3K0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.25Å | |
| OE2 | CD | doub | 1.21Å | 1.25Å | |
| CD | OE1 | sing | 1.34Å | 1.24Å | |
| CD | CG | sing | 1.51Å | 1.54Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| C | CA | sing | 1.51Å | 1.56Å | |
| CG | CB | sing | 1.53Å | 1.54Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| CA | N | sing | 1.46Å | 1.51Å | |
| OAE | SAN | doub | 1.42Å | 1.52Å | |
| N | SAN | sing | 1.66Å | 1.67Å | |
| SAN | NAA | sing | 1.66Å | 1.57Å | |
| SAN | OAD | doub | 1.42Å | 1.49Å | |
| OE1 | H1 | sing | 0.97Å | 0.95Å | |
| CG | H2 | sing | 1.09Å | 1.10Å | |
| CG | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CA | H6 | sing | 1.09Å | 1.10Å | |
| OXT | H7 | sing | 0.97Å | 0.95Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| NAA | H9 | sing | 0.97Å | 1.00Å | |
| NAA | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 124.8° | 120.0° |
| O | C | CA | 115.0° | 120.0° |
| OE2 | CD | OE1 | 123.9° | 120.0° |
| OE2 | CD | CG | 119.7° | 120.0° |
| OE1 | CD | CG | 116.3° | 119.9° |
| CD | OE1 | H1 | 109.5° | 117.0° |
| CD | CG | CB | 114.7° | 109.4° |
| CD | CG | H2 | 108.1° | 109.5° |
| CD | CG | H3 | 108.2° | 109.4° |
| OXT | C | CA | 120.1° | 120.0° |
| C | OXT | H7 | 109.5° | 117.0° |
| C | CA | CB | 106.5° | 109.5° |
| C | CA | N | 110.9° | 109.5° |
| C | CA | H6 | 109.3° | 109.5° |
| CG | CB | CA | 112.3° | 109.4° |
| CB | CG | H2 | 108.2° | 109.5° |
| CB | CG | H3 | 108.1° | 109.5° |
| CG | CB | H4 | 108.7° | 109.5° |
| CG | CB | H5 | 108.8° | 109.5° |
| CB | CA | N | 110.7° | 109.5° |
| CA | CB | H4 | 108.8° | 109.5° |
| CA | CB | H5 | 108.8° | 109.5° |
| CB | CA | H6 | 109.4° | 109.5° |
| CA | N | SAN | 114.4° | 120.0° |
| N | CA | H6 | 110.0° | 109.5° |
| CA | N | H8 | 108.2° | 120.0° |
| OAE | SAN | N | 109.9° | 106.4° |
| OAE | SAN | NAA | 108.2° | 106.4° |
| OAE | SAN | OAD | 111.6° | 123.2° |
| N | SAN | NAA | 105.7° | 107.3° |
| N | SAN | OAD | 106.9° | 106.4° |
| SAN | N | H8 | 108.2° | 120.0° |
| NAA | SAN | OAD | 114.4° | 106.4° |
| SAN | NAA | H9 | 109.5° | 120.0° |
| SAN | NAA | H10 | 109.5° | 120.0° |
| H2 | CG | H3 | 109.5° | 109.5° |
| H4 | CB | H5 | 109.4° | 109.4° |
| H9 | NAA | H10 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 176.4° | 180.0° |
| O | C | CA | CB | 79.2° | 120.0° |
| O | C | CA | N | 160.3° | 0.0° |
| O | C | CA | H6 | 38.8° | 120.0° |
| O | C | OXT | H7 | 0.0° | 0.1° |
| OE2 | CD | OE1 | CG | 176.4° | 180.0° |
| OE2 | CD | CG | CB | 16.1° | 0.0° |
| OE2 | CD | OE1 | H1 | 0.0° | 0.0° |
