2JJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.44Å | |
| CAG | CB | sing | 1.53Å | 1.49Å | |
| CAG | CAI | sing | 1.53Å | 1.49Å | |
| CA | CB | sing | 1.53Å | 1.49Å | |
| CA | C | sing | 1.51Å | 1.49Å | |
| OXT | C | doub | 1.21Å | 1.26Å | |
| CAI | PAL | sing | 1.82Å | 1.83Å | |
| C | O | sing | 1.34Å | 1.26Å | |
| OAE | PAL | doub | 1.48Å | 1.56Å | |
| PAL | OAC | sing | 1.61Å | 1.55Å | |
| PAL | OAF | sing | 1.61Å | 1.50Å | |
| OAC | H1 | sing | 0.97Å | 0.95Å | |
| OAF | H2 | sing | 0.97Å | 0.95Å | |
| CAI | H3 | sing | 1.09Å | 1.10Å | |
| CAI | H4 | sing | 1.09Å | 1.10Å | |
| CAG | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CA | H7 | sing | 1.09Å | 1.10Å | |
| N | H8 | sing | 1.01Å | 1.00Å | |
| N | H9 | sing | 1.01Å | 1.00Å | |
| O | H11 | sing | 0.97Å | 0.95Å | |
| CAG | H12 | sing | 1.09Å | 1.10Å | |
| CB | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | CB | 110.5° | 109.5° |
| N | CA | C | 110.1° | 109.4° |
| N | CA | H7 | 109.6° | 109.4° |
| CA | N | H8 | 109.5° | 111.0° |
| CA | N | H9 | 109.5° | 111.0° |
| CB | CAG | CAI | 117.5° | 109.4° |
| CAG | CB | CA | 118.3° | 109.4° |
| CB | CAG | H5 | 107.4° | 109.4° |
| CAG | CB | H6 | 107.2° | 109.5° |
| CB | CAG | H12 | 107.5° | 109.4° |
| CAG | CB | H13 | 107.2° | 109.5° |
| CAG | CAI | PAL | 118.8° | 109.5° |
| CAG | CAI | H3 | 107.1° | 109.5° |
| CAG | CAI | H4 | 107.1° | 109.5° |
| CAI | CAG | H5 | 107.5° | 109.5° |
| CAI | CAG | H12 | 107.4° | 109.5° |
| CB | CA | C | 108.7° | 109.5° |
| CA | CB | H6 | 107.2° | 109.5° |
| CB | CA | H7 | 108.9° | 109.5° |
| CA | CB | H13 | 107.2° | 109.4° |
| CA | C | OXT | 121.9° | 120.0° |
| CA | C | O | 119.7° | 119.9° |
| C | CA | H7 | 109.0° | 109.5° |
| OXT | C | O | 118.4° | 120.0° |
| CAI | PAL | OAE | 107.3° | 109.5° |
| CAI | PAL | OAC | 108.9° | 109.5° |
| CAI | PAL | OAF | 109.4° | 109.5° |
| PAL | CAI | H3 | 107.1° | 109.5° |
| PAL | CAI | H4 | 107.1° | 109.5° |
| C | O | H11 | 109.5° | 117.0° |
| OAE | PAL | OAC | 109.3° | 109.5° |
| OAE | PAL | OAF | 110.7° | 109.5° |
| OAC | PAL | OAF | 111.2° | 109.5° |
| PAL | OAC | H1 | 109.5° | 114.0° |
| PAL | OAF | H2 | 109.5° | 114.0° |
| H3 | CAI | H4 | 109.5° | 109.4° |
| H5 | CAG | H12 | 109.5° | 109.5° |
| H6 | CB | H13 | 109.5° | 109.5° |
| H8 | N | H9 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | CB | CAG | 79.5° | 65.0° |
| N | CA | CB | C | 121.0° | 120.0° |
| N | CA | CB | H7 | 120.4° | 120.0° |
| N | CA | C | H7 | 120.2° | 119.9° |
| N | CA | C | OXT | 10.7° | 20.0° |
| N | CA | C | O | 169.4° | 160.0° |
| N | CA | CB | H6 | 41.8° | 55.0° |
| CA | N | H8 | H9 | 120.0° | 123.9° |
| N | CA | CB | H13 | 159.3° | 175.0° |
| CB | CAG | CAI | H5 | 121.1° | 120.0° |
| CB | CAG | CAI | H12 | 121.2° | 119.9° |
