Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | CA1 | sing | 1.47Å | 1.50Å | |
N1 | HN11 | sing | 1.01Å | 1.02Å | |
N1 | HN12 | sing | 1.01Å | 1.02Å | |
CA1 | C1 | sing | 1.51Å | 1.49Å | |
CA1 | CB1 | sing | 1.53Å | 1.51Å | |
CA1 | HA1 | sing | 1.09Å | 1.11Å | |
C1 | O11 | doub | 1.34Å | 1.20Å | |
C1 | O12 | sing | 1.21Å | 1.39Å | |
O12 | HO2 | sing | 8.47Å | 0.95Å | |
CB1 | CG1 | sing | 1.53Å | 1.58Å | |
CB1 | HB11 | sing | 1.09Å | 1.12Å | |
CB1 | HB12 | sing | 1.09Å | 1.12Å | |
CG1 | CD1 | sing | 1.51Å | 1.54Å | |
CG1 | HG11 | sing | 1.09Å | 1.12Å | |
CG1 | HG12 | sing | 1.09Å | 1.11Å | |
CD1 | OE1 | doub | 1.21Å | 1.26Å | |
CD1 | N2 | sing | 1.35Å | 1.33Å | |
N2 | CA2 | sing | 1.46Å | 1.46Å | |
N2 | HN2 | sing | 0.97Å | 1.02Å | |
CA2 | C2 | sing | 1.51Å | 1.53Å | |
CA2 | CB2 | sing | 1.53Å | 1.55Å | |
CA2 | HA2 | sing | 1.09Å | 1.12Å | |
C2 | O2 | doub | 1.21Å | 1.22Å | |
C2 | N3 | sing | 1.35Å | 1.32Å | |
CB2 | SG2 | sing | 1.81Å | 1.78Å | |
CB2 | HB21 | sing | 1.09Å | 1.11Å | |
CB2 | HB22 | sing | 1.09Å | 1.11Å | |
SG2 | C1' | sing | 1.76Å | 1.73Å | |
N3 | CA3 | sing | 1.46Å | 1.48Å | |
N3 | HN3 | sing | 0.97Å | 1.02Å | |
CA3 | C3 | sing | 1.51Å | 1.49Å | |
CA3 | HA31 | sing | 1.09Å | 1.11Å | |
CA3 | HA32 | sing | 1.09Å | 1.11Å | |
C3 | O31 | doub | 1.34Å | 1.26Å | |
C3 | O32 | sing | 1.21Å | 1.35Å | |
O32 | HO3 | sing | 5.80Å | 0.95Å | |
C1' | C2' | doub | 1.39Å | 1.41Å | Aromatic |
C1' | C6' | sing | 1.39Å | 1.44Å | Aromatic |
C2' | N2' | sing | 1.48Å | 1.48Å | |
C2' | C3' | sing | 1.38Å | 1.43Å | Aromatic |
N2' | O21 | doub | 1.22Å | 1.24Å | |
N2' | O22 | doub | 1.22Å | 1.28Å | |
C3' | C4' | doub | 1.38Å | 1.43Å | Aromatic |
C3' | H3' | sing | 1.08Å | 1.10Å | |
C4' | N4' | sing | 1.48Å | 1.41Å | |
C4' | C5' | sing | 1.38Å | 1.41Å | Aromatic |
N4' | O41 | doub | 1.22Å | 1.36Å | |
N4' | O42 | doub | 1.22Å | 1.38Å | |
C5' | C6' | doub | 1.38Å | 1.40Å | Aromatic |
C5' | H5' | sing | 1.08Å | 1.10Å | |
C6' | H6' | sing | 1.08Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA1 | N1 | HN11 | 113.2° | 106.7° |
CA1 | N1 | HN12 | 110.8° | 106.7° |
N1 | CA1 | C1 | 113.2° | 109.5° |
N1 | CA1 | CB1 | 109.0° | 109.4° |
N1 | CA1 | HA1 | 109.2° | 109.5° |
HN11 | N1 | HN12 | 110.7° | 106.7° |
C1 | CA1 | CB1 | 114.7° | 109.5° |
