GS8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O31 | C3 | sing | 1.34Å | 1.25Å | |
C3 | O32 | doub | 1.21Å | 1.26Å | |
C3 | CA3 | sing | 1.51Å | 1.50Å | |
CA3 | N3 | sing | 1.46Å | 1.46Å | |
N3 | C2 | sing | 1.35Å | 1.34Å | |
C2 | O2 | doub | 1.21Å | 1.24Å | |
C2 | CA2 | sing | 1.51Å | 1.50Å | |
CA2 | CB2 | sing | 1.53Å | 1.50Å | |
CA2 | N2 | sing | 1.47Å | 1.46Å | |
CB2 | SG2 | sing | 1.81Å | 1.75Å | |
SG2 | O13 | sing | 1.52Å | 1.76Å | |
N2 | CD1 | sing | 1.35Å | 1.33Å | |
CD1 | OE1 | doub | 1.21Å | 1.23Å | |
CD1 | CG1 | sing | 1.51Å | 1.52Å | |
CG1 | CB1 | sing | 1.53Å | 1.52Å | |
CB1 | CA1 | sing | 1.53Å | 1.54Å | |
CA1 | N1 | sing | 1.47Å | 1.48Å | |
CA1 | C1 | sing | 1.51Å | 1.51Å | |
C1 | O11 | sing | 1.34Å | 1.26Å | |
C1 | O12 | doub | 1.21Å | 1.26Å | |
O31 | H31 | sing | 0.97Å | 0.95Å | |
CA3 | HA31 | sing | 1.09Å | 1.10Å | |
CA3 | HA32 | sing | 1.09Å | 1.10Å | |
N3 | H3 | sing | 0.97Å | 1.00Å | |
CA2 | HA2 | sing | 1.09Å | 1.10Å | |
CB2 | HB21 | sing | 1.09Å | 1.10Å | |
CB2 | HB22 | sing | 1.09Å | 1.10Å | |
N2 | H2 | sing | 0.97Å | 1.00Å | |
O13 | H13 | sing | 0.97Å | 0.95Å | |
CG1 | HG11 | sing | 1.09Å | 1.10Å | |
CG1 | HG12 | sing | 1.09Å | 1.10Å | |
CB1 | HB11 | sing | 1.09Å | 1.10Å | |
CB1 | HB12 | sing | 1.09Å | 1.10Å | |
CA1 | HA1 | sing | 1.09Å | 1.10Å | |
N1 | H11N | sing | 1.01Å | 1.00Å | |
N1 | H12N | sing | 1.01Å | 1.00Å | |
O11 | H11 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O31 | C3 | O32 | 125.2° | 120.0° |
O31 | C3 | CA3 | 116.6° | 120.0° |
C3 | O31 | H31 | 109.5° | 117.0° |
O32 | C3 | CA3 | 118.2° | 120.0° |
C3 | CA3 | N3 | 113.9° | 109.5° |
C3 | CA3 | HA31 | 108.4° | 109.5° |
C3 | CA3 | HA32 | 108.4° | 109.5° |
CA3 | N3 | C2 | 118.5° | 119.9° |
N3 | CA3 | HA31 | 108.3° | 109.5° |
N3 | CA3 | HA32 | 108.4° | 109.5° |
CA3 | N3 | H3 | 120.7° | 120.0° |
N3 | C2 | O2 | 124.3° | 120.0° |
N3 | C2 | CA2 | 116.7° | 119.9° |
C2 | N3 | H3 | 120.8° | 120.1° |
O2 | C2 | CA2 | 119.0° | 120.0° |
C2 | CA2 | CB2 | 110.9° | 109.5° |
C2 | CA2 | N2 | 107.1° | 109.4° |
C2 | CA2 | HA2 | 111.5° | 109.5° |
CB2 | CA2 | N2 | 103.6° | 109.5° |