| CAG | CB | CA | H6 | 121.2° | 120.0° |
| CAG | CB | CA | H13 | 121.3° | 120.0° |
| CAG | CB | CA | C | 159.6° | 175.0° |
| CB | CAG | CAI | PAL | 78.8° | 180.0° |
| CB | CAG | CAI | H3 | 42.6° | 59.9° |
| CB | CAG | CAI | H4 | 159.9° | 60.0° |
| CB | CAG | H5 | H12 | 116.4° | 120.0° |
| CAG | CB | H6 | H13 | 116.0° | 120.0° |
| CAG | CB | CA | H7 | 41.0° | 55.0° |
| CAI | CAG | CB | CA | 173.1° | 180.0° |
| CAG | CAI | PAL | H3 | 121.3° | 120.1° |
| CAG | CAI | PAL | H4 | 121.3° | 120.0° |
| CAG | CAI | PAL | OAE | 179.3° | 55.0° |
| CAG | CAI | PAL | OAC | 61.1° | 65.0° |
| CAG | CAI | PAL | OAF | 60.7° | 175.0° |
| CAG | CAI | H3 | H4 | 115.8° | 120.0° |
| CAI | CAG | H5 | H12 | 116.4° | 120.1° |
| CAI | CAG | CB | H6 | 65.6° | 60.0° |
| CAI | CAG | CB | H13 | 51.8° | 60.1° |
| CB | CA | C | H7 | 118.6° | 120.1° |
| CB | CA | C | OXT | 131.9° | 100.0° |
| CB | CA | C | O | 48.2° | 80.0° |
| CA | CB | CAG | H5 | 65.7° | 60.0° |
| CA | CB | H6 | H13 | 116.0° | 120.0° |
| CB | CA | N | H8 | 180.0° | 63.9° |
| CB | CA | N | H9 | 60.0° | 60.0° |
| CA | CB | CAG | H12 | 52.0° | 60.0° |
| CA | C | OXT | O | 179.9° | 180.0° |
| C | CA | CB | H6 | 79.2° | 65.0° |
| C | CA | N | H8 | 59.9° | 176.1° |
| C | CA | N | H9 | 179.9° | 60.0° |
| CA | C | O | H11 | 179.9° | 180.0° |
| C | CA | CB | H13 | 38.3° | 55.1° |
| OXT | C | CA | H7 | 109.5° | 139.9° |
| OXT | C | O | H11 | 0.0° | 0.0° |
| CAI | PAL | OAE | OAC | 117.9° | 120.0° |
| CAI | PAL | OAE | OAF | 119.3° | 120.0° |
| CAI | PAL | OAC | OAF | 120.6° | 120.0° |
| CAI | PAL | OAC | H1 | 116.9° | 60.0° |
| CAI | PAL | OAF | H2 | 118.0° | 180.0° |
| PAL | CAI | H3 | H4 | 115.8° | 120.0° |
| PAL | CAI | CAG | H5 | 160.1° | 60.0° |
| PAL | CAI | CAG | H12 | 42.4° | 60.1° |
| O | C | CA | H7 | 70.4° | 40.0° |
| OAE | PAL | OAC | OAF | 122.4° | 120.0° |
| OAE | PAL | OAC | H1 | 0.0° | 180.0° |
| OAE | PAL | OAF | H2 | 0.0° | 60.0° |
| OAE | PAL | CAI | H3 | 57.9° | 65.1° |
| OAE | PAL | CAI | H4 | 59.4° | 175.0° |
| OAC | PAL | OAF | H2 | 121.6° | 59.9° |
| OAC | PAL | CAI | H3 | 60.2° | 175.0° |
| OAC | PAL | CAI | H4 | 177.6° | 55.0° |
| OAF | PAL | OAC | H1 | 122.4° | 60.0° |
| OAF | PAL | CAI | H3 | 178.0° | 55.0° |
| OAF | PAL | CAI | H4 | 60.7° | 65.0° |
| H3 | CAI | CAG | H5 | 78.6° | 179.9° |
| H3 | CAI | CAG | H12 | 163.7° | 60.0° |
| H4 | CAI | CAG | H5 | 38.8° | 60.0° |
| H4 | CAI | CAG | H12 | 78.9° | 179.9° |
| H5 | CAG | CB | H6 | 55.5° | 180.0° |
| H5 | CAG | CB | H13 | 173.0° | 59.9° |
| H6 | CB | CA | H7 | 162.2° | 175.0° |
| H6 | CB | CAG | H12 | 173.2° | 60.0° |
| H7 | CA | N | H8 | 60.0° | 56.1° |
| H7 | CA | N | H9 | 60.0° | 180.0° |
| H7 | CA | CB | H13 | 80.3° | 65.0° |
| H12 | CAG | CB | H13 | 69.3° | 180.0° |