C1 | CA1 | HA1 | 102.8° | 109.5° |
CA1 | C1 | O11 | 129.4° | 120.0° |
CA1 | C1 | O12 | 108.2° | 120.0° |
CB1 | CA1 | HA1 | 107.5° | 109.5° |
CA1 | CB1 | CG1 | 109.3° | 109.5° |
CA1 | CB1 | HB11 | 112.3° | 109.5° |
CA1 | CB1 | HB12 | 112.3° | 109.4° |
O11 | C1 | O12 | 122.4° | 120.0° |
C1 | O12 | HO2 | 108.3° | 43.7° |
CG1 | CB1 | HB11 | 112.3° | 109.5° |
CG1 | CB1 | HB12 | 112.2° | 109.4° |
CB1 | CG1 | CD1 | 108.2° | 109.5° |
CB1 | CG1 | HG11 | 112.6° | 109.5° |
CB1 | CG1 | HG12 | 112.7° | 109.4° |
HB11 | CB1 | HB12 | 98.1° | 109.5° |
CD1 | CG1 | HG11 | 112.7° | 109.5° |
CD1 | CG1 | HG12 | 112.7° | 109.5° |
CG1 | CD1 | OE1 | 119.0° | 120.0° |
CG1 | CD1 | N2 | 112.3° | 120.0° |
HG11 | CG1 | HG12 | 97.8° | 109.4° |
OE1 | CD1 | N2 | 128.7° | 120.0° |
CD1 | N2 | CA2 | 124.5° | 120.0° |
CD1 | N2 | HN2 | 113.0° | 120.0° |
CA2 | N2 | HN2 | 122.5° | 120.0° |
N2 | CA2 | C2 | 109.2° | 109.5° |
N2 | CA2 | CB2 | 111.1° | 109.5° |
N2 | CA2 | HA2 | 109.9° | 109.5° |
C2 | CA2 | CB2 | 113.1° | 109.5° |
C2 | CA2 | HA2 | 107.8° | 109.5° |
CA2 | C2 | O2 | 116.0° | 120.0° |
CA2 | C2 | N3 | 120.4° | 120.0° |
CB2 | CA2 | HA2 | 105.7° | 109.4° |
CA2 | CB2 | SG2 | 110.0° | 109.5° |
CA2 | CB2 | HB21 | 112.1° | 109.4° |
CA2 | CB2 | HB22 | 112.1° | 109.5° |
O2 | C2 | N3 | 123.7° | 120.0° |
C2 | N3 | CA3 | 119.3° | 120.0° |
C2 | N3 | HN3 | 114.6° | 120.0° |
SG2 | CB2 | HB21 | 112.0° | 109.5° |
SG2 | CB2 | HB22 | 112.0° | 109.5° |
CB2 | SG2 | C1' | 114.4° | 100.0° |
HB21 | CB2 | HB22 | 98.4° | 109.6° |
SG2 | C1' | C2' | 119.3° | 120.1° |
SG2 | C1' | C6' | 119.2° | 120.1° |
CA3 | N3 | HN3 | 126.0° | 120.0° |
N3 | CA3 | C3 | 111.3° | 109.4° |
N3 | CA3 | HA31 | 111.5° | 109.5° |
N3 | CA3 | HA32 | 111.5° | 109.5° |
C3 | CA3 | HA31 | 111.5° | 109.5° |
C3 | CA3 | HA32 | 111.6° | 109.5° |
CA3 | C3 | O31 | 122.7° | 120.0° |
CA3 | C3 | O32 | 123.4° | 120.0° |
HA31 | CA3 | HA32 | 98.8° | 109.5° |
O31 | C3 | O32 | 113.9° | 120.0° |
C3 | O32 | HO3 | 123.4° | 92.2° |
C2' | C1' | C6' | 121.4° | 119.8° |
C1' | C2' | N2' | 127.7° | 120.1° |
C1' | C2' | C3' | 117.7° | 120.0° |
C1' | C6' | C5' | 120.3° | 119.9° |
C1' | C6' | H6' | 121.4° | 120.0° |
N2' | C2' | C3' | 114.5° | 120.0° |
C2' | N2' | O21 | 123.0° | 120.1° |
C2' | N2' | O22 | 113.7° | 120.0° |
C2' | C3' | C4' | 120.3° | 120.0° |
