KNB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.51Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| CA | H21 | sing | 1.09Å | 1.10Å | |
| CB | S | sing | 1.81Å | 1.68Å | |
| CB | H111 | sing | 1.09Å | 1.10Å | |
| CB | H112 | sing | 1.09Å | 1.10Å | |
| S | O1 | doub | 1.42Å | 1.43Å | |
| S | O2 | doub | 1.42Å | 1.44Å | |
| S | CS | sing | 1.81Å | 1.67Å | |
| CS | H281 | sing | 1.09Å | 1.10Å | |
| CS | H282 | sing | 1.09Å | 1.10Å | |
| CS | H283 | sing | 1.09Å | 1.10Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 122.0° | 120.0° |
| C | CA | CB | 114.6° | 109.5° |
| C | CA | N | 109.1° | 109.5° |
| C | CA | H21 | 105.5° | 109.4° |
| CA | C | OXT | 129.6° | 120.0° |
| O | C | OXT | 108.4° | 120.0° |
| CB | CA | N | 107.1° | 109.5° |
| CB | CA | H21 | 107.5° | 109.5° |
| CA | CB | S | 115.5° | 109.5° |
| CA | CB | H111 | 107.5° | 109.5° |
| CA | CB | H112 | 107.6° | 109.5° |
| N | CA | H21 | 113.2° | 109.4° |
| CA | N | HN1 | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| S | CB | H111 | 107.5° | 109.5° |
| S | CB | H112 | 107.5° | 109.4° |
| CB | S | O1 | 109.6° | 108.6° |
| CB | S | O2 | 111.1° | 108.6° |
| CB | S | CS | 109.5° | 101.9° |
| H111 | CB | H112 | 111.3° | 109.5° |
| O1 | S | O2 | 107.1° | 119.2° |
| O1 | S | CS | 108.5° | 108.6° |
| O2 | S | CS | 110.9° | 108.6° |
| S | CS | H281 | 109.5° | 109.5° |
| S | CS | H282 | 109.4° | 109.5° |
| S | CS | H283 | 109.5° | 109.5° |
| H281 | CS | H282 | 109.5° | 109.5° |
| H281 | CS | H283 | 109.5° | 109.5° |
| H282 | CS | H283 | 109.5° | 109.5° |
| HN1 | N | H2 | 109.5° | 111.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O | OXT | 180.0° | 179.7° |
| C | CA | CB | N | 121.1° | 120.0° |
| C | CA | CB | H21 | 116.9° | 120.0° |
| C | CA | N | H21 | 117.1° | 119.9° |
| C | CA | CB | S | 158.6° | 180.0° |
| C | CA | CB | H111 | 81.4° | 60.0° |
| C | CA | CB | H112 | 38.6° | 60.0° |
| C | CA | N | HN1 | 180.0° | 63.9° |
| C | CA | N | H2 | 60.0° | 60.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| O | C | CA | CB | 13.3° | 100.0° |
| O | C | CA | N | 106.8° | 20.0° |
| O | C | CA | H21 | 131.3° | 139.9° |
| O | C | OXT | HXT | 0.0° | 0.3° |
| CB | CA | N | H21 | 118.3° | 120.0° |
| CA | CB | S | H111 | 120.0° | 120.1° |
| CA | CB | S | H112 | 120.0° | 120.0° |
| CA | CB | H111 | H112 | 117.6° | 120.0° |
| CA | CB | S | O1 | 161.0° | 65.5° |
| CA | CB | S | O2 | 42.8° | 65.5° |
| CA | CB | S | CS | 80.0° | 180.0° |
| CB | CA | N | HN1 | 55.4° | 176.0° |
| CB | CA | C | OXT | 166.7° | 79.7° |
| CB | CA | N | H2 | 175.4° | 60.0° |
| N | CA | CB | S | 80.3° | 60.0° |
| N | CA | CB | H111 | 39.7° | 60.0° |
| N | CA | CB | H112 | 159.7° | 180.0° |
| CA | N | HN1 | H2 | 120.0° | 124.0° |
| N | CA | C | OXT | 73.2° | 160.3° |
| H21 | CA | CB | S | 41.7° | 60.0° |
| H21 | CA | CB | H111 | 161.7° | 180.0° |
| H21 | CA | CB | H112 | 78.3° | 60.0° |
| H21 | CA | N | HN1 | 62.9° | 56.0° |
| H21 | CA | C | OXT | 48.7° | 40.4° |
| H21 | CA | N | H2 | 57.1° | 179.9° |
| S | CB | H111 | H112 | 117.5° | 120.0° |
| CB | S | O1 | O2 | 120.6° | 125.0° |
| CB | S | O1 | CS | 119.6° | 110.1° |
| CB | S | O2 | CS | 122.1° | 110.1° |
| CB | S | CS | H281 | 180.0° | 60.0° |
| CB | S | CS | H282 | 60.0° | 180.0° |
| CB | S | CS | H283 | 60.0° | 60.0° |
| H111 | CB | S | O1 | 79.0° | 174.4° |
| H111 | CB | S | O2 | 162.8° | 54.5° |
| H111 | CB | S | CS | 40.0° | 60.0° |
| H112 | CB | S | O1 | 41.0° | 54.5° |
| H112 | CB | S | O2 | 77.2° | 174.5° |
| H112 | CB | S | CS | 159.9° | 60.0° |
| O1 | S | O2 | CS | 118.2° | 124.9° |
| O1 | S | CS | H281 | 60.3° | 54.5° |
| O1 | S | CS | H282 | 179.6° | 65.5° |
| O1 | S | CS | H283 | 59.7° | 174.5° |
| O2 | S | CS | H281 | 57.0° | 174.5° |
| O2 | S | CS | H282 | 63.0° | 65.5° |
| O2 | S | CS | H283 | 177.0° | 54.5° |
| S | CS | H281 | H282 | 120.0° | 120.0° |
| S | CS | H281 | H283 | 120.0° | 120.0° |
| S | CS | H282 | H283 | 120.0° | 120.0° |
| H281 | CS | H282 | H283 | 120.0° | 120.0° |
