BBC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | doub | 1.28Å | 1.46Å | |
| N | H2 | sing | 0.97Å | 1.02Å | |
| CA | CB | sing | 1.51Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CB | SG | sing | 1.81Å | 1.81Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| SG | C05 | sing | 1.81Å | 1.83Å | |
| SG | O12 | doub | 1.42Å | 1.48Å | |
| C05 | C08 | sing | 1.53Å | 1.54Å | |
| C05 | H051 | sing | 1.09Å | 1.12Å | |
| C05 | H052 | sing | 1.09Å | 1.11Å | |
| C | O | sing | 1.43Å | 1.23Å | |
| C | H1 | sing | 1.09Å | 1.12Å | |
| C | H3 | sing | 1.09Å | 1.11Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| C08 | C09 | sing | 1.53Å | 1.54Å | |
| C08 | H081 | sing | 1.09Å | 1.11Å | |
| C08 | H082 | sing | 1.09Å | 1.11Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C09 | H091 | sing | 1.09Å | 1.12Å | |
| C09 | H092 | sing | 1.09Å | 1.12Å | |
| C10 | N11 | sing | 1.47Å | 1.44Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| N11 | H111 | sing | 1.01Å | 1.02Å | |
| N11 | H112 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H2 | 112.9° | 120.0° |
| N | CA | CB | 110.5° | 120.0° |
| N | CA | C | 112.0° | 120.0° |
| CB | CA | C | 106.9° | 120.0° |
| CA | CB | SG | 114.9° | 109.5° |
| CA | CB | HB1 | 110.2° | 109.4° |
| CA | CB | HB2 | 110.3° | 109.4° |
| CA | C | O | 121.0° | 109.4° |
| CA | C | H1 | 108.1° | 109.5° |
| CA | C | H3 | 108.1° | 109.5° |
| SG | CB | HB1 | 110.2° | 109.5° |
| SG | CB | HB2 | 110.2° | 109.5° |
| CB | SG | C05 | 100.4° | 103.0° |
| CB | SG | O12 | 104.1° | 109.5° |
| HB1 | CB | HB2 | 100.0° | 109.5° |
| C05 | SG | O12 | 108.5° | 109.4° |
| SG | C05 | C08 | 112.7° | 109.5° |
| SG | C05 | H051 | 111.1° | 109.4° |
| SG | C05 | H052 | 111.0° | 109.4° |
| C08 | C05 | H051 | 111.0° | 109.5° |
| C08 | C05 | H052 | 111.0° | 109.5° |
| C05 | C08 | C09 | 111.9° | 109.4° |
| C05 | C08 | H081 | 111.3° | 109.5° |
| C05 | C08 | H082 | 111.3° | 109.5° |
| H051 | C05 | H052 | 99.3° | 109.5° |
| O | C | H1 | 108.1° | 109.5° |
| O | C | H3 | 108.1° | 109.5° |
| C | O | HO | 121.0° | 113.9° |
| H1 | C | H3 | 101.8° | 109.5° |
| C09 | C08 | H081 | 111.3° | 109.5° |
| C09 | C08 | H082 | 111.3° | 109.4° |
| C08 | C09 | C10 | 111.7° | 109.4° |
| C08 | C09 | H091 | 111.4° | 109.5° |
| C08 | C09 | H092 | 111.4° | 109.4° |
| H081 | C08 | H082 | 99.1° | 109.5° |
| C10 | C09 | H091 | 111.4° | 109.5° |
| C10 | C09 | H092 | 111.4° | 109.5° |
| C09 | C10 | N11 | 111.7° | 109.5° |
| C09 | C10 | H101 | 111.4° | 109.5° |
| C09 | C10 | H102 | 111.4° | 109.5° |
| H091 | C09 | H092 | 99.0° | 109.5° |
| N11 | C10 | H101 | 111.4° | 109.4° |
| N11 | C10 | H102 | 111.4° | 109.5° |
| C10 | N11 | H111 | 111.4° | 111.0° |
| C10 | N11 | H112 | 111.6° | 110.9° |
| H101 | C10 | H102 | 98.9° | 109.5° |
| H111 | N11 | H112 | 111.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | CB | C | 122.1° | 180.0° |
| N | CA | CB | SG | 35.4° | 0.0° |
| N | CA | CB | HB1 | 160.7° | 120.0° |
| N | CA | CB | HB2 | 89.9° | 120.0° |
| N | CA | C | O | 8.7° | 0.0° |
| N | CA | C | H1 | 134.0° | 120.0° |
| N | CA | C | H3 | 116.6° | 120.0° |
| H2 | N | CA | CB | 162.5° | 180.0° |
| H2 | N | CA | C | 43.5° | 0.0° |
| CA | CB | SG | HB1 | 125.3° | 120.0° |
| CA | CB | SG | HB2 | 125.3° | 120.0° |
| CA | CB | HB1 | HB2 | 116.1° | 120.0° |