C2' | C3' | H3' | 119.9° | 120.0° |
O21 | N2' | O22 | 123.3° | 119.9° |
C4' | C3' | H3' | 119.9° | 120.0° |
C3' | C4' | N4' | 119.6° | 119.9° |
C3' | C4' | C5' | 121.5° | 120.2° |
N4' | C4' | C5' | 118.9° | 119.9° |
C4' | N4' | O41 | 119.9° | 120.0° |
C4' | N4' | O42 | 122.7° | 120.0° |
C4' | C5' | C6' | 118.7° | 120.1° |
C4' | C5' | H5' | 121.0° | 120.0° |
O41 | N4' | O42 | 117.4° | 120.0° |
C6' | C5' | H5' | 120.3° | 119.9° |
C5' | C6' | H6' | 118.3° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA1 | N1 | HN11 | HN12 | 125.2° | 113.8° |
N1 | CA1 | C1 | CB1 | 126.0° | 120.0° |
N1 | CA1 | C1 | HA1 | 117.6° | 120.0° |
N1 | CA1 | CB1 | HA1 | 118.2° | 120.0° |
N1 | CA1 | C1 | O11 | 151.9° | 160.0° |
N1 | CA1 | C1 | O12 | 27.7° | 20.0° |
N1 | CA1 | CB1 | CG1 | 161.7° | 65.0° |
N1 | CA1 | CB1 | HB11 | 36.4° | 55.1° |
N1 | CA1 | CB1 | HB12 | 73.1° | 175.0° |
HN11 | N1 | CA1 | C1 | 180.0° | 60.0° |
HN11 | N1 | CA1 | CB1 | 51.0° | 60.0° |
HN11 | N1 | CA1 | HA1 | 66.2° | 180.0° |
HN12 | N1 | CA1 | C1 | 54.8° | 173.8° |
HN12 | N1 | CA1 | CB1 | 74.2° | 53.8° |
HN12 | N1 | CA1 | HA1 | 168.6° | 66.2° |
C1 | CA1 | CB1 | HA1 | 113.6° | 120.0° |
CA1 | C1 | O11 | O12 | 179.5° | 179.9° |
CA1 | C1 | O12 | HO2 | 179.9° | 37.1° |
C1 | CA1 | CB1 | CG1 | 70.2° | 175.0° |
C1 | CA1 | CB1 | HB11 | 164.5° | 64.9° |
C1 | CA1 | CB1 | HB12 | 55.1° | 55.1° |
CB1 | CA1 | C1 | O11 | 82.1° | 80.0° |
CB1 | CA1 | C1 | O12 | 98.3° | 99.9° |
CA1 | CB1 | CG1 | HB11 | 125.3° | 120.1° |
CA1 | CB1 | CG1 | HB12 | 125.3° | 119.9° |
CA1 | CB1 | HB11 | HB12 | 118.2° | 119.9° |
CA1 | CB1 | CG1 | CD1 | 178.8° | 180.0° |
CA1 | CB1 | CG1 | HG11 | 56.0° | 59.9° |
CA1 | CB1 | CG1 | HG12 | 53.5° | 60.0° |
HA1 | CA1 | C1 | O11 | 34.2° | 40.0° |
HA1 | CA1 | C1 | O12 | 145.4° | 140.1° |
HA1 | CA1 | CB1 | CG1 | 43.4° | 54.9° |
HA1 | CA1 | CB1 | HB11 | 81.9° | 175.0° |
HA1 | CA1 | CB1 | HB12 | 168.7° | 65.0° |
O11 | C1 | O12 | HO2 | 0.4° | 142.8° |
CG1 | CB1 | HB11 | HB12 | 118.1° | 120.0° |
CB1 | CG1 | CD1 | HG11 | 125.2° | 120.1° |
CB1 | CG1 | CD1 | HG12 | 125.3° | 120.0° |
CB1 | CG1 | HG11 | HG12 | 118.6° | 120.0° |
CB1 | CG1 | CD1 | OE1 | 4.7° | 0.0° |
CB1 | CG1 | CD1 | N2 | 174.7° | 180.0° |
HB11 | CB1 | CG1 | CD1 | 53.4° | 60.0° |
HB11 | CB1 | CG1 | HG11 | 178.7° | 180.0° |
HB11 | CB1 | CG1 | HG12 | 71.8° | 60.0° |
