IEZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CE1 | CD1 | doub | 1.38Å | 1.40Å | Aromatic |
| CE1 | CZ | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CG | sing | 1.38Å | 1.40Å | Aromatic |
| FAX | CZ | sing | 1.35Å | 1.40Å | |
| CZ | CE2 | doub | 1.38Å | 1.40Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.55Å | |
| CG | CD2 | doub | 1.38Å | 1.40Å | Aromatic |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CE2 | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| OXT | C | doub | 1.21Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.55Å | |
| C | O | sing | 1.34Å | 1.25Å | |
| CA | N | sing | 1.46Å | 1.48Å | |
| N | CAL | sing | 1.35Å | 1.35Å | |
| C6 | N5 | doub | 1.32Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| N5 | C4A | sing | 1.33Å | 1.35Å | Aromatic |
| O4 | C4 | doub | 1.22Å | 1.23Å | |
| CAL | C7 | sing | 1.48Å | 1.40Å | |
| CAL | OAQ | doub | 1.22Å | 1.23Å | |
| C7 | N8 | doub | 1.33Å | 1.35Å | Aromatic |
| C4A | C4 | sing | 1.48Å | 1.40Å | |
| C4A | C8A | doub | 1.42Å | 1.40Å | Aromatic |
| C4 | N3 | sing | 1.35Å | 1.40Å | |
| N8 | C8A | sing | 1.33Å | 1.35Å | Aromatic |
| C8A | N1 | sing | 1.35Å | 1.34Å | |
| N3 | C2 | sing | 1.36Å | 1.39Å | |
| N1 | C2 | doub | 1.31Å | 1.35Å | |
| C2 | N2 | sing | 1.37Å | 1.32Å | |
| CD1 | H1 | sing | 1.08Å | 1.08Å | |
| CE1 | H2 | sing | 1.08Å | 1.08Å | |
| CE2 | H3 | sing | 1.08Å | 1.08Å | |
| CD2 | H4 | sing | 1.08Å | 1.08Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CA | H7 | sing | 1.09Å | 1.10Å | |
| O | H8 | sing | 0.97Å | 0.95Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| C6 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD1 | CE1 | CZ | 119.7° | 120.0° |
| CE1 | CD1 | CG | 120.2° | 120.0° |
| CE1 | CD1 | H1 | 119.9° | 120.0° |
| CD1 | CE1 | H2 | 120.1° | 120.0° |
| CE1 | CZ | FAX | 119.6° | 120.1° |
| CE1 | CZ | CE2 | 120.4° | 119.9° |
| CZ | CE1 | H2 | 120.2° | 120.0° |
| CD1 | CG | CB | 119.3° | 120.0° |
| CD1 | CG | CD2 | 119.9° | 120.0° |
| CG | CD1 | H1 | 119.9° | 120.0° |
| FAX | CZ | CE2 | 120.0° | 120.0° |
| CZ | CE2 | CD2 | 119.7° | 120.0° |
| CZ | CE2 | H3 | 120.1° | 120.0° |
| CB | CG | CD2 | 120.8° | 120.0° |
| CG | CB | CA | 112.1° | 109.5° |
| CG | CB | H5 | 108.8° | 109.5° |
| CG | CB | H6 | 108.8° | 109.4° |
| CG | CD2 | CE2 | 120.0° | 120.0° |
| CG | CD2 | H4 | 120.0° | 119.9° |
| CB | CA | C | 109.5° | 109.5° |
| CB | CA | N | 111.2° | 109.5° |
| CA | CB | H5 | 108.8° | 109.5° |
| CA | CB | H6 | 108.8° | 109.5° |
| CB | CA | H7 | 108.8° | 109.5° |
| CD2 | CE2 | H3 | 120.1° | 120.0° |
| CE2 | CD2 | H4 | 120.0° | 120.1° |
| OXT | C | CA | 118.0° | 120.0° |
| OXT | C | O | 124.9° | 120.0° |
| CA | C | O | 117.0° | 120.0° |
| C | CA | N | 109.3° | 109.4° |
| C | CA | H7 | 108.6° | 109.5° |
| C | O | H8 | 109.5° | 117.0° |
| CA | N | CAL | 121.4° | 120.0° |
| N | CA | H7 | 109.4° | 109.5° |
| CA | N | H9 | 119.3° | 120.0° |
| N | CAL | C7 | 117.6° | 120.1° |
| N | CAL | OAQ | 121.2° | 120.0° |
