INC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA1 | C1 | sing | 1.51Å | 1.50Å | |
| CA1 | HA11 | sing | 1.09Å | 1.12Å | |
| CA1 | HA12 | sing | 1.09Å | 1.11Å | |
| CA1 | HA13 | sing | 1.09Å | 1.12Å | |
| C1 | O1 | doub | 1.21Å | 1.28Å | |
| C1 | N2 | sing | 1.35Å | 1.25Å | |
| N2 | OH2 | sing | 1.42Å | 1.35Å | |
| N2 | CA2 | sing | 1.46Å | 1.52Å | |
| OH2 | HO2 | sing | 0.97Å | 0.95Å | |
| CA2 | CB2 | sing | 1.53Å | 1.51Å | |
| CA2 | C2 | sing | 1.51Å | 1.54Å | |
| CA2 | HA2 | sing | 1.09Å | 1.12Å | |
| CB2 | CG2 | sing | 1.53Å | 1.53Å | |
| CB2 | HB21 | sing | 1.09Å | 1.11Å | |
| CB2 | HB22 | sing | 1.09Å | 1.11Å | |
| CG2 | CD1 | sing | 1.53Å | 1.57Å | |
| CG2 | CD2 | sing | 1.53Å | 1.50Å | |
| CG2 | HG2 | sing | 1.09Å | 1.12Å | |
| CD1 | HD11 | sing | 1.09Å | 1.12Å | |
| CD1 | HD12 | sing | 1.09Å | 1.11Å | |
| CD1 | HD13 | sing | 1.09Å | 1.12Å | |
| CD2 | HD21 | sing | 1.09Å | 1.12Å | |
| CD2 | HD22 | sing | 1.09Å | 1.11Å | |
| CD2 | HD23 | sing | 1.09Å | 1.11Å | |
| C2 | O2 | doub | 1.21Å | 1.24Å | |
| C2 | O3 | sing | 1.34Å | 1.43Å | |
| O3 | C3 | sing | 1.45Å | 1.47Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C3 | H33 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | CA1 | HA11 | 128.3° | 109.5° |
| C1 | CA1 | HA12 | 105.6° | 109.5° |
| C1 | CA1 | HA13 | 105.6° | 109.4° |
| CA1 | C1 | O1 | 128.3° | 120.0° |
| CA1 | C1 | N2 | 108.8° | 120.0° |
| HA11 | CA1 | HA12 | 105.6° | 109.5° |
| HA11 | CA1 | HA13 | 105.6° | 109.5° |
| HA12 | CA1 | HA13 | 103.7° | 109.5° |
| O1 | C1 | N2 | 122.7° | 120.0° |
| C1 | N2 | OH2 | 116.5° | 120.0° |
| C1 | N2 | CA2 | 121.7° | 120.0° |
| OH2 | N2 | CA2 | 121.7° | 120.0° |
| N2 | OH2 | HO2 | 116.4° | 106.8° |
| N2 | CA2 | CB2 | 111.3° | 109.5° |
| N2 | CA2 | C2 | 113.3° | 109.5° |
| N2 | CA2 | HA2 | 103.9° | 109.5° |
| CB2 | CA2 | C2 | 103.6° | 109.5° |
| CB2 | CA2 | HA2 | 113.5° | 109.5° |
| CA2 | CB2 | CG2 | 113.3° | 109.5° |
| CA2 | CB2 | HB21 | 110.8° | 109.5° |
| CA2 | CB2 | HB22 | 110.8° | 109.5° |
| C2 | CA2 | HA2 | 111.5° | 109.5° |
| CA2 | C2 | O2 | 112.3° | 120.0° |
| CA2 | C2 | O3 | 120.4° | 120.0° |
| CG2 | CB2 | HB21 | 110.8° | 109.5° |
| CG2 | CB2 | HB22 | 110.8° | 109.5° |
| CB2 | CG2 | CD1 | 118.3° | 109.5° |
| CB2 | CG2 | CD2 | 101.1° | 109.5° |
| CB2 | CG2 | HG2 | 110.9° | 109.5° |
| HB21 | CB2 | HB22 | 99.5° | 109.4° |
| CD1 | CG2 | CD2 | 113.2° | 109.4° |
| CD1 | CG2 | HG2 | 98.1° | 109.6° |
| CG2 | CD1 | HD11 | 118.3° | 109.5° |
