Obsolete: TBM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CT | sing | 1.47Å | 1.35Å | |
| N | CN | sing | 1.47Å | 1.52Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| CT | HCT1 | sing | 1.09Å | 1.12Å | |
| CT | HCT2 | sing | 1.09Å | 1.11Å | |
| CT | HCT3 | sing | 1.09Å | 1.12Å | |
| CN | HCN1 | sing | 1.09Å | 1.11Å | |
| CN | HCN2 | sing | 1.09Å | 1.12Å | |
| CN | HCN3 | sing | 1.09Å | 1.11Å | |
| CA | C | sing | 1.51Å | 1.55Å | |
| CA | CB | sing | 1.53Å | 1.58Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CB | OG1 | sing | 1.43Å | 1.42Å | |
| CB | CG2 | sing | 1.53Å | 1.55Å | |
| CB | HB | sing | 1.09Å | 1.12Å | |
| OG1 | HG1 | sing | 0.97Å | 0.95Å | |
| CG2 | CD1 | sing | 1.53Å | 1.55Å | |
| CG2 | CD2 | sing | 1.53Å | 1.56Å | |
| CG2 | HG2 | sing | 1.09Å | 1.12Å | |
| CD1 | HD11 | sing | 1.09Å | 1.12Å | |
| CD1 | HD12 | sing | 1.09Å | 1.12Å | |
| CD1 | HD13 | sing | 1.09Å | 1.12Å | |
| CD2 | CE | sing | 1.51Å | 1.54Å | |
| CD2 | HD22 | sing | 1.09Å | 1.12Å | |
| CD2 | HD23 | sing | 1.09Å | 1.11Å | |
| CE | CZ | doub | 1.31Å | 1.33Å | |
| CE | HE | sing | 1.08Å | 1.10Å | |
| CZ | CH | sing | 1.51Å | 1.52Å | |
| CZ | HZ | sing | 1.08Å | 1.10Å | |
| CH | HH1 | sing | 1.09Å | 1.11Å | |
| CH | HH2 | sing | 1.09Å | 1.11Å | |
| CH | HH3 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CT | N | CN | 123.2° | 106.7° |
| CT | N | CA | 114.2° | 106.7° |
| N | CT | HCT1 | 123.2° | 109.5° |
| N | CT | HCT2 | 107.3° | 109.5° |
| N | CT | HCT3 | 107.4° | 109.5° |
| CN | N | CA | 120.6° | 106.7° |
| N | CN | HCN1 | 123.2° | 109.5° |
| N | CN | HCN2 | 107.3° | 109.5° |
| N | CN | HCN3 | 107.4° | 109.5° |
| N | CA | C | 114.6° | 109.4° |
| N | CA | CB | 112.7° | 109.5° |
| N | CA | HA | 103.0° | 109.5° |
| HCT1 | CT | HCT2 | 107.4° | 109.4° |
| HCT1 | CT | HCT3 | 107.3° | 109.4° |
| HCT2 | CT | HCT3 | 102.4° | 109.5° |
| HCN1 | CN | HCN2 | 107.3° | 109.5° |
| HCN1 | CN | HCN3 | 107.4° | 109.5° |
| HCN2 | CN | HCN3 | 102.4° | 109.5° |
| C | CA | CB | 108.3° | 109.5° |
| C | CA | HA | 108.0° | 109.4° |
| CA | C | O | 123.6° | 120.0° |
| CA | C | OXT | 116.4° | 120.0° |
| CB | CA | HA | 110.1° | 109.5° |
| CA | CB | OG1 | 107.9° | 109.5° |
| CA | CB | CG2 | 113.0° | 109.4° |
| CA | CB | HB | 108.4° | 109.4° |
| O | C | OXT | 119.8° | 119.9° |
| C | OXT | HXT | 116.4° | 120.0° |
| OG1 | CB | CG2 | 110.0° | 109.5° |
| OG1 | CB | HB | 111.4° | 109.5° |
| CB | OG1 | HG1 | 107.9° | 106.8° |
| CG2 | CB | HB | 106.2° | 109.5° |
| CB | CG2 | CD1 | 109.7° | 109.5° |
| CB | CG2 | CD2 | 110.0° | 109.4° |
| CB | CG2 | HG2 | 109.9° | 109.5° |
| CD1 | CG2 | CD2 | 112.0° | 109.5° |
| CD1 | CG2 | HG2 | 107.7° | 109.5° |
| CG2 | CD1 | HD11 | 109.7° | 109.5° |
| CG2 | CD1 | HD12 | 112.1° | 109.4° |
| CG2 | CD1 | HD13 | 112.2° | 109.5° |
| CD2 | CG2 | HG2 | 107.4° | 109.5° |