| CAL | N | H9 | 119.4° | 120.0° |
| N5 | C6 | C7 | 119.8° | 120.4° |
| C6 | N5 | C4A | 120.2° | 119.7° |
| N5 | C6 | H13 | 120.1° | 119.8° |
| C6 | C7 | CAL | 123.2° | 119.8° |
| C6 | C7 | N8 | 118.2° | 120.5° |
| C7 | C6 | H13 | 120.1° | 119.8° |
| N5 | C4A | C4 | 122.1° | 121.6° |
| N5 | C4A | C8A | 119.0° | 120.3° |
| O4 | C4 | C4A | 122.0° | 121.3° |
| O4 | C4 | N3 | 118.7° | 121.2° |
| C7 | CAL | OAQ | 120.0° | 120.0° |
| CAL | C7 | N8 | 118.5° | 119.7° |
| C7 | N8 | C8A | 122.1° | 119.6° |
| C4 | C4A | C8A | 118.9° | 118.1° |
| C4A | C4 | N3 | 119.4° | 117.4° |
| C4A | C8A | N8 | 120.6° | 119.5° |
| C4A | C8A | N1 | 120.1° | 119.1° |
| C4 | N3 | C2 | 119.1° | 120.5° |
| C4 | N3 | H12 | 120.5° | 119.8° |
| N8 | C8A | N1 | 119.3° | 121.4° |
| C8A | N1 | C2 | 122.1° | 121.8° |
| N3 | C2 | N1 | 120.4° | 123.1° |
| N3 | C2 | N2 | 119.2° | 118.5° |
| C2 | N3 | H12 | 120.5° | 119.7° |
| N1 | C2 | N2 | 120.4° | 118.4° |
| C2 | N2 | H10 | 120.0° | 120.1° |
| C2 | N2 | H11 | 120.0° | 120.0° |
| H5 | CB | H6 | 109.5° | 109.4° |
| H10 | N2 | H11 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD1 | CE1 | CZ | H2 | 180.0° | 180.0° |
| CE1 | CD1 | CG | H1 | 180.0° | 179.7° |
| CD1 | CE1 | CZ | FAX | 179.7° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.2° | 0.1° |
| CE1 | CD1 | CG | CB | 179.5° | 179.8° |
| CE1 | CD1 | CG | CD2 | 0.4° | 0.1° |
| CZ | CE1 | CD1 | CG | 0.3° | 0.0° |
| CE1 | CZ | FAX | CE2 | 179.9° | 180.0° |
| CE1 | CZ | CE2 | CD2 | 0.1° | 0.1° |
| CZ | CE1 | CD1 | H1 | 179.7° | 179.7° |
| CE1 | CZ | CE2 | H3 | 179.9° | 180.0° |
| CD1 | CG | CB | CD2 | 179.9° | 179.8° |
| CD1 | CG | CB | CA | 107.2° | 89.9° |
| CD1 | CG | CD2 | CE2 | 0.3° | 0.0° |
| CG | CD1 | CE1 | H2 | 179.7° | 180.0° |
| CD1 | CG | CD2 | H4 | 179.7° | 180.0° |
| CD1 | CG | CB | H5 | 13.2° | 150.0° |
| CD1 | CG | CB | H6 | 132.4° | 30.1° |
| FAX | CZ | CE2 | CD2 | 179.8° | 180.0° |
| FAX | CZ | CE1 | H2 | 0.3° | 0.0° |
| FAX | CZ | CE2 | H3 | 0.2° | 0.0° |
| CZ | CE2 | CD2 | CG | 0.2° | 0.0° |
| CZ | CE2 | CD2 | H3 | 180.0° | 179.9° |
| CE2 | CZ | CE1 | H2 | 179.8° | 180.0° |
| CZ | CE2 | CD2 | H4 | 179.8° | 179.9° |
| CG | CB | CA | H5 | 120.4° | 120.0° |
| CG | CB | CA | H6 | 120.4° | 120.0° |
| CB | CG | CD2 | CE2 | 179.6° | 179.8° |
| CG | CB | CA | C | 57.4° | 175.0° |
| CG | CB | CA | N | 178.2° | 65.0° |
| CB | CG | CD1 | H1 | 0.5° | 0.1° |
| CB | CG | CD2 | H4 | 0.4° | 0.2° |
| CG | CB | H5 | H6 | 118.8° | 119.9° |
| CG | CB | CA | H7 | 61.2° | 55.0° |
| CD2 | CG | CB | CA | 72.9° | 90.2° |
| CG | CD2 | CE2 | H4 | 180.0° | 180.0° |
| CD2 | CG | CD1 | H1 | 179.6° | 179.7° |
| CG | CD2 | CE2 | H3 | 179.8° | 179.9° |
| CD2 | CG | CB | H5 | 166.7° | 29.8° |
| CD2 | CG | CB | H6 | 47.5° | 149.7° |
| CB | CA | C | OXT | 82.8° | 120.0° |
| CB | CA | C | N | 122.0° | 120.0° |
| CB | CA | C | H7 | 118.7° | 120.0° |
| CB | CA | C | O | 95.9° | 60.0° |
| CB | CA | N | H7 | 120.2° | 120.0° |
| CB | CA | N | CAL | 158.4° | 155.0° |
