M3V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C3 | doub | 1.21Å | 1.28Å | |
| C3 | CA3 | sing | 1.51Å | 1.53Å | |
| CA3 | N3 | sing | 1.46Å | 1.44Å | |
| N3 | C2 | sing | 1.35Å | 1.48Å | |
| N3 | C1 | sing | 1.37Å | 1.40Å | |
| O2 | C2 | doub | 1.22Å | 1.18Å | |
| CA1 | N1 | sing | 1.47Å | 1.45Å | |
| CA1 | C1 | sing | 1.51Å | 1.52Å | |
| CA1 | CB1 | sing | 1.53Å | 1.53Å | |
| C2 | CA2 | sing | 1.48Å | 1.52Å | |
| CG1 | CB1 | sing | 1.53Å | 1.52Å | |
| C1 | N2 | doub | 1.30Å | 1.34Å | |
| CB1 | OG1 | sing | 1.43Å | 1.40Å | |
| CA2 | N2 | sing | 1.37Å | 1.38Å | |
| CA2 | CB2 | doub | 1.38Å | 1.36Å | |
| CB2 | CG2 | sing | 1.47Å | 1.53Å | |
| CG2 | CD1 | doub | 1.40Å | 1.39Å | Aromatic |
| CG2 | CD2 | sing | 1.40Å | 1.38Å | Aromatic |
| CD1 | CE1 | sing | 1.37Å | 1.39Å | Aromatic |
| CD2 | CE2 | doub | 1.37Å | 1.38Å | Aromatic |
| CE1 | CZ | doub | 1.40Å | 1.39Å | Aromatic |
| CE2 | CZ | sing | 1.40Å | 1.38Å | Aromatic |
| CZ | CN | sing | 1.43Å | 1.52Å | |
| CN | N40 | trip | 1.14Å | 1.13Å | |
| N1 | H | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CB1 | H8 | sing | 1.09Å | 1.10Å | |
| CB2 | H9 | sing | 1.08Å | 1.08Å | |
| CG1 | HG21 | sing | 1.09Å | 1.10Å | |
| CG1 | HG22 | sing | 1.09Å | 1.10Å | |
| CG1 | HG23 | sing | 1.09Å | 1.10Å | |
| OG1 | HG1 | sing | 0.97Å | 0.95Å | |
| CD1 | H14 | sing | 1.08Å | 1.08Å | |
| CD2 | H15 | sing | 1.08Å | 1.08Å | |
| CE1 | H16 | sing | 1.08Å | 1.08Å | |
| CE2 | H17 | sing | 1.08Å | 1.08Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| C3 | OXT | sing | 1.34Å | 1.31Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C3 | CA3 | 106.0° | 120.0° |
| O3 | C3 | OXT | 117.4° | 120.0° |
| C3 | CA3 | N3 | 115.2° | 109.4° |
| C3 | CA3 | HA31 | 108.0° | 109.5° |
| C3 | CA3 | HA32 | 108.0° | 109.4° |
| CA3 | C3 | OXT | 130.5° | 120.0° |
| CA3 | N3 | C2 | 127.7° | 125.8° |
| CA3 | N3 | C1 | 125.1° | 125.9° |
| N3 | CA3 | HA31 | 108.0° | 109.5° |
| N3 | CA3 | HA32 | 108.0° | 109.5° |
| C2 | N3 | C1 | 107.1° | 108.4° |
| N3 | C2 | O2 | 126.6° | 127.4° |
| N3 | C2 | CA2 | 103.0° | 105.2° |
| N3 | C1 | CA1 | 119.0° | 124.3° |
| N3 | C1 | N2 | 111.4° | 111.4° |
| O2 | C2 | CA2 | 130.3° | 127.4° |
| N1 | CA1 | C1 | 107.6° | 109.4° |
| N1 | CA1 | CB1 | 113.4° | 109.5° |
| CA1 | N1 | H | 109.5° | 111.0° |
| CA1 | N1 | H2 | 109.5° | 111.0° |
| N1 | CA1 | HA1 | 109.1° | 109.5° |