| CG2 | CD2 | CE | 117.1° | 109.4° |
| CG2 | CD2 | HD22 | 109.5° | 109.5° |
| CG2 | CD2 | HD23 | 109.5° | 109.5° |
| HD11 | CD1 | HD12 | 112.1° | 109.4° |
| HD11 | CD1 | HD13 | 112.1° | 109.5° |
| HD12 | CD1 | HD13 | 98.3° | 109.5° |
| CE | CD2 | HD22 | 109.4° | 109.5° |
| CE | CD2 | HD23 | 109.4° | 109.5° |
| CD2 | CE | CZ | 124.4° | 120.0° |
| CD2 | CE | HE | 125.7° | 120.0° |
| HD22 | CD2 | HD23 | 100.7° | 109.4° |
| CZ | CE | HE | 109.9° | 120.0° |
| CE | CZ | CH | 120.5° | 120.0° |
| CE | CZ | HZ | 113.0° | 120.0° |
| CH | CZ | HZ | 126.5° | 120.0° |
| CZ | CH | HH1 | 120.5° | 109.4° |
| CZ | CH | HH2 | 108.3° | 109.5° |
| CZ | CH | HH3 | 108.2° | 109.4° |
| HH1 | CH | HH2 | 108.3° | 109.4° |
| HH1 | CH | HH3 | 108.2° | 109.5° |
| HH2 | CH | HH3 | 101.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CT | N | CN | CA | 162.9° | 113.8° |
| N | CT | HCT1 | HCT2 | 125.3° | 120.0° |
| N | CT | HCT1 | HCT3 | 125.2° | 120.0° |
| N | CT | HCT2 | HCT3 | 112.9° | 120.1° |
| CT | N | CN | HCN1 | 180.0° | 55.7° |
| CT | N | CN | HCN2 | 54.8° | 64.3° |
| CT | N | CN | HCN3 | 54.7° | 175.7° |
| CT | N | CA | C | 106.6° | 148.8° |
| CT | N | CA | CB | 129.0° | 91.2° |
| CT | N | CA | HA | 10.5° | 28.8° |
| CN | N | CT | HCT1 | 180.0° | 73.6° |
| CN | N | CT | HCT2 | 54.7° | 166.4° |
| CN | N | CT | HCT3 | 54.8° | 46.3° |
| N | CN | HCN1 | HCN2 | 125.2° | 120.0° |
| N | CN | HCN1 | HCN3 | 125.3° | 120.0° |
| N | CN | HCN2 | HCN3 | 112.9° | 120.0° |
| CN | N | CA | C | 57.8° | 35.0° |
| CN | N | CA | CB | 66.6° | 155.0° |
| CN | N | CA | HA | 174.9° | 84.9° |
| CA | N | CT | HCT1 | 16.1° | 172.6° |
| CA | N | CT | HCT2 | 109.2° | 52.6° |
| CA | N | CT | HCT3 | 141.3° | 67.5° |
| CA | N | CN | HCN1 | 17.1° | 169.5° |
| CA | N | CN | HCN2 | 142.3° | 49.5° |
| CA | N | CN | HCN3 | 108.2° | 70.5° |
| N | CA | C | CB | 126.7° | 120.1° |
| N | CA | C | HA | 114.2° | 120.0° |
| N | CA | CB | HA | 114.4° | 120.1° |
| N | CA | C | O | 3.6° | 135.0° |
| N | CA | C | OXT | 170.6° | 45.1° |
| N | CA | CB | OG1 | 68.3° | 57.0° |
| N | CA | CB | CG2 | 53.5° | 63.0° |
| N | CA | CB | HB | 170.9° | 177.0° |
| HCT1 | CT | HCT2 | HCT3 | 112.8° | 120.0° |
| HCN1 | CN | HCN2 | HCN3 | 112.9° | 120.0° |
| C | CA | CB | HA | 117.8° | 119.9° |
| CA | C | O | OXT | 174.0° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| C | CA | CB | OG1 | 59.5° | 63.0° |
| C | CA | CB | CG2 | 178.7° | 177.0° |
| C | CA | CB | HB | 61.3° | 57.0° |
| CB | CA | C | O | 123.1° | 105.0° |
| CB | CA | C | OXT | 62.7° | 75.0° |
| CA | CB | OG1 | CG2 | 123.6° | 120.0° |
| CA | CB | OG1 | HB | 118.9° | 120.0° |
| CA | CB | CG2 | HB | 118.7° | 119.9° |
| CA | CB | OG1 | HG1 | 180.0° | 55.4° |
| CA | CB | CG2 | CD1 | 56.4° | 60.0° |
| CA | CB | CG2 | CD2 | 179.9° | 180.0° |
| CA | CB | CG2 | HG2 | 61.8° | 60.0° |
