SN0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CA | C | sing | 1.51Å | 1.54Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
CA | N1 | sing | 1.46Å | 1.47Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
C | O | sing | 1.34Å | 1.26Å | |
C | OXT | doub | 1.21Å | 1.25Å | |
O | HO | sing | 0.97Å | 0.95Å | |
CB | CG | sing | 1.53Å | 1.52Å | |
CB | HB1 | sing | 1.09Å | 1.10Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CG | CD | sing | 1.53Å | 1.51Å | |
CG | HG1 | sing | 1.09Å | 1.10Å | |
CG | HG2 | sing | 1.09Å | 1.10Å | |
CD | HD1A | sing | 1.09Å | 1.10Å | |
CD | HD2 | sing | 1.09Å | 1.10Å | |
CD | HD3 | sing | 1.09Å | 1.10Å | |
N1 | C1 | sing | 1.35Å | 1.33Å | |
N1 | HN1 | sing | 0.97Å | 1.00Å | |
C1 | O1 | doub | 1.21Å | 1.23Å | |
C1 | C2 | sing | 1.51Å | 1.49Å | |
C2 | C3 | sing | 1.53Å | 1.51Å | |
C2 | H21 | sing | 1.09Å | 1.10Å | |
C2 | H22 | sing | 1.09Å | 1.10Å | |
C3 | C4 | sing | 1.51Å | 1.50Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
C4 | OD1 | sing | 1.34Å | 1.26Å | |
C4 | OD2 | doub | 1.21Å | 1.25Å | |
OD1 | HD1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C | CA | CB | 109.9° | 109.5° |
C | CA | N1 | 115.9° | 109.5° |
C | CA | HA | 104.8° | 109.5° |
CA | C | O | 117.7° | 120.0° |
CA | C | OXT | 118.8° | 120.0° |
CB | CA | N1 | 110.0° | 109.5° |
CB | CA | HA | 111.3° | 109.5° |
CA | CB | CG | 114.4° | 109.5° |
CA | CB | HB1 | 106.8° | 109.5° |
CA | CB | HB2 | 107.9° | 109.5° |
N1 | CA | HA | 104.7° | 109.5° |
CA | N1 | C1 | 123.3° | 120.0° |
CA | N1 | HN1 | 118.4° | 120.0° |
O | C | OXT | 123.5° | 120.0° |
C | O | HO | 109.5° | 120.0° |
CG | CB | HB1 | 106.7° | 109.5° |
CG | CB | HB2 | 107.9° | 109.5° |
CB | CG | CD | 110.8° | 109.5° |
CB | CG | HG1 | 108.7° | 109.5° |
CB | CG | HG2 | 109.0° | 109.5° |
HB1 | CB | HB2 | 113.4° | 109.4° |
CD | CG | HG1 | 108.7° | 109.5° |
CD | CG | HG2 | 109.0° | 109.4° |
CG | CD | HD1A | 109.5° | 109.5° |
CG | CD | HD2 | 109.5° | 109.5° |
CG | CD | HD3 | 109.5° | 109.5° |
HG1 | CG | HG2 | 110.6° | 109.5° |
HD1A | CD | HD2 | 109.5° | 109.4° |
HD1A | CD | HD3 | 109.5° | 109.5° |
HD2 | CD | HD3 | 109.4° | 109.4° |
C1 | N1 | HN1 | 118.4° | 120.0° |
N1 | C1 | O1 | 122.0° | 120.0° |
N1 | C1 | C2 | 114.3° | 120.0° |
O1 | C1 | C2 | 123.8° | 120.0° |
C1 | C2 | C3 | 110.8° | 109.4° |
C1 | C2 | H21 | 108.7° | 109.5° |
C1 | C2 | H22 | 109.0° | 109.4° |
C3 | C2 | H21 | 108.7° | 109.5° |
C3 | C2 | H22 | 109.0° | 109.5° |
C2 | C3 | C4 | 112.2° | 109.5° |
C2 | C3 | H31 | 107.9° | 109.5° |
C2 | C3 | H32 | 108.6° | 109.5° |
H21 | C2 | H22 | 110.5° | 109.5° |
C4 | C3 | H31 | 107.9° | 109.4° |
C4 | C3 | H32 | 108.6° | 109.5° |
C3 | C4 | OD1 | 122.3° | 120.0° |
C3 | C4 | OD2 | 114.3° | 120.0° |
H31 | C3 | H32 | 111.7° | 109.5° |
OD1 | C4 | OD2 | 123.3° | 119.9° |
C4 | OD1 | HD1 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C | CA | CB | N1 | 128.7° | 120.0° |
C | CA | CB | HA | 115.7° | 120.0° |
C | CA | N1 | HA | 114.9° | 120.0° |
CA | C | O | OXT | 179.7° | 179.9° |
CA | C | O | HO | 179.7° | 179.9° |
C | CA | CB | CG | 56.4° | 175.0° |
C | CA | CB | HB1 | 174.3° | 55.0° |
C | CA | CB | HB2 | 63.5° | 65.0° |
C | CA | N1 | C1 | 107.5° | 85.0° |
C | CA | N1 | HN1 | 72.5° | 95.0° |
CB | CA | N1 | HA | 119.7° | 120.0° |
