | 38.7° | 59.9° |
| HD1A | CD | CE | HE1A | 80.4° | 179.9° |
| HE2A | CE | NZ | H3 | 59.5° | 63.9° |
| HE2A | CE | NZ | H4 | 60.5° | 60.1° |
| HE1A | CE | NZ | H3 | 59.6° | 176.1° |
| HE1A | CE | NZ | H4 | 179.6° | 59.9° |
