ESG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O11 | sing | 1.34Å | 1.26Å | |
C1 | CA1 | sing | 1.51Å | 1.47Å | |
N1 | HN1 | sing | 1.01Å | 1.00Å | |
C2 | CA2 | sing | 1.51Å | 1.50Å | |
N2 | CD1 | sing | 1.35Å | 1.34Å | |
N2 | HN2 | sing | 0.97Å | 1.00Å | |
O2 | C2 | doub | 1.21Å | 1.23Å | |
C3 | CA3 | sing | 1.51Å | 1.51Å | |
C3 | O32 | sing | 1.34Å | 1.27Å | |
N3 | C2 | sing | 1.35Å | 1.33Å | |
N3 | HN3 | sing | 0.97Å | 1.00Å | |
C1' | C2' | sing | 1.53Å | 1.52Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C1' | H1'A | sing | 1.09Å | 1.10Å | |
C1' | H1'B | sing | 1.09Å | 1.10Å | |
N1' | C3' | sing | 1.34Å | 1.34Å | |
O11 | HO11 | sing | 0.97Å | 0.95Å | |
O12 | C1 | doub | 1.21Å | 1.28Å | |
C2' | N1' | sing | 1.47Å | 1.46Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
C2' | H2'A | sing | 1.09Å | 1.10Å | |
O2' | C6' | doub | 1.21Å | 1.22Å | |
C3' | O1' | doub | 1.21Å | 1.23Å | |
C3' | C4' | sing | 1.51Å | 1.51Å | |
O31 | C3 | doub | 1.21Å | 1.26Å | |
O32 | HO32 | sing | 0.97Å | 0.95Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C4' | H4'A | sing | 1.09Å | 1.10Å | |
C5' | C4' | sing | 1.54Å | 1.52Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C6' | N1' | sing | 1.34Å | 1.27Å | |
C6' | C5' | sing | 1.51Å | 1.51Å | |
CA1 | N1 | sing | 1.47Å | 1.27Å | |
CA2 | N2 | sing | 1.46Å | 1.46Å | |
CA2 | CB2 | sing | 1.53Å | 1.53Å | |
CA2 | HA2 | sing | 1.09Å | 1.10Å | |
CA3 | N3 | sing | 1.47Å | 1.45Å | |
CA3 | HA3 | sing | 1.09Å | 1.10Å | |
CA3 | HA3A | sing | 1.09Å | 1.10Å | |
CB1 | CA1 | sing | 1.53Å | 1.51Å | |
CB1 | CG1 | sing | 1.53Å | 1.52Å | |
CB1 | HB1 | sing | 1.09Å | 1.10Å | |
CB1 | HB1A | sing | 1.09Å | 1.10Å | |
CB2 | SG2 | sing | 1.81Å | 1.78Å | |
CB2 | HB2 | sing | 1.09Å | 1.10Å | |
CB2 | HB2A | sing | 1.09Å | 1.10Å | |
CD1 | CG1 | sing | 1.51Å | 1.51Å | |
OE1 | CD1 | doub | 1.21Å | 1.23Å | |
CG1 | HG1 | sing | 1.09Å | 1.10Å | |
CG1 | HG1A | sing | 1.09Å | 1.10Å | |
SG2 | C5' | sing | 1.81Å | 1.78Å | |
N1 | H23 | sing | 1.01Å | 1.00Å | |
CA1 | H24 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O11 | C1 | CA1 | 116.0° | 120.0° |
C1 | O11 | HO11 | 109.5° | 117.0° |