CA2 | CB2 | SG2 | 111.5° | 109.5° |
CB2 | CA2 | HA2 | 111.5° | 109.5° |
CA2 | CB2 | HB21 | 109.0° | 109.5° |
CA2 | CB2 | HB22 | 108.9° | 109.4° |
CA2 | N2 | CD1 | 124.3° | 120.0° |
N2 | CA2 | HA2 | 112.1° | 109.5° |
CA2 | N2 | H2 | 117.8° | 120.0° |
CB2 | SG2 | O13 | 104.6° | 103.0° |
SG2 | CB2 | HB21 | 109.0° | 109.5° |
SG2 | CB2 | HB22 | 109.0° | 109.5° |
SG2 | O13 | H13 | 109.5° | 114.0° |
N2 | CD1 | OE1 | 122.3° | 120.0° |
N2 | CD1 | CG1 | 115.9° | 120.0° |
CD1 | N2 | H2 | 117.8° | 120.0° |
OE1 | CD1 | CG1 | 121.8° | 120.0° |
CD1 | CG1 | CB1 | 110.4° | 109.5° |
CD1 | CG1 | HG11 | 109.3° | 109.5° |
CD1 | CG1 | HG12 | 109.2° | 109.5° |
CG1 | CB1 | CA1 | 114.1° | 109.4° |
CB1 | CG1 | HG11 | 109.2° | 109.5° |
CB1 | CG1 | HG12 | 109.3° | 109.5° |
CG1 | CB1 | HB11 | 108.3° | 109.5° |
CG1 | CB1 | HB12 | 108.3° | 109.5° |
CB1 | CA1 | N1 | 112.5° | 109.5° |
CB1 | CA1 | C1 | 115.0° | 109.5° |
CA1 | CB1 | HB11 | 108.3° | 109.4° |
CA1 | CB1 | HB12 | 108.3° | 109.5° |
CB1 | CA1 | HA1 | 106.1° | 109.5° |
N1 | CA1 | C1 | 109.4° | 109.5° |
N1 | CA1 | HA1 | 106.8° | 109.4° |
CA1 | N1 | H11N | 109.5° | 111.0° |
CA1 | N1 | H12N | 109.5° | 111.0° |
CA1 | C1 | O11 | 117.4° | 120.0° |
CA1 | C1 | O12 | 119.2° | 120.0° |
C1 | CA1 | HA1 | 106.5° | 109.5° |
O11 | C1 | O12 | 123.5° | 120.1° |
C1 | O11 | H11 | 109.5° | 117.0° |
HA31 | CA3 | HA32 | 109.4° | 109.4° |
HB21 | CB2 | HB22 | 109.5° | 109.5° |
HG11 | CG1 | HG12 | 109.4° | 109.5° |
HB11 | CB1 | HB12 | 109.5° | 109.5° |
H11N | N1 | H12N | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O31 | C3 | O32 | CA3 | 179.5° | 180.0° |
O31 | C3 | CA3 | N3 | 167.1° | 180.0° |
O31 | C3 | CA3 | HA31 | 46.4° | 60.0° |
O31 | C3 | CA3 | HA32 | 72.3° | 60.0° |
O32 | C3 | CA3 | N3 | 13.4° | 0.0° |
O32 | C3 | O31 | H31 | 0.0° | 0.0° |
O32 | C3 | CA3 | HA31 | 134.1° | 120.0° |
O32 | C3 | CA3 | HA32 | 107.3° | 120.0° |
C3 | CA3 | N3 | HA31 | 120.7° | 120.0° |
C3 | CA3 | N3 | HA32 | 120.7° | 120.0° |
C3 | CA3 | N3 | C2 | 148.0° | 180.0° |
CA3 | C3 | O31 | H31 | 179.5° | 180.0° |
C3 | CA3 | HA31 | HA32 | 118.0° | 120.0° |
