EMS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.22Å | 1.26Å | |
| C | OXT | sing | 1.35Å | 1.25Å | |
| C | CA | sing | 1.41Å | 1.52Å | |
| CB | CA | sing | 1.47Å | 1.55Å | |
| CB | CG | doub | 1.33Å | 1.34Å | |
| CA | N | doub | 1.34Å | 1.32Å | |
| CG | CD | sing | 1.51Å | 1.52Å | |
| N | C4A | sing | 1.31Å | 1.42Å | |
| CD | NE | sing | 1.46Å | 1.43Å | |
| O3P | P | doub | 1.48Å | 1.50Å | |
| O3 | C3 | sing | 1.36Å | 1.40Å | |
| C4A | C4 | doub | 1.41Å | 1.33Å | |
| O2P | P | sing | 1.61Å | 1.51Å | |
| NE | CZ | sing | 1.37Å | 1.43Å | |
| P | O4P | sing | 1.61Å | 1.65Å | |
| P | O1P | sing | 1.61Å | 1.51Å | |
| C3 | C4 | sing | 1.42Å | 1.37Å | |
| C3 | C2 | doub | 1.36Å | 1.39Å | |
| C4 | C5 | sing | 1.41Å | 1.35Å | |
| O4P | C5A | sing | 1.43Å | 1.40Å | |
| C2A | C2 | sing | 1.51Å | 1.53Å | |
| C2 | N1 | sing | 1.36Å | 1.35Å | |
| CZ | NH2 | doub | 1.30Å | 1.46Å | |
| CZ | NH1 | sing | 1.38Å | 1.25Å | |
| C5 | C5A | sing | 1.51Å | 1.53Å | |
| C5 | C6 | doub | 1.35Å | 1.38Å | |
| N1 | C6 | sing | 1.35Å | 1.35Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| CB | H2 | sing | 1.08Å | 1.08Å | |
| O3 | H4 | sing | 0.97Å | 0.95Å | |
| O1P | H5 | sing | 0.97Å | 0.95Å | |
| O2P | H6 | sing | 0.97Å | 0.95Å | |
| C2A | H7 | sing | 1.09Å | 1.10Å | |
| C2A | H8 | sing | 1.09Å | 1.10Å | |
| C2A | H9 | sing | 1.09Å | 1.10Å | |
| C4A | H10 | sing | 1.08Å | 1.08Å | |
| C5A | H12 | sing | 1.09Å | 1.10Å | |
| C5A | H13 | sing | 1.09Å | 1.10Å | |
| CG | H14 | sing | 1.08Å | 1.08Å | |
| CD | H16 | sing | 1.09Å | 1.10Å | |
| CD | H17 | sing | 1.09Å | 1.10Å | |
| NE | H18 | sing | 0.97Å | 1.00Å | |
| NH1 | H19 | sing | 0.97Å | 1.00Å | |
| NH1 | H20 | sing | 0.97Å | 1.00Å | |
| NH2 | H21 | sing | 0.97Å | 1.00Å | |
| OXT | H22 | sing | 0.97Å | 0.95Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 120.4° | 120.0° |
| O | C | CA | 122.2° | 120.0° |
| OXT | C | CA | 117.4° | 120.0° |
| C | OXT | H22 | 109.5° | 114.0° |
| C | CA | CB | 121.8° | 120.0° |
| C | CA | N | 116.8° | 120.0° |
| CA | CB | CG | 118.6° | 120.0° |
| CB | CA | N | 121.4° | 120.0° |
| CA | CB | H2 | 120.7° | 120.0° |
| CB | CG | CD | 118.2° | 120.0° |
| CG | CB | H2 | 120.7° | 120.0° |
| CB | CG | H14 | 120.9° | 120.0° |
| CA | N | C4A | 125.7° | 120.0° |
| CG | CD | NE | 110.1° | 109.5° |
| CD | CG | H14 | 120.9° | 120.0° |