| C1 | CA1 | CB1 | 110.5° | 109.5° |
| CA1 | C1 | N2 | 129.6° | 124.3° |
| C1 | CA1 | HA1 | 108.1° | 109.5° |
| CA1 | CB1 | CG1 | 108.8° | 109.5° |
| CA1 | CB1 | OG1 | 112.3° | 109.5° |
| CB1 | CA1 | HA1 | 108.0° | 109.5° |
| CA1 | CB1 | H8 | 108.8° | 109.5° |
| C2 | CA2 | N2 | 107.3° | 105.7° |
| C2 | CA2 | CB2 | 122.3° | 127.1° |
| CG1 | CB1 | OG1 | 107.4° | 109.5° |
| CG1 | CB1 | H8 | 108.9° | 109.5° |
| CB1 | CG1 | HG21 | 109.5° | 109.5° |
| CB1 | CG1 | HG22 | 109.5° | 109.5° |
| CB1 | CG1 | HG23 | 109.5° | 109.5° |
| C1 | N2 | CA2 | 111.2° | 109.3° |
| OG1 | CB1 | H8 | 110.6° | 109.5° |
| CB1 | OG1 | HG1 | 109.5° | 114.0° |
| N2 | CA2 | CB2 | 130.4° | 127.2° |
| CA2 | CB2 | CG2 | 127.4° | 120.0° |
| CA2 | CB2 | H9 | 116.3° | 120.0° |
| CB2 | CG2 | CD1 | 123.6° | 120.0° |
| CB2 | CG2 | CD2 | 116.2° | 120.0° |
| CG2 | CB2 | H9 | 116.3° | 120.1° |
| CD1 | CG2 | CD2 | 120.2° | 120.0° |
| CG2 | CD1 | CE1 | 119.5° | 119.9° |
| CG2 | CD1 | H14 | 120.2° | 120.0° |
| CG2 | CD2 | CE2 | 120.8° | 119.9° |
| CG2 | CD2 | H15 | 119.6° | 120.1° |
| CD1 | CE1 | CZ | 119.3° | 120.1° |
| CE1 | CD1 | H14 | 120.3° | 120.0° |
| CD1 | CE1 | H16 | 120.3° | 120.0° |
| CD2 | CE2 | CZ | 118.9° | 120.0° |
| CE2 | CD2 | H15 | 119.6° | 120.0° |
| CD2 | CE2 | H17 | 120.5° | 120.0° |
| CE1 | CZ | CE2 | 121.3° | 120.1° |
| CE1 | CZ | CN | 121.4° | 120.0° |
| CZ | CE1 | H16 | 120.4° | 119.9° |
| CE2 | CZ | CN | 117.3° | 119.9° |
| CZ | CE2 | H17 | 120.6° | 120.0° |
| CZ | CN | N40 | 178.0° | 180.0° |
| H | N1 | H2 | 109.4° | 111.0° |
| HG21 | CG1 | HG22 | 109.5° | 109.5° |
| HG21 | CG1 | HG23 | 109.5° | 109.5° |
| HG22 | CG1 | HG23 | 109.4° | 109.5° |
| HA31 | CA3 | HA32 | 109.5° | 109.5° |
| C3 | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C3 | CA3 | OXT | 150.8° | 179.9° |
| O3 | C3 | CA3 | N3 | 137.9° | 0.1° |
| O3 | C3 | CA3 | HA31 | 101.2° | 120.0° |
| O3 | C3 | CA3 | HA32 | 17.1° | 120.0° |
| O3 | C3 | OXT | HXT | 0.0° | 0.0° |
| C3 | CA3 | N3 | HA31 | 120.8° | 120.0° |
| C3 | CA3 | N3 | HA32 | 120.8° | 119.9° |
| C3 | CA3 | N3 | C2 | 87.4° | 90.0° |
| C3 | CA3 | N3 | C1 | 96.7° | 90.0° |
| C3 | CA3 | HA31 | HA32 | 117.4° | 120.0° |
| CA3 | C3 | OXT | HXT | 148.1° | 180.0° |
| CA3 | N3 | C2 | C1 | 176.5° | 180.0° |
| CA3 | N3 | C2 | O2 | 3.3° | 0.2° |
| CA3 | N3 | C1 | CA1 | 1.6° | 0.0° |