CB | CA | C | O | 53.8° | 60.0° |
CB | CA | C | OXT | 126.0° | 120.0° |
CA | CB | CG | HB1 | 117.8° | 120.0° |
CA | CB | CG | HB2 | 120.0° | 120.0° |
CA | CB | HB1 | HB2 | 118.7° | 120.0° |
CA | CB | CG | CD | 175.9° | 180.0° |
CA | CB | CG | HG1 | 56.5° | 60.0° |
CA | CB | CG | HG2 | 64.1° | 60.0° |
CB | CA | N1 | C1 | 127.1° | 155.0° |
CB | CA | N1 | HN1 | 52.9° | 25.0° |
N1 | CA | C | O | 179.2° | 180.0° |
N1 | CA | C | OXT | 0.5° | 0.0° |
N1 | CA | CB | CG | 72.3° | 65.0° |
N1 | CA | CB | HB1 | 45.5° | 175.0° |
N1 | CA | CB | HB2 | 167.7° | 55.0° |
CA | N1 | C1 | HN1 | 180.0° | 180.0° |
CA | N1 | C1 | O1 | 3.6° | 0.1° |
CA | N1 | C1 | C2 | 176.2° | 180.0° |
HA | CA | C | O | 66.0° | 60.0° |
HA | CA | C | OXT | 114.3° | 120.1° |
HA | CA | CB | CG | 172.1° | 55.0° |
HA | CA | CB | HB1 | 70.1° | 65.0° |
HA | CA | CB | HB2 | 52.1° | 175.0° |
HA | CA | N1 | C1 | 7.4° | 35.0° |
HA | CA | N1 | HN1 | 172.6° | 145.0° |
OXT | C | O | HO | 0.0° | 0.0° |
CG | CB | HB1 | HB2 | 118.6° | 120.0° |
CB | CG | CD | HG1 | 119.4° | 120.0° |
CB | CG | CD | HG2 | 120.0° | 120.0° |
CB | CG | HG1 | HG2 | 119.6° | 120.0° |
CB | CG | CD | HD1A | 36.5° | 60.0° |
CB | CG | CD | HD2 | 83.5° | 60.0° |
CB | CG | CD | HD3 | 156.5° | 180.0° |
HB1 | CB | CG | CD | 66.3° | 60.0° |
HB1 | CB | CG | HG1 | 174.3° | 180.0° |
HB1 | CB | CG | HG2 | 53.7° | 60.0° |
HB2 | CB | CG | CD | 55.9° | 60.0° |
HB2 | CB | CG | HG1 | 63.5° | 60.0° |
HB2 | CB | CG | HG2 | 175.9° | 179.9° |
CD | CG | HG1 | HG2 | 119.6° | 119.9° |
CG | CD | HD1A | HD2 | 120.0° | 120.0° |
CG | CD | HD1A | HD3 | 120.0° | 120.1° |
CG | CD | HD2 | HD3 | 120.0° | 120.1° |
HG1 | CG | CD | HD1A | 155.9° | 60.0° |
HG1 | CG | CD | HD2 | 35.9° | 180.0° |
HG1 | CG | CD | HD3 | 84.1° | 60.0° |
HG2 | CG | CD | HD1A | 83.5° | 180.0° |
HG2 | CG | CD | HD2 | 156.5° | 60.0° |
HG2 | CG | CD | HD3 | 36.5° | 60.0° |
HD1A | CD | HD2 | HD3 | 120.0° | 120.0° |
N1 | C1 | O1 | C2 | 179.7° | 179.9° |
N1 | C1 | C2 | C3 | 172.8° | 180.0° |
N1 | C1 | C2 | H21 | 53.4° | 59.9° |
N1 | C1 | C2 | H22 | 67.2° | 60.1° |
HN1 | N1 | C1 | O1 | 176.4° | 180.0° |
HN1 | N1 | C1 | C2 | 3.8° | 0.1° |
O1 | C1 | C2 | C3 | 7.4° | 0.1° |
O1 | C1 | C2 | H21 | 126.8° | 120.0° |
O1 | C1 | C2 | H22 | 112.6° | 120.0° |
C1 | C2 | C3 | H21 | 119.4° | 120.1° |
C1 | C2 | C3 | H22 | 120.0° | 119.9° |
C1 | C2 | H21 | H22 | 119.6° | 120.0° |
C1 | C2 | C3 | C4 | 165.7° | 179.9° |
C1 | C2 | C3 | H31 | 46.9° | 60.0° |
C1 | C2 | C3 | H32 | 74.3° | 60.1° |
C3 | C2 | H21 | H22 | 119.6° | 120.0° |
C2 | C3 | C4 | H31 | 118.8° | 120.0° |
C2 | C3 | C4 | H32 | 120.0° | 120.0° |
C2 | C3 | H31 | H32 | 119.2° | 120.0° |
C2 | C3 | C4 | OD1 | 16.8° | 180.0° |
C2 | C3 | C4 | OD2 | 163.4° | 0.0° |
H21 | C2 | C3 | C4 | 74.9° | 60.0° |
H21 | C2 | C3 | H31 | 166.3° | 179.9° |
H21 | C2 | C3 | H32 | 45.1° | 60.0° |
H22 | C2 | C3 | C4 | 45.7° | 60.0° |
H22 | C2 | C3 | H31 | 73.1° | 59.9° |
H22 | C2 | C3 | H32 | 165.7° | 180.0° |
C4 | C3 | H31 | H32 | 119.2° | 120.0° |
C3 | C4 | OD1 | OD2 | 179.8° | 180.0° |
C3 | C4 | OD1 | HD1 | 179.8° | 180.0° |
H31 | C3 | C4 | OD1 | 135.6° | 60.0° |
H31 | C3 | C4 | OD2 | 44.6° | 120.0° |
H32 | C3 | C4 | OD1 | 103.2° | 60.0° |
H32 | C3 | C4 | OD2 | 76.6° | 119.9° |
OD2 | C4 | OD1 | HD1 | 0.0° | 0.0° |