PYT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.40Å | 1.42Å | |
N | HN1 | sing | 0.97Å | 1.02Å | |
N | HN2 | sing | 0.97Å | 1.02Å | |
CA | CB | doub | 1.33Å | 1.32Å | |
CA | C | sing | 1.47Å | 1.47Å | |
CB | HC1 | sing | 1.08Å | 1.10Å | |
CB | HC2 | sing | 1.08Å | 1.10Å | |
C | NT | sing | 1.35Å | 1.35Å | |
C | O | doub | 1.22Å | 1.20Å | |
NT | HT1 | sing | 0.97Å | 1.02Å | |
NT | HT2 | sing | 0.97Å | 1.02Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | HN1 | 121.1° | 120.0° |
CA | N | HN2 | 108.0° | 119.9° |
N | CA | CB | 121.1° | 120.0° |
N | CA | C | 114.5° | 120.1° |
HN1 | N | HN2 | 108.1° | 120.0° |
CB | CA | C | 122.8° | 119.9° |
CA | CB | HC1 | 122.8° | 120.0° |
CA | CB | HC2 | 121.1° | 120.0° |
CA | C | NT | 119.1° | 120.1° |
CA | C | O | 119.8° | 119.9° |
HC1 | CB | HC2 | 114.5° | 120.0° |
NT | C | O | 121.1° | 120.0° |
C | NT | HT1 | 121.1° | 120.1° |
C | NT | HT2 | 119.2° | 119.9° |
HT1 | NT | HT2 | 119.7° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | HN1 | HN2 | 125.2° | 179.8° |
N | CA | CB | C | 164.6° | 180.0° |
N | CA | CB | HC1 | 15.4° | 180.0° |
N | CA | CB | HC2 | 180.0° | 0.0° |
N | CA | C | NT | 170.4° | 180.0° |
N | CA | C | O | 9.7° | 0.0° |
HN1 | N | CA | CB | 180.0° | 0.0° |
HN1 | N | CA | C | 14.2° | 180.0° |
HN2 | N | CA | CB | 54.7° | 179.8° |
HN2 | N | CA | C | 139.5° | 0.2° |
CA | CB | HC1 | HC2 | 165.6° | 180.0° |
CB | CA | C | NT | 4.8° | 0.0° |
CB | CA | C | O | 175.2° | 180.0° |
C | CA | CB | HC1 | 180.0° | 0.0° |
C | CA | CB | HC2 | 15.4° | 180.0° |
CA | C | NT | O | 179.9° | 180.0° |
CA | C | NT | HT1 | 0.1° | 180.0° |
CA | C | NT | HT2 | 180.0° | 0.0° |
C | NT | HT1 | HT2 | 180.0° | 180.0° |
O | C | NT | HT1 | 180.0° | 0.0° |
O | C | NT | HT2 | 0.0° | 180.0° |