SMM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.44Å | 1.42Å | |
N | HN1 | sing | 1.01Å | 1.02Å | |
N | HN2 | sing | 1.01Å | 1.02Å | |
CA | CB | sing | 1.53Å | 1.50Å | |
CA | C | sing | 1.52Å | 1.54Å | |
CA | HA1 | sing | 1.10Å | 1.11Å | |
CB | CG | sing | 1.52Å | 1.64Å | |
CB | HB1 | sing | 1.10Å | 1.11Å | |
CB | HB2 | sing | 1.10Å | 1.12Å | |
CG | SD | sing | 1.76Å | 1.67Å | |
CG | HG1 | sing | 1.09Å | 1.12Å | |
CG | HG2 | sing | 1.09Å | 1.11Å | |
SD | CE | sing | 1.77Å | 1.50Å | |
SD | C5' | sing | 1.77Å | 1.69Å | |
SD | HD1 | sing | 1.35Å | 1.30Å | |
CE | HE1 | sing | 1.09Å | 1.12Å | |
CE | HE2 | sing | 1.09Å | 1.11Å | |
CE | HE3 | sing | 1.09Å | 1.11Å | |
C5' | C4' | sing | 1.52Å | 1.51Å | |
C5' | H5'1 | sing | 1.09Å | 1.12Å | |
C5' | H5'2 | sing | 1.09Å | 1.12Å | |
C4' | O4' | sing | 1.45Å | 1.46Å | |
C4' | C3' | sing | 1.52Å | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C1' | N9 | sing | 1.46Å | 1.46Å | |
C1' | C2' | sing | 1.52Å | 1.53Å | |
C1' | H1' | sing | 1.10Å | 1.12Å | |
N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
N9 | C8 | sing | 1.37Å | 1.38Å | Aromatic |
C4 | N3 | doub | 1.34Å | 1.34Å | Aromatic |
C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
N3 | C2 | sing | 1.35Å | 1.33Å | Aromatic |
C2 | N1 | doub | 1.35Å | 1.34Å | Aromatic |
C2 | H2 | sing | 1.09Å | 1.10Å | |
N1 | C6 | sing | 1.35Å | 1.35Å | Aromatic |
C6 | N6 | sing | 1.41Å | 1.34Å | |
C6 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
N6 | HN61 | sing | 1.00Å | 1.02Å | |
N6 | HN62 | sing | 1.00Å | 1.02Å | |
C5 | N7 | sing | 1.37Å | 1.39Å | Aromatic |
N7 | C8 | doub | 1.32Å | 1.31Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
C2' | O2' | sing | 1.41Å | 1.41Å | |
C2' | C3' | sing | 1.52Å | 1.52Å | |
C2' | H2' | sing | 1.10Å | 1.11Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C | O | doub | 1.23Å | 1.26Å | |
C | OXT | sing | 1.36Å | 1.26Å | |
OXT | CXT | sing | 1.43Å | 1.31Å | |
CXT | HXT1 | sing | 1.09Å | 1.11Å | |
CXT | HXT2 | sing | 1.09Å | 1.12Å | |
CXT | HXT3 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | HN1 | 107.7° | 119.0° |
CA | N | HN2 | 112.8° | 119.0° |
N | CA | CB | 107.8° | 111.2° |
N | CA | C | 111.6° | 111.2° |
N | CA | HA1 | 108.7° | 106.4° |