| CA3 | N3 | C2 | CA2 | 177.7° | 179.9° |
| CA3 | N3 | C1 | N2 | 178.3° | 179.7° |
| N3 | CA3 | HA31 | HA32 | 117.4° | 120.0° |
| N3 | CA3 | C3 | OXT | 12.9° | 180.0° |
| N3 | C2 | O2 | CA2 | 178.8° | 179.9° |
| C2 | N3 | C1 | CA1 | 178.2° | 180.0° |
| C2 | N3 | C1 | N2 | 1.7° | 0.3° |
| N3 | C2 | CA2 | N2 | 0.4° | 0.0° |
| N3 | C2 | CA2 | CB2 | 179.5° | 180.0° |
| C2 | N3 | CA3 | HA31 | 151.7° | 30.0° |
| C2 | N3 | CA3 | HA32 | 33.4° | 150.1° |
| C1 | N3 | C2 | O2 | 179.8° | 179.8° |
| N3 | C1 | CA1 | N1 | 81.1° | 144.7° |
| N3 | C1 | CA1 | N2 | 179.8° | 179.7° |
| N3 | C1 | CA1 | CB1 | 154.5° | 95.3° |
| C1 | N3 | C2 | CA2 | 1.2° | 0.2° |
| N3 | C1 | N2 | CA2 | 1.4° | 0.3° |
| N3 | C1 | CA1 | HA1 | 36.6° | 24.7° |
| C1 | N3 | CA3 | HA31 | 24.2° | 150.0° |
| C1 | N3 | CA3 | HA32 | 142.5° | 29.9° |
| O2 | C2 | CA2 | N2 | 179.4° | 179.9° |
| O2 | C2 | CA2 | CB2 | 0.5° | 0.1° |
| N1 | CA1 | C1 | CB1 | 124.4° | 120.0° |
| N1 | CA1 | C1 | HA1 | 117.7° | 119.9° |
| N1 | CA1 | CB1 | HA1 | 121.0° | 120.0° |
| N1 | CA1 | CB1 | CG1 | 58.4° | 55.0° |
| N1 | CA1 | C1 | N2 | 98.7° | 35.0° |
| N1 | CA1 | CB1 | OG1 | 60.4° | 65.0° |
| CA1 | N1 | H | H2 | 120.0° | 123.9° |
| N1 | CA1 | CB1 | H8 | 176.9° | 175.0° |
| C1 | CA1 | CB1 | HA1 | 118.0° | 120.0° |
| C1 | CA1 | CB1 | CG1 | 179.4° | 175.0° |
| C1 | CA1 | CB1 | OG1 | 60.6° | 55.0° |
| CA1 | C1 | N2 | CA2 | 178.4° | 180.0° |
| C1 | CA1 | N1 | H | 180.0° | 63.9° |
| C1 | CA1 | N1 | H2 | 60.0° | 60.1° |
| C1 | CA1 | CB1 | H8 | 62.2° | 65.0° |
| CA1 | CB1 | CG1 | OG1 | 121.8° | 120.0° |
| CA1 | CB1 | CG1 | H8 | 118.4° | 120.0° |
| CB1 | CA1 | C1 | N2 | 25.6° | 85.0° |
| CA1 | CB1 | OG1 | H8 | 121.7° | 120.0° |
| CB1 | CA1 | N1 | H | 57.4° | 176.1° |
| CB1 | CA1 | N1 | H2 | 177.4° | 59.9° |
| CA1 | CB1 | CG1 | HG21 | 180.0° | 60.0° |
| CA1 | CB1 | CG1 | HG22 | 60.0° | 60.0° |
| CA1 | CB1 | CG1 | HG23 | 60.0° | 180.0° |
| CA1 | CB1 | OG1 | HG1 | 180.0° | 180.0° |
| C2 | CA2 | N2 | C1 | 0.6° | 0.2° |
| C2 | CA2 | N2 | CB2 | 179.9° | 180.0° |
| C2 | CA2 | CB2 | CG2 | 172.0° | 174.8° |
| C2 | CA2 | CB2 | H9 | 8.0° | 5.1° |
| CG1 | CB1 | OG1 | H8 | 118.7° | 120.0° |
| CG1 | CB1 | CA1 | HA1 | 62.6° | 65.0° |
| CB1 | CG1 | HG21 | HG22 | 120.0° | 120.0° |
| CB1 | CG1 | HG21 | HG23 | 120.0° | 120.0° |
| CB1 | CG1 | HG22 | HG23 | 120.0° | 120.0° |
| CG1 | CB1 | OG1 | HG1 | 60.4° | 60.0° |