HB12 | CB1 | CG1 | CD1 | 56.0° | 60.1° |
HB12 | CB1 | CG1 | HG11 | 69.3° | 60.0° |
HB12 | CB1 | CG1 | HG12 | 178.8° | 179.9° |
CD1 | CG1 | HG11 | HG12 | 118.6° | 120.0° |
CG1 | CD1 | OE1 | N2 | 179.4° | 180.0° |
CG1 | CD1 | N2 | CA2 | 179.3° | 180.0° |
CG1 | CD1 | N2 | HN2 | 0.7° | 0.0° |
HG11 | CG1 | CD1 | OE1 | 120.5° | 120.0° |
HG11 | CG1 | CD1 | N2 | 60.0° | 60.0° |
HG12 | CG1 | CD1 | OE1 | 130.0° | 120.0° |
HG12 | CG1 | CD1 | N2 | 49.5° | 60.0° |
OE1 | CD1 | N2 | CA2 | 0.1° | 0.0° |
OE1 | CD1 | N2 | HN2 | 179.8° | 180.0° |
CD1 | N2 | CA2 | HN2 | 180.0° | 180.0° |
CD1 | N2 | CA2 | C2 | 145.0° | 85.0° |
CD1 | N2 | CA2 | CB2 | 89.5° | 155.0° |
CD1 | N2 | CA2 | HA2 | 27.0° | 35.0° |
N2 | CA2 | C2 | CB2 | 124.3° | 120.0° |
N2 | CA2 | C2 | HA2 | 119.3° | 120.0° |
N2 | CA2 | CB2 | HA2 | 119.2° | 120.0° |
N2 | CA2 | C2 | O2 | 32.2° | 0.0° |
N2 | CA2 | C2 | N3 | 147.7° | 180.0° |
N2 | CA2 | CB2 | SG2 | 160.1° | 60.0° |
N2 | CA2 | CB2 | HB21 | 34.9° | 60.0° |
N2 | CA2 | CB2 | HB22 | 74.6° | 180.0° |
HN2 | N2 | CA2 | C2 | 35.0° | 95.0° |
HN2 | N2 | CA2 | CB2 | 90.4° | 25.0° |
HN2 | N2 | CA2 | HA2 | 153.0° | 144.9° |
C2 | CA2 | CB2 | HA2 | 117.6° | 120.0° |
CA2 | C2 | O2 | N3 | 179.9° | 180.0° |
C2 | CA2 | CB2 | SG2 | 76.7° | 180.0° |
C2 | CA2 | CB2 | HB21 | 158.1° | 60.1° |
C2 | CA2 | CB2 | HB22 | 48.6° | 60.0° |
CA2 | C2 | N3 | CA3 | 180.0° | 180.0° |
CA2 | C2 | N3 | HN3 | 0.0° | 0.1° |
CB2 | CA2 | C2 | O2 | 92.1° | 120.0° |
CB2 | CA2 | C2 | N3 | 88.0° | 59.9° |
CA2 | CB2 | SG2 | HB21 | 125.3° | 119.9° |
CA2 | CB2 | SG2 | HB22 | 125.3° | 120.0° |
CA2 | CB2 | HB21 | HB22 | 118.0° | 120.0° |
CA2 | CB2 | SG2 | C1' | 65.6° | 180.0° |
HA2 | CA2 | C2 | O2 | 151.5° | 120.1° |
HA2 | CA2 | C2 | N3 | 28.4° | 60.0° |
HA2 | CA2 | CB2 | SG2 | 41.0° | 60.0° |
HA2 | CA2 | CB2 | HB21 | 84.3° | 179.9° |
HA2 | CA2 | CB2 | HB22 | 166.2° | 60.0° |
O2 | C2 | N3 | CA3 | 0.2° | 0.0° |
O2 | C2 | N3 | HN3 | 179.9° | 180.0° |
C2 | N3 | CA3 | HN3 | 180.0° | 179.9° |
C2 | N3 | CA3 | C3 | 116.4° | 180.0° |
C2 | N3 | CA3 | HA31 | 118.3° | 60.1° |
C2 | N3 | CA3 | HA32 | 8.9° | 60.0° |
SG2 | CB2 | HB21 | HB22 | 117.9° | 120.1° |
CB2 | SG2 | C1' | C2' | 163.5° | 179.7° |
CB2 | SG2 | C1' | C6' | 16.3° | 0.0° |
HB21 | CB2 | SG2 | C1' | 59.7° | 60.1° |
HB22 | CB2 | SG2 | C1' | 169.2° | 60.0° |