HN1 | N | HN2 | 112.9° | 120.6° |
CB | CA | C | 107.8° | 110.1° |
CB | CA | HA1 | 112.4° | 111.0° |
CA | CB | CG | 110.2° | 112.6° |
CA | CB | HB1 | 112.0° | 109.8° |
CA | CB | HB2 | 111.9° | 109.9° |
C | CA | HA1 | 108.6° | 106.9° |
CA | C | O | 118.3° | 122.6° |
CA | C | OXT | 117.7° | 112.4° |
CG | CB | HB1 | 111.9° | 108.9° |
CG | CB | HB2 | 111.9° | 109.6° |
CB | CG | SD | 110.5° | 111.3° |
CB | CG | HG1 | 111.8° | 111.8° |
CB | CG | HG2 | 111.8° | 111.2° |
HB1 | CB | HB2 | 98.5° | 105.9° |
SD | CG | HG1 | 111.8° | 106.6° |
SD | CG | HG2 | 111.8° | 106.9° |
CG | SD | CE | 109.0° | 106.4° |
CG | SD | C5' | 108.8° | 105.7° |
CG | SD | HD1 | 110.5° | 112.7° |
HG1 | CG | HG2 | 98.6° | 108.9° |
CE | SD | C5' | 110.2° | 106.3° |
CE | SD | HD1 | 109.1° | 112.5° |
SD | CE | HE1 | 109.0° | 108.4° |
SD | CE | HE2 | 112.4° | 108.4° |
SD | CE | HE3 | 112.4° | 108.3° |
C5' | SD | HD1 | 109.3° | 112.6° |
SD | C5' | C4' | 112.4° | 111.5° |
SD | C5' | H5'1 | 111.2° | 107.1° |
SD | C5' | H5'2 | 111.2° | 107.1° |
HE1 | CE | HE2 | 112.3° | 110.6° |
HE1 | CE | HE3 | 112.4° | 110.5° |
HE2 | CE | HE3 | 98.1° | 110.5° |
C4' | C5' | H5'1 | 111.1° | 111.0° |
C4' | C5' | H5'2 | 111.1° | 111.0° |
C5' | C4' | O4' | 109.7° | 108.4° |
C5' | C4' | C3' | 114.1° | 112.9° |
C5' | C4' | H4' | 104.9° | 109.3° |
H5'1 | C5' | H5'2 | 99.2° | 108.9° |
O4' | C4' | C3' | 105.3° | 106.4° |
O4' | C4' | H4' | 113.7° | 107.6° |
C4' | O4' | C1' | 109.8° | 108.8° |
C3' | C4' | H4' | 109.3° | 112.1° |
C4' | C3' | C2' | 102.0° | 102.3° |
C4' | C3' | O3' | 110.4° | 108.8° |
C4' | C3' | H3' | 113.9° | 114.5° |
O4' | C1' | N9 | 108.1° | 109.7° |
O4' | C1' | C2' | 105.3° | 106.1° |
O4' | C1' | H1' | 114.4° | 108.9° |
N9 | C1' | C2' | 113.3° | 114.0° |
N9 | C1' | H1' | 106.6° | 105.3° |
C1' | N9 | C4 | 125.8° | 126.9° |
C1' | N9 | C8 | 128.4° | 126.1° |
C2' | C1' | H1' | 109.3° | 112.6° |
C1' | C2' | O2' | 111.4° | 111.9° |
C1' | C2' | C3' | 100.6° | 101.5° |
C1' | C2' | H2' | 115.4° | 111.1° |
C4 | N9 | C8 | 105.9° | 107.0° |
N9 | C4 | N3 | 127.2° | 127.5° |
N9 | C4 | C5 | 105.9° | 105.2° |
N9 | C8 | N7 | 113.7° | 112.2° |
N9 | C8 | H8 | 125.2° | 122.2° |
N3 | C4 | C5 | 126.9° | 127.3° |
C4 | N3 | C2 | 110.6° | 110.4° |
C4 | C5 | C6 | 116.9° | 116.9° |