| C1 | N2 | CA2 | CB2 | 179.5° | 179.8° |
| N2 | C1 | CA1 | HA1 | 143.6° | 155.0° |
| OG1 | CB1 | CA1 | HA1 | 178.6° | 175.0° |
| OG1 | CB1 | CG1 | HG21 | 58.2° | 180.0° |
| OG1 | CB1 | CG1 | HG22 | 178.2° | 60.0° |
| OG1 | CB1 | CG1 | HG23 | 61.9° | 60.0° |
| N2 | CA2 | CB2 | CG2 | 8.1° | 5.2° |
| N2 | CA2 | CB2 | H9 | 171.9° | 174.8° |
| CA2 | CB2 | CG2 | H9 | 180.0° | 179.9° |
| CA2 | CB2 | CG2 | CD1 | 4.1° | 6.0° |
| CA2 | CB2 | CG2 | CD2 | 176.8° | 173.7° |
| CB2 | CG2 | CD1 | CD2 | 179.1° | 179.7° |
| CB2 | CG2 | CD1 | CE1 | 179.7° | 180.0° |
| CB2 | CG2 | CD2 | CE2 | 179.6° | 180.0° |
| CB2 | CG2 | CD1 | H14 | 0.3° | 0.0° |
| CB2 | CG2 | CD2 | H15 | 0.4° | 0.0° |
| CG2 | CD1 | CE1 | H14 | 180.0° | 180.0° |
| CD1 | CG2 | CD2 | CE2 | 0.4° | 0.3° |
| CG2 | CD1 | CE1 | CZ | 0.6° | 0.1° |
| CD1 | CG2 | CB2 | H9 | 175.9° | 174.0° |
| CD1 | CG2 | CD2 | H15 | 179.6° | 179.7° |
| CG2 | CD1 | CE1 | H16 | 179.4° | 180.0° |
| CD2 | CG2 | CD1 | CE1 | 0.6° | 0.3° |
| CG2 | CD2 | CE2 | H15 | 180.0° | 179.9° |
| CG2 | CD2 | CE2 | CZ | 0.2° | 0.0° |
| CD2 | CG2 | CB2 | H9 | 3.3° | 6.3° |
| CD2 | CG2 | CD1 | H14 | 179.4° | 179.7° |
| CG2 | CD2 | CE2 | H17 | 179.8° | 179.9° |
| CD1 | CE1 | CZ | H16 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 0.5° | 0.4° |
| CD1 | CE1 | CZ | CN | 179.8° | 179.9° |
| CD2 | CE2 | CZ | CE1 | 0.2° | 0.3° |
| CD2 | CE2 | CZ | H17 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | CN | 180.0° | 180.0° |
| CE1 | CZ | CE2 | CN | 179.8° | 179.7° |
| CE1 | CZ | CN | N40 | 166.4° | 9.5° |
| CZ | CE1 | CD1 | H14 | 179.4° | 180.0° |
| CE1 | CZ | CE2 | H17 | 179.8° | 179.7° |
| CE2 | CZ | CN | N40 | 13.8° | 170.3° |
| CZ | CE2 | CD2 | H15 | 179.8° | 180.0° |
| CE2 | CZ | CE1 | H16 | 179.5° | 179.7° |
| CN | CZ | CE1 | H16 | 0.2° | 0.0° |
| CN | CZ | CE2 | H17 | 0.0° | 0.0° |
| H | N1 | CA1 | HA1 | 63.0° | 56.0° |
| H2 | N1 | CA1 | HA1 | 57.0° | 180.0° |
| HA1 | CA1 | CB1 | H8 | 55.8° | 55.0° |
| H8 | CB1 | CG1 | HG21 | 61.6° | 60.0° |
| H8 | CB1 | CG1 | HG22 | 58.4° | 180.0° |
| H8 | CB1 | CG1 | HG23 | 178.3° | 60.0° |
| H8 | CB1 | OG1 | HG1 | 58.3° | 60.0° |
| HG21 | CG1 | HG22 | HG23 | 120.0° | 120.0° |
| H14 | CD1 | CE1 | H16 | 0.6° | 0.1° |
| H15 | CD2 | CE2 | H17 | 0.2° | 0.0° |
| HA31 | CA3 | C3 | OXT | 108.0° | 59.9° |
| HA32 | CA3 | C3 | OXT | 133.7° | 60.1° |
