AG3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N10 | C9 | sing | 1.44Å | 1.30Å | |
C9 | C8 | sing | 1.53Å | 1.54Å | |
C8 | C7 | sing | 1.53Å | 1.55Å | |
C7 | N | sing | 1.46Å | 1.48Å | |
N | CA | sing | 1.46Å | 1.47Å | |
CA | CB | sing | 1.52Å | 1.53Å | |
CB | CG | sing | 1.53Å | 1.54Å | |
CG | CD | sing | 1.53Å | 1.54Å | |
CD | NE | sing | 1.44Å | 1.46Å | |
NE | CZ | sing | 1.38Å | 1.38Å | |
CZ | NH1 | sing | 1.37Å | 1.31Å | |
CZ | NH2 | doub | 1.31Å | 1.37Å | |
N | HN | sing | 1.02Å | 1.00Å | |
CA | HA1 | sing | 1.09Å | 1.10Å | |
CA | HA2 | sing | 1.09Å | 1.10Å | |
CB | HB1 | sing | 1.10Å | 1.10Å | |
CB | HB2 | sing | 1.10Å | 1.10Å | |
CG | HG1 | sing | 1.10Å | 1.10Å | |
CG | HG2 | sing | 1.10Å | 1.10Å | |
CD | HD1 | sing | 1.10Å | 1.10Å | |
CD | HD2 | sing | 1.09Å | 1.10Å | |
NE | HNE | sing | 1.02Å | 1.00Å | |
NH1 | HH11 | sing | 1.01Å | 1.00Å | |
NH1 | HH12 | sing | 1.01Å | 1.00Å | |
NH2 | HNH2 | sing | 1.03Å | 1.00Å | |
C7 | H71 | sing | 1.10Å | 1.10Å | |
C7 | H72 | sing | 1.09Å | 1.10Å | |
C8 | H81 | sing | 1.10Å | 1.10Å | |
C8 | H82 | sing | 1.10Å | 1.10Å | |
C9 | H91 | sing | 1.09Å | 1.10Å | |
C9 | H92 | sing | 1.09Å | 1.10Å | |
N10 | H101 | sing | 1.01Å | 1.00Å | |
N10 | H102 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N10 | C9 | C8 | 110.8° | 112.6° |
N10 | C9 | H91 | 109.0° | 107.8° |
N10 | C9 | H92 | 108.8° | 106.9° |
C9 | N10 | H101 | 109.5° | 119.2° |
C9 | N10 | H102 | 109.5° | 119.2° |
C9 | C8 | C7 | 110.4° | 113.8° |
C9 | C8 | H81 | 109.2° | 108.6° |
C9 | C8 | H82 | 108.9° | 109.3° |
C8 | C9 | H91 | 109.0° | 111.5° |
C8 | C9 | H92 | 108.7° | 109.9° |
C8 | C7 | N | 111.9° | 112.6° |
C8 | C7 | H71 | 108.7° | 109.9° |
C8 | C7 | H72 | 108.1° | 111.5° |
C7 | C8 | H81 | 109.1° | 109.3° |
C7 | C8 | H82 | 109.0° | 108.6° |
C7 | N | CA | 106.3° | 111.0° |
C7 | N | HN | 110.6° | 109.1° |
N | C7 | H71 | 108.7° | 106.8° |
N | C7 | H72 | 108.1° | 107.8° |
N | CA | CB | 112.0° | 111.7° |
CA | N | HN | 110.5° | 109.3° |
N | CA | HA1 | 108.6° | 108.3° |
N | CA | HA2 | 108.0° | 107.6° |
CA | CB | CG | 111.3° | 112.2° |
CB | CA | HA1 | 108.6° | 111.2° |
CB | CA | HA2 | 108.1° | 109.9° |
CA | CB | HB1 | 108.9° | 108.8° |
CA | CB | HB2 | 108.4° | 109.2° |
CB | CG | CD | 111.4° | 112.5° |
CG | CB | HB1 | 108.8° | 109.4° |
CG | CB | HB2 | 108.4° | 109.9° |
CB | CG | HG1 | 108.8° | 109.8° |
CB | CG | HG2 | 108.4° | 109.0° |
CG | CD | NE | 108.9° | 112.4° |
CD | CG | HG1 | 108.9° | 109.6° |
CD | CG | HG2 | 108.4° | 108.5° |
CG | CD | HD1 | 109.7° | 110.0° |
CG | CD | HD2 | 109.8° | 111.3° |
CD | NE | CZ | 121.8° | 127.2° |
NE | CD | HD1 | 109.7° | 106.9° |
NE | CD | HD2 | 109.8° | 107.9° |
CD | NE | HNE | 119.1° | 116.0° |
NE | CZ | NH1 | 121.1° | 116.8° |
NE | CZ | NH2 | 118.9° | 121.5° |
CZ | NE | HNE | 119.1° | 116.7° |
NH1 | CZ | NH2 | 120.0° | 121.7° |
CZ | NH1 | HH11 | 110.5° | 122.3° |
CZ | NH1 | HH12 | 124.8° | 121.1° |
CZ | NH2 | HNH2 | 110.5° | 108.5° |
HA1 | CA | HA2 | 111.5° | 108.0° |
HB1 | CB | HB2 | 110.9° | 107.4° |
HG1 | CG | HG2 | 110.9° | 107.1° |
HD1 | CD | HD2 | 109.0° | 108.1° |
HH11 | NH1 | HH12 | 124.8° | 116.6° |
H71 | C7 | H72 | 111.4° | 108.0° |
H81 | C8 | H82 | 110.2° | 107.1° |