O11 | C1 | O12 | 122.7° | 120.0° |
CA1 | C1 | O12 | 121.3° | 120.0° |
C1 | CA1 | N1 | 118.3° | 109.5° |
C1 | CA1 | CB1 | 119.7° | 109.4° |
C1 | CA1 | H24 | 103.4° | 109.5° |
HN1 | N1 | CA1 | 109.5° | 111.0° |
HN1 | N1 | H23 | 109.5° | 111.0° |
CA2 | C2 | O2 | 122.0° | 120.0° |
CA2 | C2 | N3 | 115.4° | 120.0° |
C2 | CA2 | N2 | 111.8° | 109.5° |
C2 | CA2 | CB2 | 111.7° | 109.4° |
C2 | CA2 | HA2 | 105.3° | 109.5° |
CD1 | N2 | HN2 | 118.7° | 120.0° |
CD1 | N2 | CA2 | 122.7° | 120.0° |
N2 | CD1 | CG1 | 115.9° | 120.0° |
N2 | CD1 | OE1 | 124.0° | 120.0° |
HN2 | N2 | CA2 | 118.7° | 120.0° |
O2 | C2 | N3 | 122.6° | 120.0° |
CA3 | C3 | O32 | 118.1° | 120.0° |
CA3 | C3 | O31 | 117.8° | 120.0° |
C3 | CA3 | N3 | 106.1° | 109.5° |
C3 | CA3 | HA3 | 110.6° | 109.5° |
C3 | CA3 | HA3A | 110.6° | 109.5° |
O32 | C3 | O31 | 124.1° | 120.0° |
C3 | O32 | HO32 | 109.5° | 117.1° |
C2 | N3 | HN3 | 117.8° | 120.0° |
C2 | N3 | CA3 | 124.3° | 120.0° |
HN3 | N3 | CA3 | 117.9° | 119.9° |
C2' | C1' | H1' | 109.5° | 109.5° |
C2' | C1' | H1'A | 109.5° | 109.4° |
C2' | C1' | H1'B | 109.4° | 109.5° |
C1' | C2' | N1' | 111.9° | 109.5° |
C1' | C2' | H2' | 108.7° | 109.5° |
C1' | C2' | H2'A | 108.7° | 109.5° |
H1' | C1' | H1'A | 109.4° | 109.4° |
H1' | C1' | H1'B | 109.5° | 109.5° |
H1'A | C1' | H1'B | 109.5° | 109.5° |
C3' | N1' | C2' | 125.2° | 122.8° |
N1' | C3' | O1' | 127.3° | 125.4° |
N1' | C3' | C4' | 110.3° | 109.2° |
C3' | N1' | C6' | 109.6° | 114.5° |
N1' | C2' | H2' | 108.7° | 109.4° |
N1' | C2' | H2'A | 108.7° | 109.4° |
C2' | N1' | C6' | 125.2° | 122.8° |
H2' | C2' | H2'A | 110.3° | 109.5° |
O2' | C6' | N1' | 125.1° | 125.4° |
O2' | C6' | C5' | 122.2° | 125.4° |
O1' | C3' | C4' | 122.5° | 125.4° |
C3' | C4' | H4' | 112.3° | 110.6° |
C3' | C4' | H4'A | 112.3° | 110.6° |
C3' | C4' | C5' | 101.3° | 103.5° |
H4' | C4' | H4'A | 106.5° | 110.6° |
H4' | C4' | C5' | 112.3° | 110.6° |
H4'A | C4' | C5' | 112.3° | 110.8° |
C4' | C5' | H5' | 114.6° | 110.6° |
C4' | C5' | C6' | 101.7° | 103.6° |
C4' | C5' | SG2 | 111.3° | 110.6° |
H5' | C5' | C6' | 113.0° | 110.4° |
H5' | C5' | SG2 | 103.6° | 110.5° |
N1' | C6' | C5' | 112.7° | 109.2° |
