VMS
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CG2 | CB | sing | 1.53Å | 1.53Å | |
CG2 | HG21 | sing | 1.09Å | 1.12Å | |
CG2 | HG22 | sing | 1.09Å | 1.12Å | |
CG2 | HG23 | sing | 1.09Å | 1.12Å | |
CB | CG1 | sing | 1.53Å | 1.53Å | |
CB | CA | sing | 1.53Å | 1.54Å | |
CB | HB | sing | 1.09Å | 1.11Å | |
CG1 | HG11 | sing | 1.09Å | 1.11Å | |
CG1 | HG12 | sing | 1.09Å | 1.12Å | |
CG1 | HG13 | sing | 1.09Å | 1.12Å | |
CA | N | sing | 1.47Å | 1.47Å | |
CA | C | sing | 1.51Å | 1.53Å | |
CA | HA | sing | 1.09Å | 1.11Å | |
N | H | sing | 1.01Å | 1.02Å | |
N | H2 | sing | 1.01Å | 1.02Å | |
C | O | doub | 1.21Å | 1.23Å | |
C | NAS | sing | 1.35Å | 1.33Å | |
NAS | SBD | sing | 1.66Å | 1.63Å | |
NAS | HAS | sing | 0.97Å | 1.02Å | |
SBD | OAZ | doub | 1.42Å | 1.50Å | |
SBD | OBC | doub | 1.42Å | 1.50Å | |
SBD | O5' | sing | 1.52Å | 1.51Å | |
O5' | C5' | sing | 1.43Å | 1.43Å | |
C5' | C4' | sing | 1.53Å | 1.53Å | |
C5' | H5'1 | sing | 1.09Å | 1.11Å | |
C5' | H5'2 | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.44Å | 1.44Å | |
C4' | C3' | sing | 1.54Å | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.44Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C2' | sing | 1.55Å | 1.53Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | O2' | sing | 1.43Å | 1.43Å | |
C2' | C1' | sing | 1.55Å | 1.53Å | |
C2' | H1 | sing | 1.09Å | 1.11Å | |
O2' | H2' | sing | 0.97Å | 0.95Å | |
C1' | N9 | sing | 1.47Å | 1.48Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
N9 | C8 | sing | 1.36Å | 1.33Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.33Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.35Å | 1.33Å | Aromatic |
C5 | C4 | doub | 1.41Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
C4 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
N3 | C2 | doub | 1.32Å | 1.32Å | Aromatic |
C2 | N1 | sing | 1.32Å | 1.32Å | Aromatic |
C2 | H3 | sing | 1.08Å | 1.10Å | |
N1 | C6 | doub | 1.33Å | 1.34Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.33Å | |
N6 | HN61 | sing | 0.97Å | 1.02Å | |
N6 | HN62 | sing | 0.97Å | 1.02Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CB | CG2 | HG21 | 110.2° | 109.5° |
CB | CG2 | HG22 | 111.9° | 109.5° |
CB | CG2 | HG23 | 111.9° | 109.4° |
CG2 | CB | CG1 | 110.2° | 109.5° |
CG2 | CB | CA | 112.4° | 109.4° |
CG2 | CB | HB | 107.1° | 109.5° |
HG21 | CG2 | HG22 | 112.0° | 109.5° |
HG21 | CG2 | HG23 | 111.9° | 109.5° |
HG22 | CG2 | HG23 | 98.4° | 109.5° |
CG1 | CB | CA | 110.1° | 109.5° |
CG1 | CB | HB | 109.6° | 109.5° |
CB | CG1 | HG11 | 110.2° | 109.5° |
CB | CG1 | HG12 | 111.9° | 109.5° |
CB | CG1 | HG13 | 111.9° | 109.5° |