| CG2 | CD1 | HD12 | 109.1° | 109.5° |
| CG2 | CD1 | HD13 | 109.1° | 109.5° |
| CD2 | CG2 | HG2 | 116.2° | 109.5° |
| CG2 | CD2 | HD21 | 101.0° | 109.5° |
| CG2 | CD2 | HD22 | 115.4° | 109.4° |
| CG2 | CD2 | HD23 | 115.4° | 109.5° |
| HD11 | CD1 | HD12 | 109.0° | 109.5° |
| HD11 | CD1 | HD13 | 109.0° | 109.5° |
| HD12 | CD1 | HD13 | 101.0° | 109.5° |
| HD21 | CD2 | HD22 | 115.4° | 109.5° |
| HD21 | CD2 | HD23 | 115.4° | 109.5° |
| HD22 | CD2 | HD23 | 95.1° | 109.4° |
| O2 | C2 | O3 | 127.2° | 120.0° |
| C2 | O3 | C3 | 114.9° | 120.0° |
| O3 | C3 | H31 | 114.9° | 109.5° |
| O3 | C3 | H32 | 110.2° | 109.5° |
| O3 | C3 | H33 | 110.2° | 109.5° |
| H31 | C3 | H32 | 110.3° | 109.5° |
| H31 | C3 | H33 | 110.2° | 109.4° |
| H32 | C3 | H33 | 100.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | CA1 | HA11 | HA12 | 125.3° | 120.0° |
| C1 | CA1 | HA11 | HA13 | 125.3° | 120.0° |
| C1 | CA1 | HA12 | HA13 | 110.9° | 119.9° |
| CA1 | C1 | O1 | N2 | 174.1° | 179.9° |
| CA1 | C1 | N2 | OH2 | 179.8° | 0.1° |
| CA1 | C1 | N2 | CA2 | 3.8° | 180.0° |
| HA11 | CA1 | HA12 | HA13 | 110.8° | 120.1° |
| HA11 | CA1 | C1 | O1 | 180.0° | 119.9° |
| HA11 | CA1 | C1 | N2 | 5.2° | 60.0° |
| HA12 | CA1 | C1 | O1 | 54.7° | 0.1° |
| HA12 | CA1 | C1 | N2 | 130.5° | 180.0° |
| HA13 | CA1 | C1 | O1 | 54.8° | 120.0° |
| HA13 | CA1 | C1 | N2 | 120.0° | 60.1° |
| O1 | C1 | N2 | OH2 | 5.1° | 180.0° |
| O1 | C1 | N2 | CA2 | 178.9° | 0.1° |
| C1 | N2 | OH2 | CA2 | 176.0° | 179.9° |
| C1 | N2 | OH2 | HO2 | 180.0° | 0.1° |
| C1 | N2 | CA2 | CB2 | 81.0° | 54.9° |
| C1 | N2 | CA2 | C2 | 162.7° | 65.1° |
| C1 | N2 | CA2 | HA2 | 41.6° | 174.9° |
| OH2 | N2 | CA2 | CB2 | 94.8° | 125.2° |
| OH2 | N2 | CA2 | C2 | 21.5° | 114.8° |
| OH2 | N2 | CA2 | HA2 | 142.6° | 5.2° |
| CA2 | N2 | OH2 | HO2 | 4.0° | 180.0° |
| N2 | CA2 | CB2 | C2 | 122.1° | 120.0° |
| N2 | CA2 | CB2 | HA2 | 116.8° | 120.0° |
| N2 | CA2 | C2 | HA2 | 116.8° | 120.0° |
| N2 | CA2 | CB2 | CG2 | 160.2° | 62.1° |
| N2 | CA2 | CB2 | HB21 | 74.5° | 177.8° |
| N2 | CA2 | CB2 | HB22 | 35.0° | 57.9° |
| N2 | CA2 | C2 | O2 | 102.4° | 30.0° |
| N2 | CA2 | C2 | O3 | 73.5° | 150.0° |
| CB2 | CA2 | C2 | HA2 | 122.5° | 120.0° |
| CA2 | CB2 | CG2 | HB21 | 125.3° | 120.0° |
| CA2 | CB2 | CG2 | HB22 | 125.3° | 120.0° |
| CA2 | CB2 | HB21 | HB22 | 116.7° | 119.9° |
| CA2 | CB2 | CG2 | CD1 | 54.1° | 65.9° |
| CA2 | CB2 | CG2 | CD2 | 178.2° | 174.1° |
| CA2 | CB2 | CG2 | HG2 | 58.0° | 54.2° |