C6' | C5' | SG2 | 113.0° | 111.0° |
N1 | CA1 | CB1 | 121.5° | 109.5° |
CA1 | N1 | H23 | 109.4° | 111.0° |
N1 | CA1 | H24 | 91.8° | 109.5° |
N2 | CA2 | CB2 | 106.1° | 109.5° |
N2 | CA2 | HA2 | 111.0° | 109.5° |
CB2 | CA2 | HA2 | 111.1° | 109.4° |
CA2 | CB2 | SG2 | 109.4° | 109.4° |
CA2 | CB2 | HB2 | 109.5° | 109.5° |
CA2 | CB2 | HB2A | 109.5° | 109.5° |
N3 | CA3 | HA3 | 110.6° | 109.4° |
N3 | CA3 | HA3A | 110.6° | 109.4° |
HA3 | CA3 | HA3A | 108.3° | 109.5° |
CA1 | CB1 | CG1 | 115.6° | 109.5° |
CA1 | CB1 | HB1 | 107.5° | 109.5° |
CA1 | CB1 | HB1A | 107.5° | 109.5° |
CB1 | CA1 | H24 | 82.5° | 109.5° |
CG1 | CB1 | HB1 | 107.5° | 109.5° |
CG1 | CB1 | HB1A | 107.5° | 109.5° |
CB1 | CG1 | CD1 | 105.1° | 109.5° |
CB1 | CG1 | HG1 | 110.9° | 109.4° |
CB1 | CG1 | HG1A | 110.9° | 109.5° |
HB1 | CB1 | HB1A | 111.4° | 109.5° |
SG2 | CB2 | HB2 | 109.5° | 109.5° |
SG2 | CB2 | HB2A | 109.5° | 109.5° |
CB2 | SG2 | C5' | 121.1° | 103.0° |
HB2 | CB2 | HB2A | 109.4° | 109.5° |
CG1 | CD1 | OE1 | 120.1° | 120.0° |
CD1 | CG1 | HG1 | 110.9° | 109.5° |
CD1 | CG1 | HG1A | 110.9° | 109.5° |
HG1 | CG1 | HG1A | 108.0° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O11 | C1 | CA1 | O12 | 179.5° | 179.8° |
O11 | C1 | CA1 | N1 | 29.0° | 160.0° |
O11 | C1 | CA1 | CB1 | 142.6° | 80.0° |
O11 | C1 | CA1 | H24 | 128.5° | 39.9° |
C1 | CA1 | N1 | HN1 | 180.0° | 60.0° |
CA1 | C1 | O11 | HO11 | 179.5° | 180.0° |
C1 | CA1 | N1 | CB1 | 171.5° | 119.9° |
C1 | CA1 | N1 | H24 | 106.3° | 120.0° |
C1 | CA1 | CB1 | H24 | 101.2° | 120.0° |
C1 | CA1 | CB1 | CG1 | 178.0° | 175.0° |
C1 | CA1 | CB1 | HB1 | 57.9° | 65.0° |
C1 | CA1 | CB1 | HB1A | 62.1° | 55.0° |
C1 | CA1 | N1 | H23 | 60.0° | 176.1° |
HN1 | N1 | CA1 | H23 | 120.0° | 124.0° |
HN1 | N1 | CA1 | CB1 | 8.5° | 60.0° |
HN1 | N1 | CA1 | H24 | 73.8° | 180.0° |
C2 | CA2 | N2 | CD1 | 93.7° | 85.0° |
C2 | CA2 | N2 | HN2 | 86.3° | 95.0° |
CA2 | C2 | O2 | N3 | 178.7° | 180.0° |
CA2 | C2 | N3 | HN3 | 1.5° | 0.1° |
C2 | CA2 | N2 | CB2 | 122.0° | 120.0° |
C2 | CA2 | N2 | HA2 | 117.2° | 120.1° |
C2 | CA2 | CB2 | HA2 | 117.2° | 120.0° |
CA2 | C2 | N3 | CA3 | 178.5° | 180.0° |