CA | CB | HB | 107.2° | 109.4° |
CB | CA | N | 111.0° | 109.5° |
CB | CA | C | 111.3° | 109.5° |
CB | CA | HA | 107.2° | 109.5° |
HG11 | CG1 | HG12 | 111.9° | 109.5° |
HG11 | CG1 | HG13 | 112.0° | 109.4° |
HG12 | CG1 | HG13 | 98.4° | 109.5° |
N | CA | C | 109.5° | 109.5° |
N | CA | HA | 109.0° | 109.4° |
CA | N | H | 111.1° | 106.7° |
CA | N | H2 | 111.7° | 106.7° |
C | CA | HA | 108.8° | 109.5° |
CA | C | O | 121.5° | 120.0° |
CA | C | NAS | 113.5° | 120.0° |
H | N | H2 | 111.6° | 106.7° |
O | C | NAS | 124.6° | 120.0° |
C | NAS | SBD | 124.2° | 120.0° |
C | NAS | HAS | 107.0° | 120.0° |
SBD | NAS | HAS | 128.8° | 120.0° |
NAS | SBD | OAZ | 114.9° | 105.7° |
NAS | SBD | OBC | 111.7° | 105.8° |
NAS | SBD | O5' | 105.0° | 107.4° |
OAZ | SBD | OBC | 119.8° | 125.4° |
OAZ | SBD | O5' | 98.1° | 105.8° |
OBC | SBD | O5' | 104.5° | 105.8° |
SBD | O5' | C5' | 121.7° | 106.8° |
O5' | C5' | C4' | 110.9° | 109.5° |
O5' | C5' | H5'1 | 111.6° | 109.5° |
O5' | C5' | H5'2 | 111.7° | 109.5° |
C4' | C5' | H5'1 | 111.7° | 109.4° |
C4' | C5' | H5'2 | 111.7° | 109.5° |
C5' | C4' | O4' | 108.3° | 109.9° |
C5' | C4' | C3' | 111.9° | 109.9° |
C5' | C4' | H4' | 107.5° | 109.8° |
H5'1 | C5' | H5'2 | 98.7° | 109.4° |
O4' | C4' | C3' | 105.8° | 107.4° |
O4' | C4' | H4' | 113.4° | 109.9° |
C4' | O4' | C1' | 108.1° | 107.0° |
C3' | C4' | H4' | 110.0° | 109.9° |
C4' | C3' | O3' | 110.2° | 110.8° |
C4' | C3' | C2' | 99.2° | 104.0° |
C4' | C3' | H3' | 115.5° | 110.4° |
O4' | C1' | C2' | 104.2° | 103.5° |
O4' | C1' | N9 | 110.9° | 110.6° |
O4' | C1' | H1' | 112.2° | 110.6° |
O3' | C3' | C2' | 109.6° | 110.5° |
O3' | C3' | H3' | 106.1° | 110.5° |
C3' | O3' | HO3' | 110.2° | 106.8° |
C2' | C3' | H3' | 116.1° | 110.5° |
C3' | C2' | O2' | 110.3° | 110.9° |
C3' | C2' | C1' | 98.7° | 102.1° |
C3' | C2' | H1 | 115.9° | 111.0° |
O2' | C2' | C1' | 110.1° | 110.9° |
O2' | C2' | H1 | 105.7° | 110.8° |
C2' | O2' | H2' | 110.3° | 106.8° |
C1' | C2' | H1 | 116.1° | 110.9° |
C2' | C1' | N9 | 110.2° | 110.8° |
C2' | C1' | H1' | 113.0° | 110.6° |
N9 | C1' | H1' | 106.4° | 110.5° |
C1' | N9 | C8 | 125.0° | 126.3° |
C1' | N9 | C4 | 127.4° | 126.3° |
C8 | N9 | C4 | 107.7° | 107.5° |
N9 | C8 | N7 | 110.2° | 110.0° |
N9 | C8 | H8 | 124.9° | 125.0° |
N9 | C4 | C5 | 107.0° | 106.0° |
N9 | C4 | N3 | 133.6° | 135.0° |
N7 | C8 | H8 | 124.9° | 125.0° |
C8 | N7 | C5 | 107.4° | 109.4° |
N7 | C5 | C4 | 107.7° | 107.2° |
N7 | C5 | C6 | 133.7° | 134.7° |
C4 | C5 | C6 | 118.5° | 118.2° |
C5 | C4 | N3 | 119.4° | 119.0° |
C5 | C6 | N1 | 118.6° | 118.4° |
C5 | C6 | N6 | 120.5° | 120.8° |
C4 | N3 | C2 | 120.7° | 120.7° |