| CA | CB | SG | C05 | 118.5° | 180.0° |
| CA | CB | SG | O12 | 129.3° | 63.6° |
| CB | CA | C | O | 112.4° | 180.0° |
| CB | CA | C | H1 | 12.8° | 60.0° |
| CB | CA | C | H3 | 122.3° | 60.0° |
| C | CA | CB | SG | 157.5° | 180.0° |
| C | CA | CB | HB1 | 77.2° | 60.0° |
| C | CA | CB | HB2 | 32.2° | 60.0° |
| CA | C | O | H1 | 125.3° | 120.0° |
| CA | C | O | H3 | 125.3° | 120.0° |
| CA | C | H1 | H3 | 113.7° | 120.0° |
| CA | C | O | HO | 180.0° | 180.0° |
| SG | CB | HB1 | HB2 | 116.1° | 120.0° |
| CB | SG | C05 | O12 | 108.8° | 116.4° |
| CB | SG | C05 | C08 | 33.5° | 180.0° |
| CB | SG | C05 | H051 | 91.8° | 60.0° |
| CB | SG | C05 | H052 | 158.7° | 60.0° |
| HB1 | CB | SG | C05 | 6.8° | 60.0° |
| HB1 | CB | SG | O12 | 105.5° | 56.3° |
| HB2 | CB | SG | C05 | 116.3° | 60.0° |
| HB2 | CB | SG | O12 | 4.0° | 176.4° |
| SG | C05 | C08 | H051 | 125.3° | 120.0° |
| SG | C05 | C08 | H052 | 125.2° | 120.0° |
| SG | C05 | H051 | H052 | 116.9° | 119.9° |
| SG | C05 | C08 | C09 | 141.4° | 180.0° |
| SG | C05 | C08 | H081 | 16.1° | 60.0° |
| SG | C05 | C08 | H082 | 93.4° | 60.0° |
| O12 | SG | C05 | C08 | 142.3° | 63.6° |
| O12 | SG | C05 | H051 | 17.0° | 56.4° |
| O12 | SG | C05 | H052 | 92.5° | 176.4° |
| C08 | C05 | H051 | H052 | 116.9° | 120.1° |
| C05 | C08 | C09 | H081 | 125.2° | 120.0° |
| C05 | C08 | C09 | H082 | 125.3° | 120.0° |
| C05 | C08 | H081 | H082 | 117.2° | 120.0° |
| C05 | C08 | C09 | C10 | 107.4° | NaN° |
| C05 | C08 | C09 | H091 | 127.4° | 60.0° |
| C05 | C08 | C09 | H092 | 17.9° | 60.0° |
| H051 | C05 | C08 | C09 | 93.3° | 60.0° |
| H051 | C05 | C08 | H081 | 141.4° | 180.0° |
| H051 | C05 | C08 | H082 | 31.9° | 60.0° |
| H052 | C05 | C08 | C09 | 16.1° | 60.0° |
| H052 | C05 | C08 | H081 | 109.1° | 60.0° |
| H052 | C05 | C08 | H082 | 141.4° | 180.0° |
| O | C | H1 | H3 | 113.7° | 120.0° |
| H1 | C | O | HO | 54.7° | 60.0° |
| H3 | C | O | HO | 54.7° | 60.0° |
| C09 | C08 | H081 | H082 | 117.2° | 120.0° |
| C08 | C09 | C10 | H091 | 125.3° | 120.0° |
| C08 | C09 | C10 | H092 | 125.3° | 119.9° |
| C08 | C09 | H091 | H092 | 117.3° | 120.0° |
| C08 | C09 | C10 | N11 | 150.4° | 180.0° |
| C08 | C09 | C10 | H101 | 84.3° | 60.0° |
| C08 | C09 | C10 | H102 | 25.1° | 60.0° |
| H081 | C08 | C09 | C10 | 17.9° | 60.0° |
| H081 | C08 | C09 | H091 | 107.4° | 180.0° |
| H081 | C08 | C09 | H092 | 143.1° | 60.0° |
| H082 | C08 | C09 | C10 | 127.3° | 60.0° |
| H082 | C08 | C09 | H091 | 2.1° | 60.0° |
| H082 | C08 | C09 | H092 | 107.4° | 180.0° |
| C10 | C09 | H091 | H092 | 117.3° | 120.0° |
| C09 | C10 | N11 | H101 | 125.3° | 120.0° |
| C09 | C10 | N11 | H102 | 125.3° | 120.0° |
| C09 | C10 | H101 | H102 | 117.3° | 120.1° |
| C09 | C10 | N11 | H111 | 54.8° | 180.0° |
| C09 | C10 | N11 | H112 | 180.0° | 56.1° |
| H091 | C09 | C10 | N11 | 25.1° | 60.0° |
| H091 | C09 | C10 | H101 | 150.4° | 180.0° |
| H091 | C09 | C10 | H102 | 100.1° | 60.0° |
| H092 | C09 | C10 | N11 | 84.3° | 60.0° |
| H092 | C09 | C10 | H101 | 40.9° | 59.9° |
| H092 | C09 | C10 | H102 | 150.4° | 180.0° |
| N11 | C10 | H101 | H102 | 117.3° | 120.0° |
| C10 | N11 | H111 | H112 | 125.4° | 123.9° |
| H101 | C10 | N11 | H111 | 180.0° | 60.0° |
| H101 | C10 | N11 | H112 | 54.7° | 176.1° |
| H102 | C10 | N11 | H111 | 70.5° | 59.9° |
| H102 | C10 | N11 | H112 | 54.7° | 64.0° |
