NRP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | OXT | sing | 1.34Å | 1.37Å | |
| N1 | CA1 | doub | 1.29Å | 1.31Å | |
| N1 | H | sing | 0.97Å | 1.00Å | |
| O3 | C3 | doub | 1.21Å | 1.28Å | |
| C1 | CA1 | sing | 1.47Å | 1.36Å | |
| C1 | N2 | doub | 1.31Å | 1.37Å | |
| C2 | CA2 | sing | 1.47Å | 1.43Å | |
| O2 | C2 | doub | 1.22Å | 1.43Å | |
| N3 | C1 | sing | 1.38Å | 1.35Å | |
| N3 | C2 | sing | 1.35Å | 1.27Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| OH | CZ | sing | 1.36Å | 1.32Å | |
| OH | HOH | sing | 0.97Å | 0.95Å | |
| CZ | CE2 | sing | 1.39Å | 1.37Å | Aromatic |
| CA1 | CB1 | sing | 1.51Å | 1.39Å | |
| CA2 | N2 | sing | 1.35Å | 1.32Å | |
| CA2 | CB2 | doub | 1.38Å | 1.48Å | |
| CA3 | C3 | sing | 1.51Å | 1.41Å | |
| CA3 | N3 | sing | 1.47Å | 1.39Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| CB1 | CG1 | sing | 1.53Å | 1.56Å | |
| CB1 | HB1 | sing | 1.09Å | 1.10Å | |
| CB1 | HB1A | sing | 1.09Å | 1.10Å | |
| CB2 | HB2 | sing | 1.08Å | 1.08Å | |
| CD1 | CG2 | doub | 1.40Å | 1.37Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CD3 | HD3 | sing | 1.09Å | 1.10Å | |
| CD3 | HD3A | sing | 1.09Å | 1.10Å | |
| CD3 | HD3B | sing | 1.09Å | 1.10Å | |
| CD4 | HD4 | sing | 1.09Å | 1.10Å | |
| CD4 | HD4A | sing | 1.09Å | 1.10Å | |
| CD4 | HD4B | sing | 1.09Å | 1.10Å | |
| CE1 | CZ | doub | 1.39Å | 1.37Å | Aromatic |
| CE1 | CD1 | sing | 1.37Å | 1.38Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CD2 | doub | 1.37Å | 1.37Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CG1 | CD3 | sing | 1.53Å | 1.52Å | |
| CG1 | CD4 | sing | 1.53Å | 1.56Å | |
| CG1 | HG1 | sing | 1.09Å | 1.10Å | |
| CG2 | CB2 | sing | 1.46Å | 1.48Å | |
| CG2 | CD2 | sing | 1.40Å | 1.37Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C3 | O3 | 123.4° | 120.0° |
| C3 | OXT | HXT | 109.5° | 117.0° |
| OXT | C3 | CA3 | 116.8° | 120.0° |
| CA1 | N1 | H | 112.0° | 120.0° |
| N1 | CA1 | C1 | 124.5° | 120.0° |
| N1 | CA1 | CB1 | 114.0° | 120.0° |
| O3 | C3 | CA3 | 119.8° | 120.0° |
| CA1 | C1 | N2 | 118.9° | 124.6° |
| CA1 | C1 | N3 | 135.6° | 124.6° |
| C1 | CA1 | CB1 | 120.6° | 120.0° |
| N2 | C1 | N3 | 105.4° | 110.9° |
| C1 | N2 | CA2 | 112.5° | 109.5° |
| CA2 | C2 | O2 | 122.7° | 127.3° |
| CA2 | C2 | N3 | 111.1° | 105.4° |
| C2 | CA2 | N2 | 101.8° | 106.2° |
| C2 | CA2 | CB2 | 131.0° | 126.9° |
| O2 | C2 | N3 | 126.3° | 127.3° |
| C1 | N3 | C2 | 109.1° | 108.0° |
| C1 | N3 | CA3 | 125.5° | 126.0° |
| C2 | N3 | CA3 | 125.3° | 126.0° |
| CZ | OH | HOH | 109.5° | 113.9° |
| OH | CZ | CE2 | 119.9° | 119.8° |
| OH | CZ | CE1 | 119.5° | 119.8° |