C2 | CA2 | CB2 | SG2 | 164.9° | 180.0° |
C2 | CA2 | CB2 | HB2 | 75.1° | 60.0° |
C2 | CA2 | CB2 | HB2A | 44.9° | 60.0° |
CD1 | N2 | HN2 | CA2 | 180.0° | 180.0° |
CD1 | N2 | CA2 | CB2 | 144.3° | 155.0° |
CD1 | N2 | CA2 | HA2 | 23.5° | 35.0° |
N2 | CD1 | CG1 | CB1 | 120.2° | 180.0° |
N2 | CD1 | CG1 | OE1 | 179.3° | 180.0° |
N2 | CD1 | CG1 | HG1 | 119.8° | 60.0° |
N2 | CD1 | CG1 | HG1A | 0.3° | 60.0° |
HN2 | N2 | CA2 | CB2 | 35.7° | 25.0° |
HN2 | N2 | CA2 | HA2 | 156.5° | 145.0° |
HN2 | N2 | CD1 | CG1 | 0.2° | 0.0° |
HN2 | N2 | CD1 | OE1 | 179.5° | 180.0° |
O2 | C2 | N3 | HN3 | 177.2° | 180.0° |
O2 | C2 | CA2 | N2 | 44.7° | 0.0° |
O2 | C2 | CA2 | CB2 | 74.0° | 120.0° |
O2 | C2 | CA2 | HA2 | 165.3° | 120.0° |
O2 | C2 | N3 | CA3 | 2.8° | 0.0° |
CA3 | C3 | O32 | O31 | 178.3° | 180.0° |
C3 | CA3 | N3 | C2 | 68.5° | 180.0° |
C3 | CA3 | N3 | HN3 | 111.5° | 0.0° |
CA3 | C3 | O32 | HO32 | 178.4° | 180.0° |
C3 | CA3 | N3 | HA3 | 120.0° | 120.0° |
C3 | CA3 | N3 | HA3A | 120.0° | 120.0° |
C3 | CA3 | HA3 | HA3A | 121.4° | 120.0° |
O32 | C3 | CA3 | N3 | 38.6° | 180.0° |
O32 | C3 | CA3 | HA3 | 81.4° | 60.0° |
O32 | C3 | CA3 | HA3A | 158.6° | 60.0° |
C2 | N3 | HN3 | CA3 | 180.0° | 180.0° |
N3 | C2 | CA2 | N2 | 134.0° | 180.0° |
N3 | C2 | CA2 | CB2 | 107.3° | 60.0° |
N3 | C2 | CA2 | HA2 | 13.4° | 59.9° |
C2 | N3 | CA3 | HA3 | 171.5° | 60.0° |
C2 | N3 | CA3 | HA3A | 51.5° | 60.0° |
HN3 | N3 | CA3 | HA3 | 8.5° | 120.0° |
HN3 | N3 | CA3 | HA3A | 128.5° | 120.0° |
C2' | C1' | H1' | H1'A | 120.0° | 120.0° |
C2' | C1' | H1' | H1'B | 120.0° | 120.0° |
C2' | C1' | H1'A | H1'B | 120.0° | 120.0° |
C1' | C2' | N1' | C3' | 104.0° | 90.0° |
C1' | C2' | N1' | H2' | 120.0° | 120.0° |
C1' | C2' | N1' | H2'A | 120.0° | 120.0° |
C1' | C2' | H2' | H2'A | 119.0° | 120.0° |
C1' | C2' | N1' | C6' | 76.1° | 90.2° |
H1' | C1' | H1'A | H1'B | 120.0° | 120.0° |
H1' | C1' | C2' | N1' | 180.0° | 60.0° |
H1' | C1' | C2' | H2' | 60.0° | 60.0° |
H1' | C1' | C2' | H2'A | 60.0° | 180.0° |
H1'A | C1' | C2' | N1' | 60.0° | 60.0° |
H1'A | C1' | C2' | H2' | 60.0° | 180.0° |
H1'A | C1' | C2' | H2'A | 180.0° | 60.0° |
H1'B | C1' | C2' | N1' | 60.0° | 180.0° |