N3 | C2 | N1 | 121.3° | 122.5° |
N3 | C2 | H3 | 119.3° | 118.7° |
N1 | C2 | H3 | 119.4° | 118.8° |
C2 | N1 | C6 | 121.4° | 121.2° |
N1 | C6 | N6 | 120.9° | 120.8° |
C6 | N6 | HN61 | 120.5° | 120.0° |
C6 | N6 | HN62 | 108.3° | 120.0° |
HN61 | N6 | HN62 | 108.2° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CB | CG2 | HG21 | HG22 | 125.3° | 120.0° |
CB | CG2 | HG21 | HG23 | 125.3° | 119.9° |
CB | CG2 | HG22 | HG23 | 117.8° | 120.0° |
CG2 | CB | CG1 | CA | 124.6° | 120.0° |
CG2 | CB | CG1 | HB | 117.7° | 120.1° |
CG2 | CB | CA | HB | 117.5° | 120.0° |
CG2 | CB | CG1 | HG11 | 179.9° | 59.9° |
CG2 | CB | CG1 | HG12 | 54.7° | 180.0° |
CG2 | CB | CG1 | HG13 | 54.7° | 60.0° |
CG2 | CB | CA | N | 57.4° | 180.0° |
CG2 | CB | CA | C | 64.8° | 60.0° |
CG2 | CB | CA | HA | 176.3° | 60.1° |
HG21 | CG2 | HG22 | HG23 | 117.8° | 120.0° |
HG21 | CG2 | CB | CG1 | 180.0° | 180.0° |
HG21 | CG2 | CB | CA | 56.7° | 60.0° |
HG21 | CG2 | CB | HB | 60.9° | 59.9° |
HG22 | CG2 | CB | CG1 | 54.7° | 60.0° |
HG22 | CG2 | CB | CA | 178.0° | 60.0° |
HG22 | CG2 | CB | HB | 64.5° | 180.0° |
HG23 | CG2 | CB | CG1 | 54.7° | 60.0° |
HG23 | CG2 | CB | CA | 68.6° | 179.9° |
HG23 | CG2 | CB | HB | 173.9° | 60.0° |
CG1 | CB | CA | HB | 119.2° | 120.0° |
CB | CG1 | HG11 | HG12 | 125.3° | 120.1° |
CB | CG1 | HG11 | HG13 | 125.3° | 120.0° |
CB | CG1 | HG12 | HG13 | 117.8° | 120.0° |
CG1 | CB | CA | N | 65.9° | 60.0° |
CG1 | CB | CA | C | 171.8° | 180.0° |
CG1 | CB | CA | HA | 53.0° | 60.0° |
CA | CB | CG1 | HG11 | 55.3° | 60.0° |
CA | CB | CG1 | HG12 | 69.9° | 60.0° |
CA | CB | CG1 | HG13 | 179.3° | 180.0° |
CB | CA | N | C | 123.3° | 120.0° |
CB | CA | N | HA | 117.8° | 120.0° |
CB | CA | C | HA | 117.9° | 120.0° |
CB | CA | N | H | 180.0° | 60.0° |
CB | CA | N | H2 | 54.7° | 53.8° |
CB | CA | C | O | 158.9° | 100.0° |
CB | CA | C | NAS | 13.6° | 80.0° |
HB | CB | CG1 | HG11 | 62.4° | 180.0° |
HB | CB | CG1 | HG12 | 172.4° | 60.0° |
HB | CB | CG1 | HG13 | 63.0° | 60.1° |
HB | CB | CA | N | 174.9° | 60.0° |
HB | CB | CA | C | 52.7° | 60.0° |
HB | CB | CA | HA | 66.1° | 180.0° |
HG11 | CG1 | HG12 | HG13 | 117.9° | 119.9° |
N | CA | C | HA | 119.0° | 120.0° |
CA | N | H | H2 | 125.4° | 113.8° |
N | CA | C | O | 35.8° | 20.0° |
N | CA | C | NAS | 136.7° | 160.0° |
C | CA | N | H | 56.7° | 60.0° |
C | CA | N | H2 | 178.0° | 173.8° |
CA | C | O | NAS | 171.6° | 180.0° |
CA | C | NAS | SBD | 179.5° | 180.0° |
CA | C | NAS | HAS | 0.5° | 0.0° |
HA | CA | N | H | 62.2° | 180.0° |
HA | CA | N | H2 | 63.1° | 66.2° |
HA | CA | C | O | 83.2° | 140.0° |
HA | CA | C | NAS | 104.3° | 40.1° |