| CG | CD | H16 | 109.3° | 109.5° |
| CG | CD | H17 | 109.3° | 109.4° |
| N | C4A | C4 | 119.9° | 120.0° |
| N | C4A | H10 | 120.0° | 120.0° |
| CD | NE | CZ | 117.7° | 120.0° |
| NE | CD | H16 | 109.3° | 109.5° |
| NE | CD | H17 | 109.3° | 109.4° |
| CD | NE | H18 | 121.2° | 120.0° |
| O3P | P | O2P | 111.9° | 109.5° |
| O3P | P | O4P | 107.3° | 109.5° |
| O3P | P | O1P | 113.0° | 109.5° |
| O3 | C3 | C4 | 123.1° | 120.4° |
| O3 | C3 | C2 | 116.7° | 120.4° |
| C3 | O3 | H4 | 109.5° | 114.0° |
| C4A | C4 | C3 | 123.7° | 120.7° |
| C4A | C4 | C5 | 117.6° | 120.7° |
| C4 | C4A | H10 | 120.0° | 120.0° |
| O2P | P | O4P | 108.4° | 109.4° |
| O2P | P | O1P | 110.0° | 109.5° |
| P | O2P | H6 | 109.5° | 114.0° |
| NE | CZ | NH2 | 119.9° | 120.0° |
| NE | CZ | NH1 | 119.3° | 120.0° |
| CZ | NE | H18 | 121.2° | 120.0° |
| O4P | P | O1P | 105.9° | 109.5° |
| P | O4P | C5A | 118.1° | 123.0° |
| P | O1P | H5 | 109.5° | 114.0° |
| C4 | C3 | C2 | 120.2° | 119.1° |
| C3 | C4 | C5 | 118.8° | 118.6° |
| C3 | C2 | C2A | 120.2° | 119.7° |
| C3 | C2 | N1 | 119.9° | 120.6° |
| C4 | C5 | C5A | 119.2° | 120.3° |
| C4 | C5 | C6 | 120.8° | 119.3° |
| O4P | C5A | C5 | 105.8° | 109.5° |
| O4P | C5A | H12 | 110.4° | 109.5° |
| O4P | C5A | H13 | 110.4° | 109.4° |
| C2A | C2 | N1 | 119.9° | 119.7° |
| C2 | C2A | H7 | 109.5° | 109.5° |
| C2 | C2A | H8 | 109.5° | 109.5° |
| C2 | C2A | H9 | 109.4° | 109.5° |
| C2 | N1 | C6 | 120.4° | 121.5° |
| C2 | N1 | H3 | 119.8° | 119.2° |
| NH2 | CZ | NH1 | 120.8° | 120.0° |
| CZ | NH2 | H21 | 112.0° | 120.0° |
| CZ | NH1 | H19 | 120.0° | 120.0° |
| CZ | NH1 | H20 | 120.0° | 120.0° |
| C5A | C5 | C6 | 120.0° | 120.3° |
| C5 | C5A | H12 | 110.4° | 109.5° |
| C5 | C5A | H13 | 110.4° | 109.5° |
| C5 | C6 | N1 | 119.9° | 120.8° |
| C5 | C6 | H1 | 120.0° | 119.6° |
| N1 | C6 | H1 | 120.0° | 119.6° |
| C6 | N1 | H3 | 119.8° | 119.3° |
| H7 | C2A | H8 | 109.4° | 109.4° |
| H7 | C2A | H9 | 109.5° | 109.5° |
| H8 | C2A | H9 | 109.5° | 109.4° |
| H12 | C5A | H13 | 109.5° | 109.5° |
| H16 | CD | H17 | 109.5° | 109.4° |
| H19 | NH1 | H20 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 179.9° | 180.0° |
| O | C | CA | CB | 4.9° | 5.9° |
| O | C | CA | N | 175.5° | 174.0° |
| O | C | OXT | H22 | 0.0° | 0.0° |
| OXT | C | CA | CB | 175.2° | 174.1° |
| OXT | C | CA | N | 4.3° | 6.0° |
| C | CA | CB | N | 179.5° | 179.9° |