C4 | C5 | N7 | 110.7° | 110.7° |
N3 | C2 | N1 | 129.3° | 128.8° |
N3 | C2 | H2 | 114.9° | 115.6° |
N1 | C2 | H2 | 115.8° | 115.5° |
C2 | N1 | C6 | 118.6° | 117.5° |
N1 | C6 | N6 | 118.7° | 120.2° |
N1 | C6 | C5 | 117.6° | 119.0° |
N6 | C6 | C5 | 123.7° | 120.7° |
C6 | N6 | HN61 | 118.6° | 119.5° |
C6 | N6 | HN62 | 108.9° | 119.4° |
C6 | C5 | N7 | 132.4° | 132.4° |
HN61 | N6 | HN62 | 108.9° | 120.8° |
C5 | N7 | C8 | 103.8° | 104.9° |
N7 | C8 | H8 | 121.1° | 125.6° |
O2' | C2' | C3' | 113.2° | 113.1° |
O2' | C2' | H2' | 103.1° | 108.9° |
C2' | O2' | HO2' | 111.4° | 107.3° |
C3' | C2' | H2' | 113.6° | 110.3° |
C2' | C3' | O3' | 110.0° | 109.5° |
C2' | C3' | H3' | 114.2° | 113.8° |
O3' | C3' | H3' | 106.4° | 107.7° |
C3' | O3' | HO3' | 110.4° | 106.4° |
O | C | OXT | 124.0° | 125.0° |
C | OXT | CXT | 115.1° | 115.8° |
OXT | CXT | HXT1 | 115.1° | 109.5° |
OXT | CXT | HXT2 | 110.2° | 109.5° |
OXT | CXT | HXT3 | 110.2° | 109.0° |
HXT1 | CXT | HXT2 | 110.2° | 110.1° |
HXT1 | CXT | HXT3 | 110.2° | 109.3° |
HXT2 | CXT | HXT3 | 100.0° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | HN1 | HN2 | 125.3° | 166.3° |
N | CA | CB | C | 120.6° | 123.6° |
N | CA | CB | HA1 | 119.7° | 118.2° |
N | CA | C | HA1 | 119.8° | 115.7° |
N | CA | CB | CG | 136.2° | 65.1° |
N | CA | CB | HB1 | 11.0° | 56.4° |
N | CA | CB | HB2 | 98.5° | 172.5° |
N | CA | C | O | 135.7° | 4.3° |
N | CA | C | OXT | 42.7° | 175.8° |
HN1 | N | CA | CB | 180.0° | 62.2° |
HN1 | N | CA | C | 61.8° | 60.8° |
HN1 | N | CA | HA1 | 58.0° | 176.8° |
HN2 | N | CA | CB | 54.7° | 131.2° |
HN2 | N | CA | C | 172.9° | 105.8° |
HN2 | N | CA | HA1 | 67.3° | 10.2° |
CB | CA | C | HA1 | 122.0° | 120.7° |
CA | CB | CG | HB1 | 125.3° | 122.0° |
CA | CB | CG | HB2 | 125.3° | 122.6° |
CA | CB | HB1 | HB2 | 117.8° | 118.6° |
CA | CB | CG | SD | 167.9° | 179.0° |
CA | CB | CG | HG1 | 42.7° | 60.0° |
CA | CB | CG | HG2 | 66.9° | 62.0° |
CB | CA | C | O | 17.5° | 119.3° |
CB | CA | C | OXT | 160.9° | 60.5° |
C | CA | CB | CG | 103.1° | 58.6° |
C | CA | CB | HB1 | 131.6° | 180.0° |
C | CA | CB | HB2 | 22.1° | 63.9° |
CA | C | O | OXT | 178.3° | 179.9° |
CA | C | OXT | CXT | 126.9° | 179.9° |
HA1 | CA | CB | CG | 16.5° | 176.7° |
HA1 | CA | CB | HB1 | 108.7° | 61.8° |