| CE2 | CZ | CE1 | 120.5° | 120.3° |
| CZ | CE2 | CD2 | 118.7° | 120.1° |
| CZ | CE2 | HE2 | 120.6° | 119.9° |
| CA1 | CB1 | CG1 | 121.7° | 109.5° |
| CA1 | CB1 | HB1 | 105.6° | 109.5° |
| CA1 | CB1 | HB1A | 105.6° | 109.5° |
| N2 | CA2 | CB2 | 127.1° | 126.9° |
| CA2 | CB2 | HB2 | 121.7° | 120.0° |
| CA2 | CB2 | CG2 | 116.7° | 120.0° |
| C3 | CA3 | N3 | 116.3° | 109.4° |
| C3 | CA3 | HA31 | 107.2° | 109.5° |
| C3 | CA3 | HA32 | 107.2° | 109.5° |
| N3 | CA3 | HA31 | 107.2° | 109.5° |
| N3 | CA3 | HA32 | 107.2° | 109.5° |
| HA31 | CA3 | HA32 | 111.6° | 109.5° |
| CG1 | CB1 | HB1 | 105.6° | 109.4° |
| CG1 | CB1 | HB1A | 105.6° | 109.5° |
| CB1 | CG1 | CD3 | 122.1° | 109.5° |
| CB1 | CG1 | CD4 | 94.6° | 109.4° |
| CB1 | CG1 | HG1 | 114.8° | 109.5° |
| HB1 | CB1 | HB1A | 113.0° | 109.5° |
| HB2 | CB2 | CG2 | 121.6° | 120.0° |
| CG2 | CD1 | HD1 | 120.4° | 120.0° |
| CG2 | CD1 | CE1 | 119.3° | 119.8° |
| CD1 | CG2 | CB2 | 120.6° | 120.2° |
| CD1 | CG2 | CD2 | 119.8° | 119.7° |
| HD1 | CD1 | CE1 | 120.4° | 120.1° |
| HD2 | CD2 | CE2 | 119.3° | 120.1° |
| HD2 | CD2 | CG2 | 119.4° | 120.1° |
| HD3 | CD3 | HD3A | 109.4° | 109.5° |
| HD3 | CD3 | HD3B | 109.5° | 109.5° |
| HD3 | CD3 | CG1 | 109.5° | 109.4° |
| HD3A | CD3 | HD3B | 109.5° | 109.5° |
| HD3A | CD3 | CG1 | 109.5° | 109.5° |
| HD3B | CD3 | CG1 | 109.5° | 109.4° |
| HD4 | CD4 | HD4A | 109.5° | 109.5° |
| HD4 | CD4 | HD4B | 109.4° | 109.4° |
| HD4 | CD4 | CG1 | 109.5° | 109.5° |
| HD4A | CD4 | HD4B | 109.5° | 109.5° |
| HD4A | CD4 | CG1 | 109.5° | 109.5° |
| HD4B | CD4 | CG1 | 109.5° | 109.4° |
| CZ | CE1 | CD1 | 120.3° | 120.2° |
| CZ | CE1 | HE1 | 119.8° | 119.9° |
| CD1 | CE1 | HE1 | 119.8° | 119.9° |
| CD2 | CE2 | HE2 | 120.7° | 120.0° |
| CE2 | CD2 | CG2 | 121.3° | 119.8° |
| CD3 | CG1 | CD4 | 117.6° | 109.5° |
| CD3 | CG1 | HG1 | 90.4° | 109.5° |
| CD4 | CG1 | HG1 | 119.7° | 109.4° |
| CB2 | CG2 | CD2 | 119.6° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C3 | O3 | CA3 | 177.9° | 179.7° |
| OXT | C3 | CA3 | N3 | 1.1° | 180.0° |
| OXT | C3 | CA3 | HA31 | 121.1° | 60.0° |
| OXT | C3 | CA3 | HA32 | 118.9° | 60.0° |
| N1 | CA1 | C1 | CB1 | 169.2° | 179.9° |
| N1 | CA1 | C1 | N2 | 159.1° | 180.0° |
| N1 | CA1 | C1 | N3 | 18.9° | 0.2° |
| N1 | CA1 | CB1 | CG1 | 74.2° | 90.7° |
| N1 | CA1 | CB1 | HB1 | 45.8° | 149.4° |
| N1 | CA1 | CB1 | HB1A | 165.7° | 29.4° |
| H | N1 | CA1 | C1 | 169.8° | 175.1° |
| H | N1 | CA1 | CB1 | 0.0° | 4.8° |
| O3 | C3 | OXT | HXT | 0.0° | 0.0° |
| O3 | C3 | CA3 | N3 | 179.1° | 0.3° |
| O3 | C3 | CA3 | HA31 | 60.9° | 120.3° |