| CA | CB | H5 | H6 | 118.8° | 120.0° |
| CB | CA | N | H9 | 21.6° | 24.9° |
| OXT | C | CA | O | 178.7° | 180.0° |
| OXT | C | CA | N | 39.2° | 0.0° |
| OXT | C | CA | H7 | 158.5° | 120.0° |
| OXT | C | O | H8 | 0.0° | 0.1° |
| C | CA | N | H7 | 118.7° | 120.0° |
| C | CA | N | CAL | 80.5° | 85.1° |
| C | CA | CB | H5 | 63.0° | 55.0° |
| C | CA | CB | H6 | 177.7° | 65.0° |
| CA | C | O | H8 | 178.6° | 180.0° |
| C | CA | N | H9 | 99.5° | 95.0° |
| O | C | CA | N | 142.1° | 180.0° |
| O | C | CA | H7 | 22.8° | 60.0° |
| CA | N | CAL | H9 | 180.0° | 179.9° |
| CA | N | CAL | C7 | 172.0° | 180.0° |
| CA | N | CAL | OAQ | 4.4° | 0.1° |
| N | CA | CB | H5 | 57.8° | 174.9° |
| N | CA | CB | H6 | 61.4° | 55.0° |
| N | CAL | C7 | C6 | 14.5° | 179.8° |
| N | CAL | C7 | OAQ | 167.8° | 179.9° |
| N | CAL | C7 | N8 | 161.8° | 0.1° |
| CAL | N | CA | H7 | 38.2° | 34.9° |
| N5 | C6 | C7 | H13 | 180.0° | 179.4° |
| N5 | C6 | C7 | CAL | 177.0° | 179.7° |
| N5 | C6 | C7 | N8 | 0.6° | 0.6° |
| C6 | N5 | C4A | C4 | 179.3° | 179.8° |
| C6 | N5 | C4A | C8A | 0.2° | 0.3° |
| C7 | C6 | N5 | C4A | 0.5° | 0.5° |
| C6 | C7 | CAL | N8 | 176.3° | 179.7° |
| C6 | C7 | CAL | OAQ | 177.7° | 0.3° |
| C6 | C7 | N8 | C8A | 0.5° | 0.3° |
| N5 | C4A | C4 | O4 | 1.1° | 0.1° |
| N5 | C4A | C4 | C8A | 179.5° | 179.9° |
| N5 | C4A | C4 | N3 | 179.8° | 180.0° |
| N5 | C4A | C8A | N8 | 0.0° | 0.0° |
| N5 | C4A | C8A | N1 | 179.4° | 180.0° |
| C4A | N5 | C6 | H13 | 179.5° | 180.0° |
| O4 | C4 | C4A | N3 | 178.7° | 179.9° |
| O4 | C4 | C4A | C8A | 179.4° | 180.0° |
| O4 | C4 | N3 | C2 | 179.3° | 180.0° |
| O4 | C4 | N3 | H12 | 0.7° | 0.0° |
| CAL | C7 | N8 | C8A | 177.0° | 180.0° |
| C7 | CAL | N | H9 | 8.0° | 0.1° |
| CAL | C7 | C6 | H13 | 3.0° | 0.3° |
| OAQ | CAL | C7 | N8 | 6.0° | 180.0° |
| OAQ | CAL | N | H9 | 175.6° | 180.0° |
| C7 | N8 | C8A | C4A | 0.2° | 0.1° |
| C7 | N8 | C8A | N1 | 179.3° | 179.9° |
| N8 | C7 | C6 | H13 | 179.3° | 180.0° |
| C4 | C4A | C8A | N8 | 179.4° | 180.0° |
| C4 | C4A | C8A | N1 | 1.1° | 0.0° |
| C4A | C4 | N3 | C2 | 0.6° | 0.1° |
| C4A | C4 | N3 | H12 | 179.4° | 180.0° |
| C8A | C4A | C4 | N3 | 0.7° | 0.0° |
| C4A | C8A | N8 | N1 | 179.5° | 180.0° |
| C4A | C8A | N1 | C2 | 1.4° | 0.0° |
| C4 | N3 | C2 | H12 | 180.0° | 180.0° |
| C4 | N3 | C2 | N1 | 0.8° | 0.1° |
| C4 | N3 | C2 | N2 | 179.6° | 180.0° |
| N8 | C8A | N1 | C2 | 179.2° | 180.0° |
| C8A | N1 | C2 | N3 | 1.2° | 0.1° |
| C8A | N1 | C2 | N2 | 179.2° | 180.0° |
| N3 | C2 | N1 | N2 | 179.6° | 179.9° |
| N3 | C2 | N2 | H10 | 179.6° | 179.9° |
| N3 | C2 | N2 | H11 | 0.4° | 0.0° |
| N1 | C2 | N2 | H10 | 0.0° | 0.0° |
| N1 | C2 | N2 | H11 | 180.0° | 179.9° |
| N1 | C2 | N3 | H12 | 179.2° | 179.9° |
| C2 | N2 | H10 | H11 | 180.0° | 179.9° |
| N2 | C2 | N3 | H12 | 0.4° | 0.0° |
| H1 | CD1 | CE1 | H2 | 0.3° | 0.3° |
| H3 | CE2 | CD2 | H4 | 0.2° | 0.0° |
| H5 | CB | CA | H7 | 178.4° | 65.0° |
| H6 | CB | CA | H7 | 59.2° | 175.0° |
| H7 | CA | N | H9 | 141.8° | 145.0° |