| CB2 | CA2 | C2 | O2 | 18.3° | 90.0° |
| CB2 | CA2 | C2 | O3 | 165.8° | 90.0° |
| C2 | CA2 | CB2 | CG2 | 77.7° | 177.8° |
| C2 | CA2 | CB2 | HB21 | 47.6° | 57.8° |
| C2 | CA2 | CB2 | HB22 | 157.1° | 62.1° |
| CA2 | C2 | O2 | O3 | 175.6° | 180.0° |
| CA2 | C2 | O3 | C3 | 176.6° | 180.0° |
| HA2 | CA2 | CB2 | CG2 | 43.4° | 57.8° |
| HA2 | CA2 | CB2 | HB21 | 168.7° | 62.2° |
| HA2 | CA2 | CB2 | HB22 | 81.8° | 177.9° |
| HA2 | CA2 | C2 | O2 | 140.8° | 150.0° |
| HA2 | CA2 | C2 | O3 | 43.3° | 30.0° |
| CG2 | CB2 | HB21 | HB22 | 116.6° | 120.0° |
| CB2 | CG2 | CD1 | CD2 | 117.8° | 120.0° |
| CB2 | CG2 | CD1 | HG2 | 119.0° | 120.0° |
| CB2 | CG2 | CD2 | HG2 | 120.1° | 120.0° |
| CB2 | CG2 | CD1 | HD11 | 179.9° | 180.0° |
| CB2 | CG2 | CD1 | HD12 | 54.8° | 60.0° |
| CB2 | CG2 | CD1 | HD13 | 54.8° | 60.0° |
| CB2 | CG2 | CD2 | HD21 | 180.0° | 64.9° |
| CB2 | CG2 | CD2 | HD22 | 54.8° | 55.1° |
| CB2 | CG2 | CD2 | HD23 | 54.8° | 175.0° |
| HB21 | CB2 | CG2 | CD1 | 179.4° | 54.1° |
| HB21 | CB2 | CG2 | CD2 | 56.6° | 65.8° |
| HB21 | CB2 | CG2 | HG2 | 67.2° | 174.2° |
| HB22 | CB2 | CG2 | CD1 | 71.2° | 174.1° |
| HB22 | CB2 | CG2 | CD2 | 52.9° | 54.1° |
| HB22 | CB2 | CG2 | HG2 | 176.7° | 65.8° |
| CD1 | CG2 | CD2 | HG2 | 112.4° | 120.1° |
| CG2 | CD1 | HD11 | HD12 | 125.3° | 120.0° |
| CG2 | CD1 | HD11 | HD13 | 125.2° | 120.0° |
| CG2 | CD1 | HD12 | HD13 | 114.8° | 120.1° |
| CD1 | CG2 | CD2 | HD21 | 52.5° | 55.0° |
| CD1 | CG2 | CD2 | HD22 | 177.8° | 175.1° |
| CD1 | CG2 | CD2 | HD23 | 72.7° | 65.0° |
| CD2 | CG2 | CD1 | HD11 | 62.2° | 60.0° |
| CD2 | CG2 | CD1 | HD12 | 63.1° | 180.0° |
| CD2 | CG2 | CD1 | HD13 | 172.6° | 60.0° |
| CG2 | CD2 | HD21 | HD22 | 125.2° | 120.0° |
| CG2 | CD2 | HD21 | HD23 | 125.2° | 120.0° |
| CG2 | CD2 | HD22 | HD23 | 121.3° | 120.0° |
| HG2 | CG2 | CD1 | HD11 | 60.9° | 60.0° |
| HG2 | CG2 | CD1 | HD12 | 173.8° | 60.0° |
| HG2 | CG2 | CD1 | HD13 | 64.3° | 180.0° |
| HG2 | CG2 | CD2 | HD21 | 59.9° | 175.1° |
| HG2 | CG2 | CD2 | HD22 | 65.3° | 64.8° |
| HG2 | CG2 | CD2 | HD23 | 174.8° | 55.1° |
| HD11 | CD1 | HD12 | HD13 | 114.7° | 120.0° |
| HD21 | CD2 | HD22 | HD23 | 121.3° | 120.0° |
| O2 | C2 | O3 | C3 | 8.2° | 0.0° |
| C2 | O3 | C3 | H31 | 180.0° | 180.0° |
| C2 | O3 | C3 | H32 | 54.7° | 60.0° |
| C2 | O3 | C3 | H33 | 54.8° | 60.0° |
| O3 | C3 | H31 | H32 | 125.3° | 120.1° |
| O3 | C3 | H31 | H33 | 125.2° | 120.0° |
| O3 | C3 | H32 | H33 | 116.1° | 120.0° |
| H31 | C3 | H32 | H33 | 116.0° | 119.9° |