| OE2 | CD | CG | H2 | 104.6° | 119.9° |
| OE2 | CD | CG | H3 | 136.9° | 120.0° |
| OE1 | CD | CG | CB | 167.3° | 180.0° |
| OE1 | CD | CG | H2 | 71.9° | 60.0° |
| OE1 | CD | CG | H3 | 46.6° | 60.0° |
| CD | CG | CB | H2 | 120.7° | 119.9° |
| CD | CG | CB | H3 | 120.8° | 120.0° |
| CD | CG | CB | CA | 168.5° | 180.0° |
| CG | CD | OE1 | H1 | 176.4° | 180.0° |
| CD | CG | H2 | H3 | 117.6° | 120.0° |
| CD | CG | CB | H4 | 71.1° | 60.0° |
| CD | CG | CB | H5 | 48.0° | 60.0° |
| OXT | C | CA | CB | 97.5° | 60.0° |
| OXT | C | CA | N | 23.0° | 180.0° |
| OXT | C | CA | H6 | 144.5° | 60.0° |
| C | CA | CB | CG | 66.4° | 175.0° |
| C | CA | CB | N | 120.6° | 120.0° |
| C | CA | CB | H6 | 118.0° | 120.0° |
| C | CA | N | H6 | 121.0° | 120.0° |
| C | CA | N | SAN | 75.7° | 95.0° |
| C | CA | CB | H4 | 173.2° | 54.9° |
| C | CA | CB | H5 | 54.0° | 65.0° |
| CA | C | OXT | H7 | 176.4° | 179.9° |
| C | CA | N | H8 | 45.0° | 85.0° |
| CG | CB | CA | H4 | 120.4° | 120.0° |
| CG | CB | CA | H5 | 120.4° | 120.0° |
| CG | CB | CA | N | 54.2° | 65.0° |
| CB | CG | H2 | H3 | 117.6° | 120.1° |
| CG | CB | H4 | H5 | 118.7° | 120.0° |
| CG | CB | CA | H6 | 175.6° | 55.0° |
| CB | CA | N | H6 | 121.0° | 120.0° |
| CB | CA | N | SAN | 166.3° | 145.0° |
| CA | CB | CG | H2 | 47.7° | 60.0° |
| CA | CB | CG | H3 | 70.7° | 60.1° |
| CA | CB | H4 | H5 | 118.7° | 120.0° |
| CB | CA | N | H8 | 72.9° | 35.0° |
| CA | N | SAN | OAE | 42.8° | 48.6° |
| CA | N | SAN | H8 | 120.8° | 180.0° |
| CA | N | SAN | NAA | 73.7° | 65.0° |
| CA | N | SAN | OAD | 164.1° | 178.5° |
| N | CA | CB | H4 | 66.2° | 175.0° |
| N | CA | CB | H5 | 174.7° | 55.0° |
| OAE | SAN | N | NAA | 116.6° | 113.5° |
| OAE | SAN | N | OAD | 121.2° | 132.9° |
| OAE | SAN | NAA | OAD | 125.1° | 132.9° |
| OAE | SAN | N | H8 | 77.9° | 131.5° |
| OAE | SAN | NAA | H9 | 180.0° | 113.6° |
| OAE | SAN | NAA | H10 | 60.0° | 66.4° |
| N | SAN | NAA | OAD | 117.3° | 113.6° |
| SAN | N | CA | H6 | 45.3° | 25.0° |
| N | SAN | NAA | H9 | 62.3° | 0.0° |
| N | SAN | NAA | H10 | 57.7° | 180.0° |
| NAA | SAN | N | H8 | 165.5° | 115.0° |
| SAN | NAA | H9 | H10 | 120.0° | 180.0° |
| OAD | SAN | N | H8 | 43.3° | 1.5° |
| OAD | SAN | NAA | H9 | 54.9° | 113.5° |
| OAD | SAN | NAA | H10 | 175.0° | 66.5° |
| H2 | CG | CB | H4 | 168.2° | 180.0° |
| H2 | CG | CB | H5 | 72.7° | 59.9° |
| H3 | CG | CB | H4 | 49.7° | 59.9° |
| H3 | CG | CB | H5 | 168.8° | 180.0° |
| H4 | CB | CA | H6 | 55.2° | 65.0° |
| H5 | CB | CA | H6 | 63.9° | 175.0° |
| H6 | CA | N | H8 | 166.0° | 155.0° |
