6GL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP1 | PBN | doub | 1.48Å | 1.61Å | |
| N | CA | sing | 1.47Å | 1.43Å | |
| CB | CA | sing | 1.53Å | 1.49Å | |
| CB | CG | sing | 1.53Å | 1.55Å | |
| CD | CG | sing | 1.53Å | 1.50Å | |
| CD | OD | sing | 1.43Å | 1.44Å | |
| PBN | OD | sing | 1.61Å | 1.53Å | |
| PBN | OP2 | sing | 1.61Å | 1.47Å | |
| CA | C | sing | 1.51Å | 1.57Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| OP2 | H9 | sing | 0.97Å | 0.95Å | |
| CD | H10 | sing | 1.09Å | 1.10Å | |
| CD | H11 | sing | 1.09Å | 1.10Å | |
| CG | H12 | sing | 1.09Å | 1.10Å | |
| CG | H13 | sing | 1.09Å | 1.10Å | |
| CB | H14 | sing | 1.09Å | 1.10Å | |
| CB | H15 | sing | 1.09Å | 1.10Å | |
| CA | H16 | sing | 1.09Å | 1.10Å | |
| OXT | H17 | sing | 0.97Å | 0.95Å | |
| N | H18 | sing | 1.01Å | 1.00Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| PBN | OP3 | sing | 1.61Å | 64.33Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | PBN | OD | 111.0° | 109.5° |
| OP1 | PBN | OP2 | 113.9° | 109.5° |
| OP1 | PBN | OP3 | 41.0° | 109.4° |
| N | CA | CB | 110.1° | 109.5° |
| N | CA | C | 105.7° | 109.4° |
| N | CA | H16 | 111.9° | 109.5° |
| CA | N | H18 | 109.5° | 111.1° |
| CA | N | H1 | 109.4° | 111.0° |
| CA | CB | CG | 104.2° | 109.5° |
| CB | CA | C | 108.3° | 109.5° |
| CA | CB | H14 | 110.8° | 109.5° |
| CA | CB | H15 | 110.8° | 109.5° |
| CB | CA | H16 | 110.9° | 109.5° |
| CB | CG | CD | 107.3° | 109.5° |
| CB | CG | H12 | 110.0° | 109.5° |
| CB | CG | H13 | 110.0° | 109.5° |
| CG | CB | H14 | 110.8° | 109.5° |
| CG | CB | H15 | 110.8° | 109.5° |
| CG | CD | OD | 111.7° | 109.5° |
| CG | CD | H10 | 108.9° | 109.5° |
| CG | CD | H11 | 108.9° | 109.5° |
| CD | CG | H12 | 110.0° | 109.5° |
| CD | CG | H13 | 110.0° | 109.5° |
| CD | OD | PBN | 119.6° | 123.0° |
| OD | CD | H10 | 108.9° | 109.4° |
| OD | CD | H11 | 108.9° | 109.5° |
| OD | PBN | OP2 | 106.3° | 109.5° |
| OD | PBN | OP3 | 151.3° | 109.5° |
| PBN | OP2 | H9 | 109.5° | 114.0° |
| OP2 | PBN | OP3 | 94.6° | 109.5° |
| CA | C | O | 117.9° | 120.0° |
| CA | C | OXT | 117.0° | 119.9° |
| C | CA | H16 | 109.9° | 109.5° |
| O | C | OXT | 125.0° | 120.0° |
| C | OXT | H17 | 109.5° | 117.0° |
| H10 | CD | H11 | 109.5° | 109.4° |
| H12 | CG | H13 | 109.5° | 109.5° |
| H14 | CB | H15 | 109.5° | 109.4° |
| H18 | N | H1 | 109.5° | 110.9° |
| PBN | OP3 | HOP3 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | PBN | OD | CD | 51.7° | 55.0° |
| OP1 | PBN | OD | OP2 | 124.4° | 120.0° |
| OP1 | PBN | OD | OP3 | 10.7° | 120.0° |
| OP1 | PBN | OP2 | OP3 | 37.5° | 120.0° |
| OP1 | PBN | OP2 | H9 | 0.0° | 180.0° |
| OP1 | PBN | OP3 | HOP3 | 90.0° | 60.0° |
| N | CA | CB | C | 115.1° | 119.9° |