| C | CA | CB | CG | 83.7° | 5.6° |
| C | CA | N | C4A | 179.2° | 174.6° |
| C | CA | CB | H2 | 96.3° | 174.4° |
| CA | C | OXT | H22 | 179.9° | 180.0° |
| CA | CB | CG | H2 | 180.0° | 179.9° |
| CA | CB | CG | CD | 153.6° | 174.3° |
| CB | CA | N | C4A | 1.3° | 5.3° |
| CA | CB | CG | H14 | 26.4° | 5.7° |
| CG | CB | CA | N | 95.8° | 174.4° |
| CB | CG | CD | H14 | 180.0° | 180.0° |
| CB | CG | CD | NE | 167.2° | 125.0° |
| CB | CG | CD | H16 | 72.7° | 114.9° |
| CB | CG | CD | H17 | 47.1° | 5.0° |
| CA | N | C4A | C4 | 178.0° | 175.0° |
| N | CA | CB | H2 | 84.2° | 5.7° |
| CA | N | C4A | H10 | 2.0° | 5.0° |
| CG | CD | NE | H16 | 120.1° | 120.1° |
| CG | CD | NE | H17 | 120.1° | 120.0° |
| CG | CD | NE | CZ | 122.9° | 180.0° |
| CD | CG | CB | H2 | 26.4° | 5.8° |
| CG | CD | H16 | H17 | 119.7° | 119.9° |
| CG | CD | NE | H18 | 57.1° | 0.1° |
| N | C4A | C4 | H10 | 180.0° | 180.0° |
| N | C4A | C4 | C3 | 11.5° | 0.0° |
| N | C4A | C4 | C5 | 167.2° | 180.0° |
| CD | NE | CZ | H18 | 180.0° | 179.9° |
| CD | NE | CZ | NH2 | 1.7° | 0.1° |
| CD | NE | CZ | NH1 | 179.5° | 180.0° |
| NE | CD | CG | H14 | 12.9° | 55.0° |
| NE | CD | H16 | H17 | 119.7° | 120.0° |
| O3P | P | O2P | O4P | 118.1° | 120.0° |
| O3P | P | O2P | O1P | 126.6° | 120.0° |
| O3P | P | O4P | O1P | 120.9° | 120.0° |
| O3P | P | O4P | C5A | 173.9° | 55.0° |
| O3P | P | O1P | H5 | 0.0° | 180.0° |
| O3P | P | O2P | H6 | 0.0° | 60.0° |
| O3 | C3 | C4 | C4A | 1.0° | 0.0° |
| O3 | C3 | C4 | C2 | 179.8° | 180.0° |
| O3 | C3 | C4 | C5 | 179.7° | 180.0° |
| O3 | C3 | C2 | C2A | 0.1° | 0.3° |
| O3 | C3 | C2 | N1 | 179.7° | 180.0° |
| C4A | C4 | C3 | C5 | 178.7° | 180.0° |
| C4A | C4 | C3 | C2 | 178.8° | 180.0° |
| C4A | C4 | C5 | C5A | 1.9° | 0.0° |
| C4A | C4 | C5 | C6 | 179.4° | 180.0° |
| O2P | P | O4P | O1P | 118.0° | 120.0° |
| O2P | P | O4P | C5A | 65.0° | 175.0° |
| O2P | P | O1P | H5 | 125.9° | 60.0° |
| NE | CZ | NH2 | NH1 | 178.8° | 180.0° |
| CZ | NE | CD | H16 | 117.0° | 59.9° |
| CZ | NE | CD | H17 | 2.8° | 60.1° |
| NE | CZ | NH1 | H19 | 178.8° | 0.0° |
| NE | CZ | NH1 | H20 | 1.2° | 180.0° |
| NE | CZ | NH2 | H21 | 178.8° | 180.0° |
| P | O4P | C5A | C5 | 173.2° | 180.0° |
| O4P | P | O1P | H5 | 117.1° | 60.0° |
| O4P | P | O2P | H6 | 118.2° | 180.0° |
| P | O4P | C5A | H12 | 53.8° | 60.0° |
| P | O4P | C5A | H13 | 67.3° | 60.0° |