H1'B | C1' | C2' | H2' | 180.0° | 60.0° |
H1'B | C1' | C2' | H2'A | 60.0° | 60.0° |
C3' | N1' | C2' | C6' | 179.9° | 179.8° |
C3' | N1' | C2' | H2' | 16.0° | 30.0° |
C3' | N1' | C2' | H2'A | 136.0° | 150.0° |
C3' | N1' | C6' | O2' | 158.6° | 180.0° |
N1' | C3' | O1' | C4' | 178.0° | 179.9° |
N1' | C3' | C4' | H4' | 103.4° | 118.5° |
N1' | C3' | C4' | H4'A | 136.5° | 118.6° |
N1' | C3' | C4' | C5' | 16.5° | 0.1° |
C3' | N1' | C6' | C5' | 19.0° | 0.4° |
HO11 | O11 | C1 | O12 | 0.0° | 0.2° |
O12 | C1 | CA1 | N1 | 151.5° | 20.2° |
O12 | C1 | CA1 | CB1 | 36.9° | 99.7° |
O12 | C1 | CA1 | H24 | 52.0° | 140.3° |
N1' | C2' | H2' | H2'A | 119.0° | 119.9° |
C2' | N1' | C6' | O2' | 21.3° | 0.3° |
C2' | N1' | C3' | O1' | 24.4° | 0.1° |
C2' | N1' | C3' | C4' | 157.4° | 180.0° |
C2' | N1' | C6' | C5' | 161.1° | 179.8° |
H2' | C2' | N1' | C6' | 163.9° | 149.7° |
H2'A | C2' | N1' | C6' | 43.9° | 29.8° |
O2' | C6' | C5' | C4' | 170.1° | 180.0° |
O2' | C6' | C5' | H5' | 46.8° | 61.7° |
O2' | C6' | N1' | C5' | 177.6° | 179.5° |
O2' | C6' | C5' | SG2 | 70.5° | 61.2° |
O1' | C3' | C4' | H4' | 78.2° | 61.6° |
O1' | C3' | C4' | H4'A | 41.8° | 61.3° |
O1' | C3' | C4' | C5' | 161.8° | 180.0° |
O1' | C3' | N1' | C6' | 155.5° | 179.7° |
C3' | C4' | H4' | H4'A | 123.3° | 122.9° |
C3' | C4' | H4' | C5' | 113.4° | 114.1° |
C3' | C4' | H4'A | C5' | 113.4° | 114.2° |
C3' | C4' | C5' | H5' | 116.9° | 118.5° |
C4' | C3' | N1' | C6' | 22.7° | 0.2° |
C3' | C4' | C5' | C6' | 5.3° | 0.3° |
C3' | C4' | C5' | SG2 | 125.9° | 118.7° |
O31 | C3 | O32 | HO32 | 0.0° | 0.0° |
O31 | C3 | CA3 | N3 | 139.9° | 0.0° |
O31 | C3 | CA3 | HA3 | 100.1° | 120.0° |
O31 | C3 | CA3 | HA3A | 19.9° | 120.0° |
H4' | C4' | H4'A | C5' | 123.3° | 123.0° |
H4' | C4' | C5' | H5' | 123.1° | 123.0° |
H4' | C4' | C5' | C6' | 114.7° | 118.7° |
H4' | C4' | C5' | SG2 | 5.9° | 0.2° |
H4'A | C4' | C5' | H5' | 3.1° | 0.0° |
H4'A | C4' | C5' | C6' | 125.3° | 118.3° |
H4'A | C4' | C5' | SG2 | 114.1° | 122.7° |
C4' | C5' | H5' | C6' | 115.9° | 114.0° |
C4' | C5' | H5' | SG2 | 121.5° | 122.8° |
C4' | C5' | C6' | N1' | 7.6° | 0.4° |
C4' | C5' | C6' | SG2 | 119.4° | 118.7° |