| HA | CA | C | O | 117.8° | 15.0° |
| HA | CA | C | OXT | 56.4° | 165.1° |
| HA | CA | CB | OG1 | 177.3° | 177.1° |
| HA | CA | CB | CG2 | 60.9° | 57.1° |
| HA | CA | CB | HB | 56.5° | 62.9° |
| O | C | OXT | HXT | 5.6° | 0.1° |
| OG1 | CB | CG2 | HB | 120.7° | 120.1° |
| OG1 | CB | CG2 | CD1 | 177.0° | 180.0° |
| OG1 | CB | CG2 | CD2 | 59.3° | 60.0° |
| OG1 | CB | CG2 | HG2 | 58.8° | 60.0° |
| CG2 | CB | OG1 | HG1 | 56.3° | 64.5° |
| CB | CG2 | CD1 | CD2 | 122.4° | 120.0° |
| CB | CG2 | CD1 | HG2 | 119.6° | 120.0° |
| CB | CG2 | CD2 | HG2 | 119.6° | 120.0° |
| CB | CG2 | CD1 | HD11 | 180.0° | 59.9° |
| CB | CG2 | CD1 | HD12 | 54.8° | 60.0° |
| CB | CG2 | CD1 | HD13 | 54.8° | 180.0° |
| CB | CG2 | CD2 | CE | 62.8° | 180.0° |
| CB | CG2 | CD2 | HD22 | 171.9° | 60.0° |
| CB | CG2 | CD2 | HD23 | 62.5° | 60.0° |
| HB | CB | OG1 | HG1 | 61.1° | 175.4° |
| HB | CB | CG2 | CD1 | 62.3° | 59.9° |
| HB | CB | CG2 | CD2 | 61.4° | 60.1° |
| HB | CB | CG2 | HG2 | 179.5° | 179.9° |
| CD1 | CG2 | CD2 | HG2 | 118.1° | 120.0° |
| CG2 | CD1 | HD11 | HD12 | 125.2° | 120.0° |
| CG2 | CD1 | HD11 | HD13 | 125.3° | 120.0° |
| CG2 | CD1 | HD12 | HD13 | 118.1° | 120.0° |
| CD1 | CG2 | CD2 | CE | 59.5° | 60.0° |
| CD1 | CG2 | CD2 | HD22 | 65.8° | 60.0° |
| CD1 | CG2 | CD2 | HD23 | 175.2° | 180.0° |
| CD2 | CG2 | CD1 | HD11 | 57.5° | 60.0° |
| CD2 | CG2 | CD1 | HD12 | 67.6° | 180.0° |
| CD2 | CG2 | CD1 | HD13 | 177.2° | 60.0° |
| CG2 | CD2 | CE | HD22 | 125.3° | 120.0° |
| CG2 | CD2 | CE | HD23 | 125.3° | 120.0° |
| CG2 | CD2 | HD22 | HD23 | 115.2° | 120.0° |
| CG2 | CD2 | CE | CZ | 128.7° | 120.0° |
| CG2 | CD2 | CE | HE | 51.3° | 60.1° |
| HG2 | CG2 | CD1 | HD11 | 60.4° | 179.9° |
| HG2 | CG2 | CD1 | HD12 | 174.4° | 60.0° |
| HG2 | CG2 | CD1 | HD13 | 64.9° | 60.0° |
| HG2 | CG2 | CD2 | CE | 177.6° | 60.0° |
| HG2 | CG2 | CD2 | HD22 | 52.3° | 180.0° |
| HG2 | CG2 | CD2 | HD23 | 57.1° | 60.0° |
| HD11 | CD1 | HD12 | HD13 | 118.0° | 120.0° |
| CE | CD2 | HD22 | HD23 | 115.2° | 120.0° |
| CD2 | CE | CZ | HE | 180.0° | 179.9° |
| CD2 | CE | CZ | CH | 179.5° | 180.0° |
| CD2 | CE | CZ | HZ | 0.6° | 0.1° |
| HD22 | CD2 | CE | CZ | 106.0° | 120.0° |
| HD22 | CD2 | CE | HE | 74.0° | 59.9° |
| HD23 | CD2 | CE | CZ | 3.4° | 0.0° |
| HD23 | CD2 | CE | HE | 176.6° | 179.9° |
| CE | CZ | CH | HZ | 180.0° | 180.0° |
| CE | CZ | CH | HH1 | 179.9° | 180.0° |
| CE | CZ | CH | HH2 | 54.7° | 60.1° |
| CE | CZ | CH | HH3 | 54.7° | 60.0° |
| HE | CE | CZ | CH | 0.6° | 0.0° |
| HE | CE | CZ | HZ | 179.4° | 180.0° |
| CZ | CH | HH1 | HH2 | 125.3° | 120.0° |
| CZ | CH | HH1 | HH3 | 125.2° | 120.0° |
| CZ | CH | HH2 | HH3 | 113.9° | 120.0° |
| HZ | CZ | CH | HH1 | 0.0° | 0.0° |
| HZ | CZ | CH | HH2 | 125.3° | 120.0° |
| HZ | CZ | CH | HH3 | 125.2° | 120.0° |
| HH1 | CH | HH2 | HH3 | 113.9° | 120.0° |