O | C | NAS | SBD | 8.3° | 0.0° |
O | C | NAS | HAS | 171.7° | 180.0° |
C | NAS | SBD | HAS | 180.0° | 180.0° |
C | NAS | SBD | OAZ | 91.3° | 177.6° |
C | NAS | SBD | OBC | 128.0° | 47.6° |
C | NAS | SBD | O5' | 15.3° | 65.0° |
NAS | SBD | OAZ | OBC | 137.3° | 123.2° |
NAS | SBD | OAZ | O5' | 110.8° | 113.7° |
NAS | SBD | OBC | O5' | 113.0° | 113.7° |
NAS | SBD | O5' | C5' | 101.8° | 75.0° |
HAS | NAS | SBD | OAZ | 88.7° | 2.4° |
HAS | NAS | SBD | OBC | 52.0° | 132.4° |
HAS | NAS | SBD | O5' | 164.7° | 115.0° |
OAZ | SBD | OBC | O5' | 108.4° | 123.1° |
OAZ | SBD | O5' | C5' | 139.6° | 37.5° |
OBC | SBD | O5' | C5' | 15.9° | 172.4° |
SBD | O5' | C5' | C4' | 148.8° | 180.0° |
SBD | O5' | C5' | H5'1 | 85.9° | 60.0° |
SBD | O5' | C5' | H5'2 | 23.5° | 60.0° |
O5' | C5' | C4' | H5'1 | 125.2° | 120.0° |
O5' | C5' | C4' | H5'2 | 125.3° | 120.1° |
O5' | C5' | H5'1 | H5'2 | 117.6° | 120.0° |
O5' | C5' | C4' | O4' | 64.6° | 66.7° |
O5' | C5' | C4' | C3' | 179.1° | 175.3° |
O5' | C5' | C4' | H4' | 58.3° | 54.4° |
C4' | C5' | H5'1 | H5'2 | 117.6° | 120.0° |
C5' | C4' | O4' | C3' | 120.2° | 119.5° |
C5' | C4' | O4' | H4' | 119.2° | 121.0° |
C5' | C4' | C3' | H4' | 119.4° | 120.9° |
C5' | C4' | O4' | C1' | 111.0° | 146.0° |
C5' | C4' | C3' | O3' | 162.9° | 119.8° |
C5' | C4' | C3' | C2' | 82.1° | 121.5° |
C5' | C4' | C3' | H3' | 42.7° | 2.9° |
H5'1 | C5' | C4' | O4' | 60.6° | 53.3° |
H5'1 | C5' | C4' | C3' | 55.7° | 64.7° |
H5'1 | C5' | C4' | H4' | 176.5° | 174.3° |
H5'2 | C5' | C4' | O4' | 170.2° | 173.2° |
H5'2 | C5' | C4' | C3' | 53.9° | 55.2° |
H5'2 | C5' | C4' | H4' | 67.0° | 65.7° |
O4' | C4' | C3' | H4' | 122.8° | 119.5° |
O4' | C4' | C3' | O3' | 79.3° | 120.6° |
O4' | C4' | C3' | C2' | 35.7° | 1.9° |
O4' | C4' | C3' | H3' | 160.5° | 116.7° |
C4' | O4' | C1' | C2' | 21.4° | 40.1° |
C4' | O4' | C1' | N9 | 140.0° | 158.7° |
C4' | O4' | C1' | H1' | 101.1° | 78.5° |
C3' | C4' | O4' | C1' | 9.2° | 26.4° |
C4' | C3' | O3' | C2' | 108.2° | 114.7° |
C4' | C3' | O3' | H3' | 125.8° | 122.7° |
C4' | C3' | C2' | H3' | 124.4° | 118.5° |
C4' | C3' | O3' | HO3' | 180.0° | 176.2° |
C4' | C3' | C2' | O2' | 161.8° | 139.2° |
C4' | C3' | C2' | C1' | 46.6° | 21.0° |
C4' | C3' | C2' | H1 | 78.1° | 97.2° |
H4' | C4' | O4' | C1' | 129.8° | 93.0° |
H4' | C4' | C3' | O3' | 43.5° | 1.1° |
H4' | C4' | C3' | C2' | 158.5° | 117.6° |
H4' | C4' | C3' | H3' | 76.7° | 123.8° |
O4' | C1' | C2' | C3' | 43.1° | 37.1° |
O4' | C1' | C2' | O2' | 158.5° | 155.3° |
O4' | C1' | C2' | N9 | 119.0° | 118.6° |
O4' | C1' | C2' | H1' | 122.1° | 118.5° |
O4' | C1' | C2' | H1 | 81.5° | 81.2° |
O4' | C1' | N9 | H1' | 122.3° | 122.9° |