| N | CA | CB | H16 | 124.3° | 120.0° |
| N | CA | CB | CG | 177.7° | 65.0° |
| N | CA | C | H16 | 120.9° | 120.0° |
| N | CA | C | O | 46.3° | 20.0° |
| N | CA | C | OXT | 130.4° | 160.0° |
| N | CA | CB | H14 | 58.5° | 175.0° |
| N | CA | CB | H15 | 63.2° | 55.0° |
| CA | N | H18 | H1 | 120.0° | 124.0° |
| CA | CB | CG | H14 | 119.1° | 120.0° |
| CA | CB | CG | H15 | 119.2° | 120.0° |
| CA | CB | CG | CD | 172.6° | 180.0° |
| CB | CA | C | H16 | 121.3° | 120.0° |
| CB | CA | C | O | 71.6° | 100.0° |
| CB | CA | C | OXT | 111.7° | 80.0° |
| CA | CB | CG | H12 | 67.8° | 60.0° |
| CA | CB | CG | H13 | 52.9° | 60.0° |
| CA | CB | H14 | H15 | 122.5° | 120.0° |
| CB | CA | N | H18 | 180.0° | 59.9° |
| CB | CA | N | H1 | 60.0° | 64.0° |
| CB | CG | CD | H12 | 119.6° | 120.0° |
| CB | CG | CD | H13 | 119.7° | 120.0° |
| CB | CG | CD | OD | 157.6° | 180.0° |
| CG | CB | CA | C | 67.3° | 175.0° |
| CB | CG | CD | H10 | 82.0° | 60.0° |
| CB | CG | CD | H11 | 37.3° | 59.9° |
| CB | CG | H12 | H13 | 121.0° | 120.0° |
| CG | CB | H14 | H15 | 122.4° | 120.0° |
| CG | CB | CA | H16 | 53.3° | 55.0° |
| CG | CD | OD | H10 | 120.3° | 120.0° |
| CG | CD | OD | H11 | 120.3° | 120.1° |
| CG | CD | OD | PBN | 158.7° | 180.0° |
| CG | CD | H10 | H11 | 119.0° | 120.0° |
| CD | CG | H12 | H13 | 121.0° | 120.0° |
| CD | CG | CB | H14 | 53.4° | 60.0° |
| CD | CG | CB | H15 | 68.3° | 60.0° |
| CD | OD | PBN | OP2 | 176.1° | 65.0° |
| OD | CD | H10 | H11 | 119.0° | 120.0° |
| OD | CD | CG | H12 | 38.0° | 60.0° |
| OD | CD | CG | H13 | 82.7° | 60.0° |
| CD | OD | PBN | OP3 | 41.1° | 174.9° |
| OD | PBN | OP2 | OP3 | 160.1° | 120.1° |
| OD | PBN | OP2 | H9 | 122.6° | 60.0° |
| PBN | OD | CD | H10 | 38.4° | 60.0° |
| PBN | OD | CD | H11 | 80.9° | 60.0° |
| OD | PBN | OP3 | HOP3 | 90.0° | 180.0° |
| OP2 | PBN | OP3 | HOP3 | 90.0° | 60.0° |
| CA | C | O | OXT | 176.4° | 180.0° |
| C | CA | CB | H14 | 173.6° | 55.1° |
| C | CA | CB | H15 | 51.9° | 64.9° |
| CA | C | OXT | H17 | 176.4° | 180.0° |
| C | CA | N | H18 | 63.3° | 60.0° |
| C | CA | N | H1 | 56.7° | 176.1° |
| O | C | CA | H16 | 167.2° | 140.0° |
| O | C | OXT | H17 | 0.0° | 0.0° |
| OXT | C | CA | H16 | 9.5° | 40.0° |
| H9 | OP2 | PBN | OP3 | 37.5° | 60.1° |
| H10 | CD | CG | H12 | 158.3° | 180.0° |
| H10 | CD | CG | H13 | 37.6° | 60.0° |
| H11 | CD | CG | H12 | 82.3° | 60.0° |
| H11 | CD | CG | H13 | 157.0° | 180.0° |
| H12 | CG | CB | H14 | 173.1° | 180.0° |
| H12 | CG | CB | H15 | 51.4° | 60.0° |
| H13 | CG | CB | H14 | 66.2° | 60.0° |
| H13 | CG | CB | H15 | 172.1° | 180.0° |
| H14 | CB | CA | H16 | 65.8° | 65.0° |
| H15 | CB | CA | H16 | 172.5° | 175.1° |
| H16 | CA | N | H18 | 56.2° | 180.0° |
| H16 | CA | N | H1 | 176.2° | 56.1° |