SG2 | C1' | C2' | C6' | 179.8° | 179.7° |
SG2 | C1' | C2' | N2' | 0.4° | 0.3° |
SG2 | C1' | C2' | C3' | 179.4° | 179.7° |
SG2 | C1' | C6' | C5' | 179.7° | 180.0° |
SG2 | C1' | C6' | H6' | 0.3° | 0.1° |
N3 | CA3 | C3 | HA31 | 125.2° | 120.0° |
N3 | CA3 | C3 | HA32 | 125.3° | 120.0° |
N3 | CA3 | HA31 | HA32 | 117.4° | 120.0° |
N3 | CA3 | C3 | O31 | 18.9° | 180.0° |
N3 | CA3 | C3 | O32 | 160.8° | 0.0° |
HN3 | N3 | CA3 | C3 | 63.6° | 0.1° |
HN3 | N3 | CA3 | HA31 | 61.6° | 120.0° |
HN3 | N3 | CA3 | HA32 | 171.1° | 119.9° |
C3 | CA3 | HA31 | HA32 | 117.5° | 120.0° |
CA3 | C3 | O31 | O32 | 179.7° | 180.0° |
CA3 | C3 | O32 | HO3 | 179.9° | 8.3° |
HA31 | CA3 | C3 | O31 | 144.2° | 60.0° |
HA31 | CA3 | C3 | O32 | 35.5° | 120.0° |
HA32 | CA3 | C3 | O31 | 106.4° | 60.0° |
HA32 | CA3 | C3 | O32 | 74.0° | 120.0° |
O31 | C3 | O32 | HO3 | 0.2° | 171.8° |
C1' | C2' | N2' | C3' | 179.8° | 179.3° |
C1' | C2' | N2' | O21 | 10.1° | 179.4° |
C1' | C2' | N2' | O22 | 169.2° | 0.7° |
C1' | C2' | C3' | C4' | 0.4° | 0.7° |
C1' | C2' | C3' | H3' | 179.6° | 179.7° |
C2' | C1' | C6' | C5' | 0.1° | 0.3° |
C2' | C1' | C6' | H6' | 179.9° | 179.7° |
C6' | C1' | C2' | N2' | 179.8° | 180.0° |
C6' | C1' | C2' | C3' | 0.4° | 0.6° |
C1' | C6' | C5' | C4' | 0.3° | 0.0° |
C1' | C6' | C5' | H6' | 180.0° | 180.0° |
C1' | C6' | C5' | H5' | 179.7° | 180.0° |
C2' | N2' | O21 | O22 | 179.2° | 179.9° |
N2' | C2' | C3' | C4' | 179.8° | 180.0° |
N2' | C2' | C3' | H3' | 0.2° | 0.3° |
C3' | C2' | N2' | O21 | 169.6° | 0.1° |
C3' | C2' | N2' | O22 | 11.1° | 180.0° |
C2' | C3' | C4' | H3' | 179.9° | 179.7° |
C2' | C3' | C4' | N4' | 179.6° | 179.7° |
C2' | C3' | C4' | C5' | 0.0° | 0.4° |
C3' | C4' | N4' | C5' | 179.6° | 179.9° |
C3' | C4' | N4' | O41 | 0.5° | 180.0° |
C3' | C4' | N4' | O42 | 179.8° | 0.1° |
C3' | C4' | C5' | C6' | 0.3° | 0.1° |
C3' | C4' | C5' | H5' | 179.7° | 179.9° |
H3' | C3' | C4' | N4' | 0.4° | 0.0° |
H3' | C3' | C4' | C5' | 180.0° | 180.0° |
C4' | N4' | O41 | O42 | 179.8° | 180.0° |
N4' | C4' | C5' | C6' | 179.3° | 180.0° |
N4' | C4' | C5' | H5' | 0.7° | 0.0° |
C5' | C4' | N4' | O41 | 179.9° | 0.1° |
C5' | C4' | N4' | O42 | 0.1° | 180.0° |
C4' | C5' | C6' | H5' | 180.0° | 180.0° |
C4' | C5' | C6' | H6' | 179.7° | 180.0° |
H5' | C5' | C6' | H6' | 0.3° | 0.0° |