C4' | C5' | SG2 | CB2 | 156.9° | 174.9° |
H5' | C5' | C6' | N1' | 130.9° | 118.8° |
H5' | C5' | C6' | SG2 | 117.3° | 122.9° |
H5' | C5' | SG2 | CB2 | 79.4° | 52.2° |
N1' | C6' | C5' | SG2 | 111.8° | 118.3° |
C6' | C5' | SG2 | CB2 | 43.2° | 70.7° |
N1 | CA1 | CB1 | H24 | 87.5° | 120.0° |
N1 | CA1 | CB1 | CG1 | 6.6° | 65.0° |
N1 | CA1 | CB1 | HB1 | 113.4° | 54.9° |
N1 | CA1 | CB1 | HB1A | 126.6° | 175.0° |
N2 | CA2 | CB2 | HA2 | 120.7° | 120.0° |
N2 | CA2 | CB2 | SG2 | 73.0° | 60.0° |
N2 | CA2 | CB2 | HB2 | 47.0° | 60.0° |
N2 | CA2 | CB2 | HB2A | 167.0° | 180.0° |
CA2 | N2 | CD1 | CG1 | 179.8° | 180.0° |
CA2 | N2 | CD1 | OE1 | 0.5° | 0.0° |
CA2 | CB2 | SG2 | HB2 | 120.0° | 120.0° |
CA2 | CB2 | SG2 | HB2A | 120.0° | 120.0° |
CA2 | CB2 | HB2 | HB2A | 120.0° | 120.0° |
CA2 | CB2 | SG2 | C5' | 73.7° | 180.0° |
HA2 | CA2 | CB2 | SG2 | 47.7° | 60.1° |
HA2 | CA2 | CB2 | HB2 | 167.7° | 180.0° |
HA2 | CA2 | CB2 | HB2A | 72.3° | 60.0° |
N3 | CA3 | HA3 | HA3A | 121.4° | 120.0° |
CA1 | CB1 | CG1 | HB1 | 120.0° | 120.0° |
CA1 | CB1 | CG1 | HB1A | 120.0° | 120.0° |
CA1 | CB1 | HB1 | HB1A | 117.5° | 120.0° |
CA1 | CB1 | CG1 | CD1 | 173.2° | 180.0° |
CA1 | CB1 | CG1 | HG1 | 66.8° | 60.0° |
CA1 | CB1 | CG1 | HG1A | 53.2° | 60.0° |
CB1 | CA1 | N1 | H23 | 128.5° | 64.0° |
CG1 | CB1 | HB1 | HB1A | 117.5° | 120.0° |
CB1 | CG1 | CD1 | HG1 | 120.0° | 120.0° |
CB1 | CG1 | CD1 | HG1A | 120.0° | 120.0° |
CB1 | CG1 | CD1 | OE1 | 60.5° | 0.0° |
CB1 | CG1 | HG1 | HG1A | 121.8° | 120.0° |
CG1 | CB1 | CA1 | H24 | 80.9° | 55.0° |
HB1 | CB1 | CG1 | CD1 | 53.2° | 60.0° |
HB1 | CB1 | CG1 | HG1 | 173.2° | 179.9° |
HB1 | CB1 | CG1 | HG1A | 66.8° | 60.0° |
HB1 | CB1 | CA1 | H24 | 159.1° | 175.0° |
HB1A | CB1 | CG1 | CD1 | 66.8° | 60.0° |
HB1A | CB1 | CG1 | HG1 | 53.2° | 60.0° |
HB1A | CB1 | CG1 | HG1A | 173.2° | 180.0° |
HB1A | CB1 | CA1 | H24 | 39.1° | 65.0° |
SG2 | CB2 | HB2 | HB2A | 120.1° | 120.0° |
HB2 | CB2 | SG2 | C5' | 166.3° | 60.0° |
HB2A | CB2 | SG2 | C5' | 46.3° | 60.0° |
CD1 | CG1 | HG1 | HG1A | 121.8° | 120.0° |
OE1 | CD1 | CG1 | HG1 | 59.5° | 120.0° |
OE1 | CD1 | CG1 | HG1A | 179.6° | 120.0° |
H23 | N1 | CA1 | H24 | 46.3° | 56.0° |