BE0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | S1 | sing | 1.66Å | 1.62Å | |
N1 | CB1 | sing | 1.47Å | 1.48Å | |
N1 | CB2 | sing | 1.47Å | 1.47Å | |
O1 | S1 | doub | 1.42Å | 1.44Å | |
S1 | O2 | doub | 1.42Å | 1.47Å | |
S1 | N2 | sing | 1.66Å | 1.66Å | |
CB1 | CC1 | sing | 1.53Å | 1.56Å | |
CC1 | CD1 | sing | 1.53Å | 1.52Å | |
CD1 | CC2 | sing | 1.53Å | 1.54Å | |
CC2 | CB2 | sing | 1.53Å | 1.55Å | |
N2 | HN2 | sing | 0.97Å | 1.00Å | |
N2 | HN2A | sing | 0.97Å | 1.00Å | |
CB1 | HB1 | sing | 1.09Å | 1.10Å | |
CB1 | HB1A | sing | 1.09Å | 1.10Å | |
CC1 | HC1 | sing | 1.09Å | 1.10Å | |
CC1 | HC1A | sing | 1.09Å | 1.10Å | |
CD1 | HD1 | sing | 1.09Å | 1.10Å | |
CD1 | HD1A | sing | 1.09Å | 1.10Å | |
CC2 | HC2 | sing | 1.09Å | 1.10Å | |
CC2 | HC2A | sing | 1.09Å | 1.10Å | |
CB2 | HB2 | sing | 1.09Å | 1.10Å | |
CB2 | HB2A | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
S1 | N1 | CB1 | 113.0° | 120.6° |
S1 | N1 | CB2 | 115.2° | 120.7° |
N1 | S1 | O1 | 109.7° | 106.4° |
N1 | S1 | O2 | 106.2° | 106.4° |
N1 | S1 | N2 | 107.4° | 107.2° |
CB1 | N1 | CB2 | 113.2° | 118.8° |
N1 | CB1 | CC1 | 108.7° | 108.8° |
N1 | CB1 | HB1 | 109.8° | 109.6° |
N1 | CB1 | HB1A | 109.7° | 109.6° |
N1 | CB2 | CC2 | 109.5° | 109.0° |
N1 | CB2 | HB2 | 109.4° | 109.6° |
N1 | CB2 | HB2A | 109.4° | 109.6° |
O1 | S1 | O2 | 119.9° | 123.1° |
O1 | S1 | N2 | 106.4° | 106.4° |
O2 | S1 | N2 | 106.7° | 106.4° |
S1 | N2 | HN2 | 109.5° | 120.0° |
S1 | N2 | HN2A | 109.5° | 120.1° |
CB1 | CC1 | CD1 | 110.6° | 109.3° |
CC1 | CB1 | HB1 | 109.7° | 109.5° |
CC1 | CB1 | HB1A | 109.7° | 109.6° |
CB1 | CC1 | HC1 | 109.1° | 109.5° |
CB1 | CC1 | HC1A | 109.1° | 109.4° |
CC1 | CD1 | CC2 | 111.0° | 109.5° |
CD1 | CC1 | HC1 | 109.1° | 109.5° |
CD1 | CC1 | HC1A | 109.1° | 109.5° |
CC1 | CD1 | HD1 | 108.9° | 109.4° |
CC1 | CD1 | HD1A | 109.0° | 109.4° |
CD1 | CC2 | CB2 | 107.4° | 109.4° |
CC2 | CD1 | HD1 | 109.0° | 109.5° |
CC2 | CD1 | HD1A | 109.0° | 109.5° |
CD1 | CC2 | HC2 | 110.2° | 109.5° |
CD1 | CC2 | HC2A | 110.2° | 109.5° |
CB2 | CC2 | HC2 | 110.2° | 109.6° |
CB2 | CC2 | HC2A | 110.2° | 109.4° |
CC2 | CB2 | HB2 | 109.5° | 109.5° |
CC2 | CB2 | HB2A | 109.5° | 109.4° |
HN2 | N2 | HN2A | 109.5° | 119.9° |
HB1 | CB1 | HB1A | 109.2° | 109.7° |
HC1 | CC1 | HC1A | 109.8° | 109.5° |
HD1 | CD1 | HD1A | 110.0° | 109.5° |
HC2 | CC2 | HC2A | 108.8° | 109.5° |
HB2 | CB2 | HB2A | 109.5° | 109.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
S1 | N1 | CB1 | CB2 | 133.3° | 179.7° |
N1 | S1 | O1 | O2 | 123.2° | 122.9° |
N1 | S1 | O1 | N2 | 115.8° | 114.1° |
N1 | S1 | O2 | N2 | 114.3° | 114.2° |
S1 | N1 | CB1 | CC1 | 167.9° | 126.4° |
S1 | N1 | CB2 | CC2 | 165.0° | 126.4° |
N1 | S1 | N2 | HN2 | 180.0° | 0.0° |
N1 | S1 | N2 | HN2A | 60.0° | 180.0° |
S1 | N1 | CB1 | HB1 | 72.1° | 113.9° |
S1 | N1 | CB1 | HB1A | 47.9° | 6.6° |
S1 | N1 | CB2 | HB2 | 45.0° | 6.6° |
S1 | N1 | CB2 | HB2A | 75.0° | 113.8° |
CB1 | N1 | S1 | O1 | 48.6° | 156.4° |
CB1 | N1 | S1 | O2 | 179.5° | 23.6° |