C3 | CA3 | N3 | H3 | 32.0° | 0.0° |
CA3 | N3 | C2 | H3 | 180.0° | 180.0° |
CA3 | N3 | C2 | O2 | 3.8° | 0.0° |
CA3 | N3 | C2 | CA2 | 176.7° | 180.0° |
N3 | CA3 | HA31 | HA32 | 118.0° | 120.0° |
N3 | C2 | O2 | CA2 | 179.5° | 180.0° |
N3 | C2 | CA2 | CB2 | 120.7° | 60.0° |
N3 | C2 | CA2 | N2 | 127.0° | 180.0° |
C2 | N3 | CA3 | HA31 | 91.3° | 60.0° |
C2 | N3 | CA3 | HA32 | 27.3° | 60.0° |
N3 | C2 | CA2 | HA2 | 4.1° | 60.0° |
O2 | C2 | CA2 | CB2 | 59.8° | 120.0° |
O2 | C2 | CA2 | N2 | 52.5° | 0.0° |
O2 | C2 | N3 | H3 | 176.3° | 180.0° |
O2 | C2 | CA2 | HA2 | 175.5° | 120.0° |
C2 | CA2 | CB2 | N2 | 114.5° | 119.9° |
C2 | CA2 | CB2 | HA2 | 124.8° | 120.1° |
C2 | CA2 | N2 | HA2 | 122.5° | 120.0° |
C2 | CA2 | CB2 | SG2 | 75.1° | 180.0° |
C2 | CA2 | N2 | CD1 | 123.8° | 155.0° |
CA2 | C2 | N3 | H3 | 3.3° | 0.0° |
C2 | CA2 | CB2 | HB21 | 164.6° | 59.9° |
C2 | CA2 | CB2 | HB22 | 45.2° | 60.0° |
C2 | CA2 | N2 | H2 | 56.2° | 25.0° |
CB2 | CA2 | N2 | HA2 | 120.3° | 120.0° |
CA2 | CB2 | SG2 | HB21 | 120.3° | 120.0° |
CA2 | CB2 | SG2 | HB22 | 120.3° | 120.0° |
CA2 | CB2 | SG2 | O13 | 61.0° | 75.0° |
CB2 | CA2 | N2 | CD1 | 119.0° | 85.0° |
CA2 | CB2 | HB21 | HB22 | 119.1° | 119.9° |
CB2 | CA2 | N2 | H2 | 61.0° | 95.0° |
N2 | CA2 | CB2 | SG2 | 170.3° | 60.0° |
CA2 | N2 | CD1 | H2 | 180.0° | 180.0° |
CA2 | N2 | CD1 | OE1 | 1.0° | 0.0° |
CA2 | N2 | CD1 | CG1 | 179.8° | 180.0° |
N2 | CA2 | CB2 | HB21 | 50.0° | 60.0° |
N2 | CA2 | CB2 | HB22 | 69.4° | 180.0° |
SG2 | CB2 | CA2 | HA2 | 49.6° | 60.0° |
SG2 | CB2 | HB21 | HB22 | 119.1° | 120.0° |
CB2 | SG2 | O13 | H13 | 180.0° | 180.0° |
O13 | SG2 | CB2 | HB21 | 59.3° | 45.0° |
O13 | SG2 | CB2 | HB22 | 178.7° | 165.0° |
N2 | CD1 | OE1 | CG1 | 179.2° | 180.0° |
N2 | CD1 | CG1 | CB1 | 172.4° | 180.0° |
CD1 | N2 | CA2 | HA2 | 1.2° | 35.0° |
N2 | CD1 | CG1 | HG11 | 52.2° | 60.0° |
N2 | CD1 | CG1 | HG12 | 67.5° | 60.0° |
OE1 | CD1 | CG1 | CB1 | 8.4° | 0.0° |
OE1 | CD1 | N2 | H2 | 179.0° | 180.0° |
OE1 | CD1 | CG1 | HG11 | 128.5° | 120.0° |
OE1 | CD1 | CG1 | HG12 | 111.8° | 120.0° |
CD1 | CG1 | CB1 | HG11 | 120.2° | 120.0° |