HA1 | CA | CB | HB2 | 141.8° | 54.3° |
HA1 | CA | C | O | 104.5° | 120.0° |
HA1 | CA | C | OXT | 77.1° | 60.2° |
CG | CB | HB1 | HB2 | 117.8° | 117.7° |
CB | CG | SD | HG1 | 125.2° | 122.1° |
CB | CG | SD | HG2 | 125.3° | 121.6° |
CB | CG | HG1 | HG2 | 117.8° | 123.3° |
CB | CG | SD | CE | 87.8° | 177.9° |
CB | CG | SD | C5' | 152.1° | 65.1° |
CB | CG | SD | HD1 | 32.1° | 58.3° |
HB1 | CB | CG | SD | 66.8° | 59.0° |
HB1 | CB | CG | HG1 | 168.0° | 178.1° |
HB1 | CB | CG | HG2 | 58.4° | 60.0° |
HB2 | CB | CG | SD | 42.6° | 56.4° |
HB2 | CB | CG | HG1 | 82.6° | 62.7° |
HB2 | CB | CG | HG2 | 167.9° | 175.4° |
SD | CG | HG1 | HG2 | 117.7° | 115.0° |
CG | SD | CE | C5' | 119.2° | 112.3° |
CG | SD | CE | HD1 | 120.7° | 123.9° |
CG | SD | C5' | HD1 | 120.7° | 123.5° |
CG | SD | CE | HE1 | 180.0° | 96.6° |
CG | SD | CE | HE2 | 54.8° | 23.5° |
CG | SD | CE | HE3 | 54.8° | 143.4° |
CG | SD | C5' | C4' | 172.3° | 176.5° |
CG | SD | C5' | H5'1 | 62.5° | 61.8° |
CG | SD | C5' | H5'2 | 47.0° | 54.9° |
HG1 | CG | SD | CE | 146.9° | 60.0° |
HG1 | CG | SD | C5' | 26.8° | 172.8° |
HG1 | CG | SD | HD1 | 93.2° | 63.8° |
HG2 | CG | SD | CE | 37.4° | 56.3° |
HG2 | CG | SD | C5' | 82.7° | 56.5° |
HG2 | CG | SD | HD1 | 157.3° | 179.9° |
CE | SD | C5' | HD1 | 119.9° | 123.7° |
SD | CE | HE1 | HE2 | 125.2° | 118.7° |
SD | CE | HE1 | HE3 | 125.2° | 118.6° |
SD | CE | HE2 | HE3 | 118.3° | 118.6° |
CE | SD | C5' | C4' | 52.9° | 63.7° |
CE | SD | C5' | H5'1 | 178.1° | 174.6° |
CE | SD | C5' | H5'2 | 72.4° | 57.9° |
C5' | SD | CE | HE1 | 60.7° | 15.7° |
C5' | SD | CE | HE2 | 64.4° | 135.8° |
C5' | SD | CE | HE3 | 174.0° | 104.2° |
SD | C5' | C4' | H5'1 | 125.3° | 119.4° |
SD | C5' | C4' | H5'2 | 125.3° | 119.4° |
SD | C5' | H5'1 | H5'2 | 117.1° | 115.6° |
SD | C5' | C4' | O4' | 47.1° | 61.7° |
SD | C5' | C4' | C3' | 164.9° | 179.3° |
SD | C5' | C4' | H4' | 75.5° | 55.2° |
HD1 | SD | CE | HE1 | 59.3° | 139.5° |
HD1 | SD | CE | HE2 | 175.5° | 100.4° |
HD1 | SD | CE | HE3 | 66.0° | 19.5° |
HD1 | SD | C5' | C4' | 67.0° | 60.0° |
HD1 | SD | C5' | H5'1 | 58.2° | 61.7° |
HD1 | SD | C5' | H5'2 | 167.7° | 178.4° |
HE1 | CE | HE2 | HE3 | 118.3° | 122.7° |
C4' | C5' | H5'1 | H5'2 | 117.0° | 122.4° |
C5' | C4' | O4' | C3' | 123.2° | 121.7° |