| O1P | P | O4P | C5A | 53.0° | 65.0° |
| O1P | P | O2P | H6 | 126.5° | 60.0° |
| C4 | C3 | C2 | C2A | 179.9° | 179.7° |
| C4 | C3 | C2 | N1 | 0.1° | 0.0° |
| C3 | C4 | C5 | C5A | 179.4° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.0° |
| C4 | C3 | O3 | H4 | 180.0° | 180.0° |
| C3 | C4 | C4A | H10 | 168.4° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C3 | C2 | C2A | N1 | 179.8° | 179.7° |
| C3 | C2 | N1 | C6 | 0.6° | 0.0° |
| C2 | C3 | O3 | H4 | 0.2° | 0.0° |
| C3 | C2 | C2A | H7 | 180.0° | 179.7° |
| C3 | C2 | C2A | H8 | 60.0° | 60.3° |
| C3 | C2 | C2A | H9 | 60.0° | 59.7° |
| C3 | C2 | N1 | H3 | 179.4° | 180.0° |
| C4 | C5 | C5A | O4P | 80.4° | 180.0° |
| C4 | C5 | C5A | C6 | 178.8° | 180.0° |
| C4 | C5 | C6 | N1 | 1.1° | 0.0° |
| C4 | C5 | C6 | H1 | 178.9° | 180.0° |
| C5 | C4 | C4A | H10 | 12.8° | 0.0° |
| C4 | C5 | C5A | H12 | 39.0° | 60.0° |
| C4 | C5 | C5A | H13 | 160.1° | 60.0° |
| O4P | C5A | C5 | H12 | 119.4° | 120.0° |
| O4P | C5A | C5 | H13 | 119.4° | 120.0° |
| O4P | C5A | C5 | C6 | 98.4° | 0.0° |
| O4P | C5A | H12 | H13 | 121.7° | 120.0° |
| C2A | C2 | N1 | C6 | 179.6° | 179.7° |
| C2 | C2A | H7 | H8 | 120.0° | 120.0° |
| C2 | C2A | H7 | H9 | 120.0° | 120.1° |
| C2 | C2A | H8 | H9 | 120.0° | 120.0° |
| C2A | C2 | N1 | H3 | 0.4° | 0.3° |
| C2 | N1 | C6 | C5 | 1.1° | 0.0° |
| C2 | N1 | C6 | H3 | 180.0° | 180.0° |
| C2 | N1 | C6 | H1 | 178.9° | 180.0° |
| N1 | C2 | C2A | H7 | 0.2° | 0.1° |
| N1 | C2 | C2A | H8 | 120.1° | 120.0° |
| N1 | C2 | C2A | H9 | 119.8° | 120.0° |
| NH2 | CZ | NE | H18 | 178.3° | 180.0° |
| NH2 | CZ | NH1 | H19 | 0.0° | 180.0° |
| NH2 | CZ | NH1 | H20 | 180.0° | 0.0° |
| NH1 | CZ | NE | H18 | 0.6° | 0.1° |
| CZ | NH1 | H19 | H20 | 180.0° | 179.9° |
| NH1 | CZ | NH2 | H21 | 0.0° | 0.0° |
| C5A | C5 | C6 | N1 | 179.9° | 180.0° |
| C5A | C5 | C6 | H1 | 0.1° | 0.0° |
| C5 | C5A | H12 | H13 | 121.7° | 120.1° |
| C5 | C6 | N1 | H1 | 180.0° | 180.0° |
| C6 | C5 | C5A | H12 | 142.2° | 120.0° |
| C6 | C5 | C5A | H13 | 21.1° | 120.0° |
| C5 | C6 | N1 | H3 | 178.9° | 180.0° |
| H1 | C6 | N1 | H3 | 1.1° | 0.0° |
| H2 | CB | CG | H14 | 153.6° | 174.3° |
| H7 | C2A | H8 | H9 | 120.0° | 120.0° |
| H14 | CG | CD | H16 | 107.2° | 65.1° |
| H14 | CG | CD | H17 | 133.0° | 175.0° |
| H16 | CD | NE | H18 | 63.0° | 120.0° |
| H17 | CD | NE | H18 | 177.2° | 120.0° |