CB1 | N1 | S1 | N2 | 66.6° | 90.0° |
N1 | CB1 | CC1 | HB1 | 120.0° | 119.7° |
N1 | CB1 | CC1 | HB1A | 120.0° | 119.8° |
N1 | CB1 | CC1 | CD1 | 54.8° | 54.6° |
CB1 | N1 | CB2 | CC2 | 62.8° | 53.3° |
N1 | CB1 | HB1 | HB1A | 120.3° | 120.4° |
N1 | CB1 | CC1 | HC1 | 174.8° | 174.6° |
N1 | CB1 | CC1 | HC1A | 65.3° | 65.4° |
CB1 | N1 | CB2 | HB2 | 177.2° | 173.1° |
CB1 | N1 | CB2 | HB2A | 57.2° | 66.5° |
CB2 | N1 | S1 | O1 | 179.1° | 23.3° |
CB2 | N1 | S1 | O2 | 48.2° | 156.1° |
CB2 | N1 | S1 | N2 | 65.7° | 90.3° |
CB2 | N1 | CB1 | CC1 | 58.9° | 53.3° |
N1 | CB2 | CC2 | CD1 | 59.7° | 54.4° |
N1 | CB2 | CC2 | HB2 | 120.0° | 119.9° |
N1 | CB2 | CC2 | HB2A | 120.0° | 119.9° |
CB2 | N1 | CB1 | HB1 | 61.1° | 66.4° |
CB2 | N1 | CB1 | HB1A | 178.8° | 173.2° |
N1 | CB2 | CC2 | HC2 | 179.7° | 174.5° |
N1 | CB2 | CC2 | HC2A | 60.3° | 65.5° |
N1 | CB2 | HB2 | HB2A | 119.9° | 120.4° |
O1 | S1 | O2 | N2 | 120.8° | 122.9° |
O1 | S1 | N2 | HN2 | 62.6° | 113.5° |
O1 | S1 | N2 | HN2A | 57.4° | 66.5° |
O2 | S1 | N2 | HN2 | 66.4° | 113.6° |
O2 | S1 | N2 | HN2A | 173.6° | 66.4° |
S1 | N2 | HN2 | HN2A | 120.0° | 180.0° |
CB1 | CC1 | CD1 | HC1 | 120.0° | 120.0° |
CB1 | CC1 | CD1 | HC1A | 120.0° | 119.9° |
CB1 | CC1 | CD1 | CC2 | 56.6° | 61.3° |
CC1 | CB1 | HB1 | HB1A | 120.3° | 120.4° |
CB1 | CC1 | HC1 | HC1A | 119.5° | 120.0° |
CB1 | CC1 | CD1 | HD1 | 63.4° | 58.7° |
CB1 | CC1 | CD1 | HD1A | 176.6° | 178.6° |
CC1 | CD1 | CC2 | HD1 | 120.0° | 120.0° |
CC1 | CD1 | CC2 | HD1A | 120.0° | 120.0° |
CC1 | CD1 | CC2 | CB2 | 58.1° | 61.2° |
CD1 | CC1 | CB1 | HB1 | 65.3° | 65.1° |
CD1 | CC1 | CB1 | HB1A | 174.8° | 174.4° |
CD1 | CC1 | HC1 | HC1A | 119.5° | 120.1° |
CC1 | CD1 | HD1 | HD1A | 119.4° | 119.9° |
CC1 | CD1 | CC2 | HC2 | 178.1° | 178.7° |
CC1 | CD1 | CC2 | HC2A | 61.9° | 58.6° |
CD1 | CC2 | CB2 | HC2 | 120.0° | 120.1° |
CD1 | CC2 | CB2 | HC2A | 120.0° | 119.9° |
CC2 | CD1 | CC1 | HC1 | 176.6° | 178.7° |
CC2 | CD1 | CC1 | HC1A | 63.4° | 58.6° |
CC2 | CD1 | HD1 | HD1A | 119.4° | 120.0° |
CD1 | CC2 | HC2 | HC2A | 120.8° | 120.1° |
CD1 | CC2 | CB2 | HB2 | 179.7° | 174.4° |
CD1 | CC2 | CB2 | HB2A | 60.3° | 65.5° |
CB2 | CC2 | CD1 | HD1 | 61.9° | 58.8° |
CB2 | CC2 | CD1 | HD1A | 178.1° | 178.8° |
CB2 | CC2 | HC2 | HC2A | 120.9° | 119.9° |
CC2 | CB2 | HB2 | HB2A | 120.0° | 120.0° |
HB1 | CB1 | CC1 | HC1 | 54.7° | 54.8° |
HB1 | CB1 | CC1 | HC1A | 174.7° | 174.9° |
HB1A | CB1 | CC1 | HC1 | 65.2° | 65.6° |
HB1A | CB1 | CC1 | HC1A | 54.7° | 54.5° |
HC1 | CC1 | CD1 | HD1 | 56.6° | 61.3° |
HC1 | CC1 | CD1 | HD1A | 63.4° | 58.7° |
HC1A | CC1 | CD1 | HD1 | 176.6° | 178.6° |
HC1A | CC1 | CD1 | HD1A | 56.6° | 61.5° |
HD1 | CD1 | CC2 | HC2 | 58.1° | 61.3° |
HD1 | CD1 | CC2 | HC2A | 178.1° | 178.6° |
HD1A | CD1 | CC2 | HC2 | 61.9° | 58.7° |
HD1A | CD1 | CC2 | HC2A | 58.1° | 61.3° |
HC2 | CC2 | CB2 | HB2 | 60.3° | 65.6° |
HC2 | CC2 | CB2 | HB2A | 59.7° | 54.6° |
HC2A | CC2 | CB2 | HB2 | 59.7° | 54.4° |
HC2A | CC2 | CB2 | HB2A | 179.7° | 174.6° |