O4' | C1' | N9 | C8 | 87.1° | 23.5° |
O4' | C1' | N9 | C4 | 92.9° | 156.8° |
O3' | C3' | C2' | H3' | 120.2° | 122.6° |
O3' | C3' | C2' | O2' | 46.4° | 20.3° |
O3' | C3' | C2' | C1' | 68.9° | 97.9° |
O3' | C3' | C2' | H1 | 166.5° | 143.8° |
C2' | C3' | O3' | HO3' | 71.8° | 61.5° |
C3' | C2' | O2' | C1' | 107.9° | 112.7° |
C3' | C2' | O2' | H1 | 126.0° | 123.7° |
C3' | C2' | C1' | H1 | 124.6° | 118.3° |
C3' | C2' | O2' | H2' | 180.0° | 67.3° |
C3' | C2' | C1' | N9 | 162.1° | 155.7° |
C3' | C2' | C1' | H1' | 79.0° | 81.4° |
H3' | C3' | O3' | HO3' | 54.2° | 61.1° |
H3' | C3' | C2' | O2' | 73.8° | 102.3° |
H3' | C3' | C2' | C1' | 171.0° | 139.5° |
H3' | C3' | C2' | H1 | 46.3° | 21.3° |
O2' | C2' | C1' | H1 | 120.0° | 123.5° |
O2' | C2' | C1' | N9 | 82.4° | 86.1° |
O2' | C2' | C1' | H1' | 36.5° | 36.8° |
C1' | C2' | O2' | H2' | 72.1° | 180.0° |
C2' | C1' | N9 | H1' | 122.8° | 123.0° |
C2' | C1' | N9 | C8 | 27.7° | 90.6° |
C2' | C1' | N9 | C4 | 152.2° | 89.1° |
H1 | C2' | O2' | H2' | 54.0° | 56.4° |
H1 | C2' | C1' | N9 | 37.5° | 37.4° |
H1 | C2' | C1' | H1' | 156.4° | 160.3° |
C1' | N9 | C8 | C4 | 180.0° | 179.8° |
C1' | N9 | C8 | N7 | 179.4° | 180.0° |
C1' | N9 | C8 | H8 | 0.6° | 0.0° |
C1' | N9 | C4 | C5 | 179.3° | 179.9° |
C1' | N9 | C4 | N3 | 3.6° | 0.8° |
H1' | C1' | N9 | C8 | 150.6° | 146.4° |
H1' | C1' | N9 | C4 | 29.4° | 33.9° |
N9 | C8 | N7 | H8 | 180.0° | 179.9° |
N9 | C8 | N7 | C5 | 0.3° | 0.0° |
C8 | N9 | C4 | C5 | 0.7° | 0.3° |
C8 | N9 | C4 | N3 | 176.4° | 179.5° |
C4 | N9 | C8 | N7 | 0.6° | 0.2° |
C4 | N9 | C8 | H8 | 179.4° | 179.7° |
N9 | C4 | C5 | N7 | 0.5° | 0.3° |
N9 | C4 | C5 | N3 | 177.6° | 179.3° |
N9 | C4 | C5 | C6 | 178.1° | 179.8° |
N9 | C4 | N3 | C2 | 176.7° | 179.6° |
C8 | N7 | C5 | C4 | 0.2° | 0.2° |
C8 | N7 | C5 | C6 | 177.2° | 180.0° |
H8 | C8 | N7 | C5 | 179.7° | 179.9° |
N7 | C5 | C4 | C6 | 177.6° | 179.9° |
N7 | C5 | C4 | N3 | 177.1° | 179.6° |
N7 | C5 | C6 | N1 | 176.1° | 179.9° |
N7 | C5 | C6 | N6 | 5.8° | 0.1° |
C5 | C4 | N3 | C2 | 0.1° | 0.5° |
C4 | C5 | C6 | N1 | 0.8° | 0.2° |
C4 | C5 | C6 | N6 | 177.4° | 179.7° |
C6 | C5 | C4 | N3 | 0.5° | 0.5° |
C5 | C6 | N1 | C2 | 0.5° | 0.0° |
C5 | C6 | N1 | N6 | 178.2° | 180.0° |
C5 | C6 | N6 | HN61 | 180.0° | 0.0° |
C5 | C6 | N6 | HN62 | 54.8° | 180.0° |
C4 | N3 | C2 | N1 | 0.4° | 0.3° |
C4 | N3 | C2 | H3 | 179.6° | 179.7° |
N3 | C2 | N1 | H3 | 180.0° | 179.9° |
N3 | C2 | N1 | C6 | 0.1° | 0.1° |
C2 | N1 | C6 | N6 | 177.7° | 179.9° |
H3 | C2 | N1 | C6 | 179.8° | 180.0° |
N1 | C6 | N6 | HN61 | 1.9° | 180.0° |
N1 | C6 | N6 | HN62 | 123.4° | 0.0° |
C6 | N6 | HN61 | HN62 | 125.3° | 180.0° |