CD1 | CG1 | CB1 | HG12 | 120.1° | 120.0° |
CD1 | CG1 | CB1 | CA1 | 166.0° | 180.0° |
CG1 | CD1 | N2 | H2 | 0.2° | 0.0° |
CD1 | CG1 | HG11 | HG12 | 119.6° | 120.0° |
CD1 | CG1 | CB1 | HB11 | 73.4° | 60.1° |
CD1 | CG1 | CB1 | HB12 | 45.3° | 60.0° |
CG1 | CB1 | CA1 | HB11 | 120.7° | 120.0° |
CG1 | CB1 | CA1 | HB12 | 120.7° | 120.0° |
CG1 | CB1 | CA1 | N1 | 171.5° | 65.0° |
CG1 | CB1 | CA1 | C1 | 62.4° | 175.0° |
CB1 | CG1 | HG11 | HG12 | 119.6° | 120.0° |
CG1 | CB1 | HB11 | HB12 | 117.9° | 120.1° |
CG1 | CB1 | CA1 | HA1 | 55.0° | 55.0° |
CB1 | CA1 | N1 | C1 | 129.1° | 120.0° |
CB1 | CA1 | N1 | HA1 | 116.0° | 120.0° |
CB1 | CA1 | C1 | HA1 | 117.2° | 120.0° |
CB1 | CA1 | C1 | O11 | 79.4° | 80.0° |
CB1 | CA1 | C1 | O12 | 99.9° | 100.0° |
CA1 | CB1 | CG1 | HG11 | 45.8° | 60.0° |
CA1 | CB1 | CG1 | HG12 | 73.9° | 60.0° |
CA1 | CB1 | HB11 | HB12 | 117.8° | 120.0° |
CB1 | CA1 | N1 | H11N | 180.0° | 60.0° |
CB1 | CA1 | N1 | H12N | 60.0° | 64.0° |
N1 | CA1 | C1 | HA1 | 115.1° | 120.0° |
N1 | CA1 | C1 | O11 | 152.9° | 160.0° |
N1 | CA1 | C1 | O12 | 27.7° | 20.0° |
N1 | CA1 | CB1 | HB11 | 67.9° | 175.0° |
N1 | CA1 | CB1 | HB12 | 50.8° | 55.0° |
CA1 | N1 | H11N | H12N | 120.0° | 124.0° |
CA1 | C1 | O11 | O12 | 179.3° | 179.9° |
C1 | CA1 | CB1 | HB11 | 58.2° | 55.0° |
C1 | CA1 | CB1 | HB12 | 176.9° | 65.0° |
C1 | CA1 | N1 | H11N | 50.9° | 60.0° |
C1 | CA1 | N1 | H12N | 69.1° | 176.1° |
CA1 | C1 | O11 | H11 | 179.3° | 180.0° |
O11 | C1 | CA1 | HA1 | 37.8° | 40.0° |
O12 | C1 | CA1 | HA1 | 142.9° | 139.9° |
O12 | C1 | O11 | H11 | 0.0° | 0.1° |
HA31 | CA3 | N3 | H3 | 88.7° | 120.0° |
HA32 | CA3 | N3 | H3 | 152.7° | 120.0° |
HA2 | CA2 | CB2 | HB21 | 70.7° | 180.0° |
HA2 | CA2 | CB2 | HB22 | 169.9° | 60.0° |
HA2 | CA2 | N2 | H2 | 178.7° | 145.0° |
HG11 | CG1 | CB1 | HB11 | 166.5° | 59.9° |
HG11 | CG1 | CB1 | HB12 | 74.9° | 180.0° |
HG12 | CG1 | CB1 | HB11 | 46.8° | 179.9° |
HG12 | CG1 | CB1 | HB12 | 165.4° | 60.0° |
HB11 | CB1 | CA1 | HA1 | 175.7° | 65.0° |
HB12 | CB1 | CA1 | HA1 | 65.7° | 175.0° |
HA1 | CA1 | N1 | H11N | 63.9° | 180.0° |
HA1 | CA1 | N1 | H12N | 176.0° | 56.1° |