C5' | C4' | O4' | H4' | 117.2° | 118.0° |
C5' | C4' | C3' | H4' | 117.1° | 123.9° |
C5' | C4' | O4' | C1' | 117.7° | 114.3° |
C5' | C4' | C3' | C2' | 91.4° | 90.2° |
C5' | C4' | C3' | O3' | 151.7° | 154.1° |
C5' | C4' | C3' | H3' | 32.1° | 33.5° |
H5'1 | C5' | C4' | O4' | 78.2° | 57.7° |
H5'1 | C5' | C4' | C3' | 39.6° | 59.9° |
H5'1 | C5' | C4' | H4' | 159.3° | 174.6° |
H5'2 | C5' | C4' | O4' | 172.4° | 178.9° |
H5'2 | C5' | C4' | C3' | 69.8° | 61.3° |
H5'2 | C5' | C4' | H4' | 49.8° | 64.2° |
O4' | C4' | C3' | H4' | 122.5° | 117.3° |
C4' | O4' | C1' | N9 | 141.7° | 140.6° |
C4' | O4' | C1' | C2' | 20.3° | 16.9° |
C4' | O4' | C1' | H1' | 99.7° | 104.6° |
O4' | C4' | C3' | C2' | 28.9° | 28.6° |
O4' | C4' | C3' | O3' | 87.9° | 87.2° |
O4' | C4' | C3' | H3' | 152.4° | 152.3° |
C3' | C4' | O4' | C1' | 5.5° | 7.4° |
C4' | C3' | C2' | C1' | 39.7° | 37.4° |
C4' | C3' | C2' | O2' | 158.6° | 157.4° |
C4' | C3' | C2' | O3' | 117.1° | 115.3° |
C4' | C3' | C2' | H3' | 123.3° | 124.1° |
C4' | C3' | C2' | H2' | 84.2° | 80.4° |
C4' | C3' | O3' | H3' | 124.0° | 124.6° |
C4' | C3' | O3' | HO3' | 180.0° | 175.9° |
H4' | C4' | O4' | C1' | 125.1° | 127.7° |
H4' | C4' | C3' | C2' | 151.4° | 145.9° |
H4' | C4' | C3' | O3' | 34.6° | 30.1° |
H4' | C4' | C3' | H3' | 85.0° | 90.4° |
O4' | C1' | N9 | C2' | 116.3° | 118.9° |
O4' | C1' | N9 | H1' | 123.5° | 117.1° |
O4' | C1' | C2' | H1' | 123.4° | 119.1° |
O4' | C1' | N9 | C4 | 51.9° | 147.1° |
O4' | C1' | N9 | C8 | 128.2° | 32.9° |
O4' | C1' | C2' | O2' | 157.9° | 155.0° |
O4' | C1' | C2' | C3' | 37.6° | 34.2° |
O4' | C1' | C2' | H2' | 85.0° | 83.0° |
N9 | C1' | C2' | H1' | 118.7° | 119.9° |
C1' | N9 | C4 | C8 | 179.9° | 179.9° |
C1' | N9 | C4 | N3 | 0.2° | 0.0° |
C1' | N9 | C4 | C5 | 179.5° | 179.9° |
C1' | N9 | C8 | N7 | 179.6° | 180.0° |
C1' | N9 | C8 | H8 | 0.4° | 0.1° |
N9 | C1' | C2' | O2' | 84.2° | 84.0° |
N9 | C1' | C2' | C3' | 155.5° | 155.2° |
N9 | C1' | C2' | H2' | 32.9° | 37.9° |
C2' | C1' | N9 | C4 | 64.4° | 94.0° |
C2' | C1' | N9 | C8 | 115.5° | 86.0° |
C1' | C2' | O2' | C3' | 112.5° | 113.8° |
C1' | C2' | O2' | H2' | 124.3° | 123.1° |
C1' | C2' | C3' | H2' | 123.9° | 117.8° |
C1' | C2' | O2' | HO2' | 180.0° | 56.6° |
C1' | C2' | C3' | O3' | 77.5° | 77.9° |