| O3 | C3 | CA3 | HA32 | 59.2° | 119.7° |
| CA1 | C1 | N2 | N3 | 178.6° | 179.8° |
| CA1 | C1 | N3 | C2 | 179.2° | 180.0° |
| CA1 | C1 | N2 | CA2 | 178.2° | 180.0° |
| CA1 | C1 | N3 | CA3 | 2.9° | 0.1° |
| C1 | CA1 | CB1 | CG1 | 115.5° | 89.2° |
| C1 | CA1 | CB1 | HB1 | 124.5° | 30.7° |
| C1 | CA1 | CB1 | HB1A | 4.5° | 150.7° |
| C1 | N2 | CA2 | C2 | 1.4° | 0.1° |
| N2 | C1 | N3 | C2 | 1.0° | 0.2° |
| N2 | C1 | CA1 | CB1 | 10.1° | 0.0° |
| C1 | N2 | CA2 | CB2 | 178.9° | 179.8° |
| N2 | C1 | N3 | CA3 | 178.9° | 179.7° |
| CA2 | C2 | O2 | N3 | 178.3° | 180.0° |
| CA2 | C2 | N3 | C1 | 2.0° | 0.1° |
| C2 | CA2 | N2 | CB2 | 177.5° | 180.0° |
| CA2 | C2 | N3 | CA3 | 179.9° | 179.8° |
| C2 | CA2 | CB2 | HB2 | 138.4° | 172.1° |
| C2 | CA2 | CB2 | CG2 | 41.6° | 7.9° |
| O2 | C2 | N3 | C1 | 179.6° | 179.8° |
| O2 | C2 | CA2 | N2 | 179.4° | 180.0° |
| O2 | C2 | CA2 | CB2 | 2.0° | 0.0° |
| O2 | C2 | N3 | CA3 | 1.7° | 0.2° |
| C1 | N3 | C2 | CA3 | 177.9° | 180.0° |
| N3 | C1 | CA1 | CB1 | 171.9° | 179.7° |
| N3 | C1 | N2 | CA2 | 0.4° | 0.2° |
| C1 | N3 | CA3 | C3 | 74.4° | 90.0° |
| C1 | N3 | CA3 | HA31 | 45.6° | 30.0° |
| C1 | N3 | CA3 | HA32 | 165.6° | 150.0° |
| N3 | C2 | CA2 | N2 | 2.1° | 0.0° |
| N3 | C2 | CA2 | CB2 | 179.5° | 180.0° |
| C2 | N3 | CA3 | C3 | 103.1° | 90.0° |
| C2 | N3 | CA3 | HA31 | 136.9° | 150.0° |
| C2 | N3 | CA3 | HA32 | 16.8° | 30.0° |
| HXT | OXT | C3 | CA3 | 178.0° | 179.8° |
| OH | CZ | CE2 | CE1 | 179.9° | 179.8° |
| OH | CZ | CE1 | CD1 | 178.3° | 180.0° |
| OH | CZ | CE1 | HE1 | 1.7° | 0.0° |
| OH | CZ | CE2 | CD2 | 177.8° | 180.0° |
| OH | CZ | CE2 | HE2 | 2.2° | 0.0° |
| HOH | OH | CZ | CE2 | 180.0° | 90.0° |
| HOH | OH | CZ | CE1 | 0.1° | 89.8° |
| CZ | CE2 | CD2 | HD2 | 177.7° | 180.0° |
| CE2 | CZ | CE1 | CD1 | 1.5° | 0.2° |
| CE2 | CZ | CE1 | HE1 | 178.5° | 179.8° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 180.0° |
| CZ | CE2 | CD2 | CG2 | 2.3° | 0.0° |
| CA1 | CB1 | CG1 | HB1 | 120.0° | 120.0° |
| CA1 | CB1 | CG1 | HB1A | 120.0° | 120.0° |
| CA1 | CB1 | HB1 | HB1A | 114.9° | 120.0° |
| CA1 | CB1 | CG1 | CD3 | 161.2° | 174.2° |
| CA1 | CB1 | CG1 | CD4 | 72.0° | 65.8° |
| CA1 | CB1 | CG1 | HG1 | 53.8° | 54.2° |
| N2 | CA2 | CB2 | HB2 | 38.3° | 7.9° |
| N2 | CA2 | CB2 | CG2 | 141.7° | 172.1° |
| CA2 | CB2 | HB2 | CG2 | 180.0° | 180.0° |
| CA2 | CB2 | CG2 | CD1 | 67.5° | 38.6° |
| CA2 | CB2 | CG2 | CD2 | 114.4° | 141.4° |
| C3 | CA3 | N3 | HA31 | 120.0° | 120.0° |
| C3 | CA3 | N3 | HA32 | 120.0° | 120.0° |
| C3 | CA3 | HA31 | HA32 | 117.2° | 120.0° |
| N3 | CA3 | HA31 | HA32 | 117.2° | 120.0° |
| CG1 | CB1 | HB1 | HB1A | 115.0° | 120.0° |