C1' | C2' | C3' | H3' | 163.0° | 161.5° |
H1' | C1' | N9 | C4 | 175.3° | 29.9° |
H1' | C1' | N9 | C8 | 4.8° | 150.0° |
H1' | C1' | C2' | O2' | 34.5° | 35.9° |
H1' | C1' | C2' | C3' | 85.8° | 84.9° |
H1' | C1' | C2' | H2' | 151.6° | 157.8° |
N9 | C4 | N3 | C5 | 179.6° | 180.0° |
N9 | C4 | N3 | C2 | 179.6° | 180.0° |
N9 | C4 | C5 | C6 | 179.4° | 180.0° |
N9 | C4 | C5 | N7 | 0.4° | 0.0° |
C4 | N9 | C8 | N7 | 0.3° | 0.0° |
C4 | N9 | C8 | H8 | 179.7° | 180.0° |
C8 | N9 | C4 | N3 | 179.9° | 180.0° |
C8 | N9 | C4 | C5 | 0.5° | 0.0° |
N9 | C8 | N7 | C5 | 0.1° | 0.0° |
N9 | C8 | N7 | H8 | 180.0° | 179.9° |
C4 | N3 | C2 | N1 | 0.2° | 0.0° |
C4 | N3 | C2 | H2 | 179.8° | 180.0° |
N3 | C4 | C5 | C6 | 0.2° | 0.0° |
N3 | C4 | C5 | N7 | 179.9° | 180.0° |
C5 | C4 | N3 | C2 | 0.1° | 0.0° |
C4 | C5 | C6 | N1 | 0.3° | 0.0° |
C4 | C5 | C6 | N6 | 179.5° | 180.0° |
C4 | C5 | C6 | N7 | 179.9° | 179.9° |
C4 | C5 | N7 | C8 | 0.2° | 0.0° |
N3 | C2 | N1 | H2 | 180.0° | 180.0° |
N3 | C2 | N1 | C6 | 0.1° | 0.0° |
C2 | N1 | C6 | N6 | 179.6° | 180.0° |
C2 | N1 | C6 | C5 | 0.2° | 0.0° |
H2 | C2 | N1 | C6 | 179.9° | 180.0° |
N1 | C6 | N6 | C5 | 179.8° | 180.0° |
N1 | C6 | N6 | HN61 | 180.0° | 77.2° |
N1 | C6 | N6 | HN62 | 54.8° | 109.1° |
N1 | C6 | C5 | N7 | 179.8° | 180.0° |
C6 | N6 | HN61 | HN62 | 125.2° | 173.6° |
N6 | C6 | C5 | N7 | 0.4° | 0.1° |
C5 | C6 | N6 | HN61 | 0.2° | 102.8° |
C5 | C6 | N6 | HN62 | 125.0° | 70.9° |
C6 | C5 | N7 | C8 | 179.6° | 180.0° |
C5 | N7 | C8 | H8 | 180.0° | 180.0° |
O2' | C2' | C3' | H2' | 117.2° | 122.2° |
O2' | C2' | C3' | O3' | 41.5° | 42.1° |
O2' | C2' | C3' | H3' | 78.1° | 78.5° |
C3' | C2' | O2' | HO2' | 67.5° | 170.4° |
C2' | C3' | O3' | H3' | 124.2° | 124.3° |
C2' | C3' | O3' | HO3' | 68.2° | 73.0° |
H2' | C2' | O2' | HO2' | 55.7° | 66.5° |
H2' | C2' | C3' | O3' | 158.7° | 164.3° |
H2' | C2' | C3' | H3' | 39.1° | 43.7° |
H3' | C3' | O3' | HO3' | 56.0° | 51.3° |
O | C | OXT | CXT | 54.8° | 0.0° |
C | OXT | CXT | HXT1 | 180.0° | 33.2° |
C | OXT | CXT | HXT2 | 54.7° | 87.6° |
C | OXT | CXT | HXT3 | 54.7° | 152.7° |
OXT | CXT | HXT1 | HXT2 | 125.3° | 120.5° |
OXT | CXT | HXT1 | HXT3 | 125.3° | 119.3° |
OXT | CXT | HXT2 | HXT3 | 116.0° | 119.4° |
HXT1 | CXT | HXT2 | HXT3 | 116.0° | 120.2° |