| CB1 | CG1 | CD3 | HD3 | 180.0° | 60.0° |
| CB1 | CG1 | CD3 | HD3A | 60.0° | 180.0° |
| CB1 | CG1 | CD3 | HD3B | 60.0° | 60.0° |
| CB1 | CG1 | CD4 | HD4 | 180.0° | 54.8° |
| CB1 | CG1 | CD4 | HD4A | 60.0° | 65.3° |
| CB1 | CG1 | CD4 | HD4B | 60.0° | 174.8° |
| CB1 | CG1 | CD3 | CD4 | 115.8° | 120.0° |
| CB1 | CG1 | CD3 | HG1 | 120.0° | 120.0° |
| CB1 | CG1 | CD4 | HG1 | 122.1° | 120.0° |
| HB1 | CB1 | CG1 | CD3 | 41.2° | 54.2° |
| HB1 | CB1 | CG1 | CD4 | 168.0° | 174.2° |
| HB1 | CB1 | CG1 | HG1 | 66.2° | 65.8° |
| HB1A | CB1 | CG1 | CD3 | 78.8° | 65.8° |
| HB1A | CB1 | CG1 | CD4 | 48.0° | 54.2° |
| HB1A | CB1 | CG1 | HG1 | 173.8° | 174.2° |
| HB2 | CB2 | CG2 | CD1 | 112.6° | 141.4° |
| HB2 | CB2 | CG2 | CD2 | 65.6° | 38.5° |
| CG2 | CD1 | HD1 | CE1 | 180.0° | 179.7° |
| CD1 | CG2 | CD2 | HD2 | 178.0° | 179.7° |
| CG2 | CD1 | CE1 | CZ | 1.2° | 0.0° |
| CG2 | CD1 | CE1 | HE1 | 178.8° | 180.0° |
| CD1 | CG2 | CD2 | CE2 | 2.0° | 0.2° |
| CD1 | CG2 | CB2 | CD2 | 178.1° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 178.9° | 179.7° |
| HD1 | CD1 | CE1 | HE1 | 1.1° | 0.3° |
| HD1 | CD1 | CG2 | CB2 | 0.5° | 0.0° |
| HD1 | CD1 | CG2 | CD2 | 178.6° | 180.0° |
| HD2 | CD2 | CE2 | CG2 | 180.0° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 2.3° | 0.0° |
| HD2 | CD2 | CG2 | CB2 | 0.1° | 0.3° |
| HD3 | CD3 | HD3A | HD3B | 120.0° | 120.0° |
| HD3 | CD3 | HD3A | CG1 | 120.0° | 120.0° |
| HD3 | CD3 | HD3B | CG1 | 120.1° | 119.9° |
| HD3 | CD3 | CG1 | CD4 | 64.2° | 60.0° |
| HD3 | CD3 | CG1 | HG1 | 60.0° | 180.0° |
| HD3A | CD3 | HD3B | CG1 | 120.0° | 120.0° |
| HD3A | CD3 | CG1 | CD4 | 175.8° | 60.0° |
| HD3A | CD3 | CG1 | HG1 | 60.0° | 60.0° |
| HD3B | CD3 | CG1 | CD4 | 55.8° | 180.0° |
| HD3B | CD3 | CG1 | HG1 | 180.0° | 60.0° |
| HD4 | CD4 | HD4A | HD4B | 119.9° | 120.0° |
| HD4 | CD4 | HD4A | CG1 | 120.1° | 120.0° |
| HD4 | CD4 | HD4B | CG1 | 120.0° | 120.0° |
| HD4 | CD4 | CG1 | CD3 | 50.0° | 65.2° |
| HD4 | CD4 | CG1 | HG1 | 57.9° | 174.8° |
| HD4A | CD4 | HD4B | CG1 | 120.0° | 120.0° |
| HD4A | CD4 | CG1 | CD3 | 70.1° | 174.7° |
| HD4A | CD4 | CG1 | HG1 | 177.9° | 54.7° |
| HD4B | CD4 | CG1 | CD3 | 169.9° | 54.7° |
| HD4B | CD4 | CG1 | HG1 | 62.1° | 65.3° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 180.0° |
| CE1 | CZ | CE2 | CD2 | 2.1° | 0.2° |
| CE1 | CZ | CE2 | HE2 | 177.9° | 179.8° |
| CE1 | CD1 | CG2 | CB2 | 179.5° | 179.7° |
| CE1 | CD1 | CG2 | CD2 | 1.4° | 0.3° |
| CE2 | CD2 | CG2 | CB2 | 179.9° | 179.7° |
| HE2 | CE2 | CD2 | CG2 | 177.7° | 180.0° |
| CD3 | CG1 | CD4 | HG1 | 107.8° | 120.0° |