H91 | C9 | H92 | 110.5° | 108.0° |
H101 | N10 | H102 | 109.5° | 120.2° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N10 | C9 | C8 | H91 | 120.0° | 121.3° |
N10 | C9 | C8 | H92 | 119.5° | 119.0° |
N10 | C9 | C8 | C7 | 64.5° | 178.7° |
N10 | C9 | C8 | H81 | 175.5° | 56.7° |
N10 | C9 | C8 | H82 | 55.1° | 59.8° |
N10 | C9 | H91 | H92 | 119.5° | 115.1° |
C9 | N10 | H101 | H102 | 120.0° | 166.5° |
C9 | C8 | C7 | H81 | 120.0° | 121.6° |
C9 | C8 | C7 | H82 | 119.6° | 121.9° |
C9 | C8 | C7 | N | 148.7° | 61.0° |
C9 | C8 | C7 | H71 | 91.2° | 180.0° |
C9 | C8 | C7 | H72 | 29.8° | 60.3° |
C9 | C8 | H81 | H82 | 119.6° | 117.9° |
C8 | C9 | H91 | H92 | 119.5° | 120.8° |
C8 | C9 | N10 | H101 | 125.1° | 129.4° |
C8 | C9 | N10 | H102 | 5.1° | 37.2° |
C8 | C7 | N | H71 | 120.0° | 120.8° |
C8 | C7 | N | H72 | 119.0° | 123.4° |
C8 | C7 | N | CA | 75.1° | 179.5° |
C8 | C7 | N | HN | 44.9° | 60.0° |
C8 | C7 | H71 | H72 | 119.0° | 121.8° |
C7 | C8 | H81 | H82 | 119.6° | 117.4° |
C7 | C8 | C9 | H91 | 55.5° | 60.0° |
C7 | C8 | C9 | H92 | 176.0° | 59.7° |
C7 | N | CA | HN | 120.0° | 120.4° |
C7 | N | CA | CB | 128.7° | 179.5° |
C7 | N | CA | HA1 | 8.7° | 57.7° |
C7 | N | CA | HA2 | 112.4° | 58.8° |
N | C7 | H71 | H72 | 119.0° | 115.7° |
N | C7 | C8 | H81 | 28.8° | 60.6° |
N | C7 | C8 | H82 | 91.7° | 177.1° |
N | CA | CB | HA1 | 120.0° | 121.1° |
N | CA | CB | HA2 | 118.9° | 119.3° |
N | CA | CB | CG | 88.4° | 178.9° |
N | CA | HA1 | HA2 | 118.9° | 116.2° |
N | CA | CB | HB1 | 31.6° | 57.8° |
N | CA | CB | HB2 | 152.4° | 59.1° |
CA | N | C7 | H71 | 164.9° | 59.7° |
CA | N | C7 | H72 | 43.9° | 56.1° |
CA | CB | CG | HB1 | 120.0° | 120.8° |
CA | CB | CG | HB2 | 119.2° | 121.6° |
CA | CB | CG | CD | 60.4° | 179.2° |
CB | CA | N | HN | 111.3° | 60.0° |
CB | CA | HA1 | HA2 | 119.0° | 120.7° |
CA | CB | HB1 | HB2 | 119.2° | 118.0° |
CA | CB | CG | HG1 | 59.6° | 56.8° |
CA | CB | CG | HG2 | 179.6° | 60.3° |
CB | CG | CD | HG1 | 120.0° | 122.5° |
CB | CG | CD | HG2 | 119.2° | 120.8° |
CB | CG | CD | NE | 165.1° | 179.1° |
CG | CB | CA | HA1 | 151.6° | 60.0° |
CG | CB | CA | HA2 | 30.5° | 59.6° |
CG | CB | HB1 | HB2 | 119.2° | 119.2° |
CB | CG | HG1 | HG2 | 119.2° | 118.3° |
CB | CG | CD | HD1 | 45.1° | 60.0° |
CB | CG | CD | HD2 | 74.7° | 59.8° |
CG | CD | NE | HD1 | 120.0° | 120.8° |
CG | CD | NE | HD2 | 120.3° | 123.1° |
CG | CD | NE | CZ | 177.8° | 179.2° |
CD | CG | CB | HB1 | 179.6° | 60.0° |
CD | CG | CB | HB2 | 58.8° | 57.6° |
CD | CG | HG1 | HG2 | 119.2° | 117.6° |
CG | CD | HD1 | HD2 | 120.3° | 121.7° |
CG | CD | NE | HNE | 2.2° | 0.8° |
CD | NE | CZ | HNE | 180.0° | 180.0° |
CD | NE | CZ | NH1 | 0.4° | 0.1° |
CD | NE | CZ | NH2 | 179.6° | 179.9° |
NE | CD | CG | HG1 | 74.9° | 58.4° |
NE | CD | CG | HG2 | 45.9° | 58.3° |
NE | CD | HD1 | HD2 | 120.2° | 115.9° |
NE | CZ | NH1 | NH2 | 180.0° | 180.0° |
CZ | NE | CD | HD1 | 62.2° | 60.0° |
CZ | NE | CD | HD2 | 57.6° | 56.1° |
NE | CZ | NH1 | HH11 | 180.0° | 0.1° |
NE | CZ | NH1 | HH12 | 0.0° | 180.0° |
NE | CZ | NH2 | HNH2 | 0.0° | 0.1° |
NH1 | CZ | NE | HNE | 179.6° | 180.0° |
CZ | NH1 | HH11 | HH12 | 180.0° | 179.9° |
NH1 | CZ | NH2 | HNH2 | 180.0° | 180.0° |
NH2 | CZ | NE | HNE | 0.4° | 0.0° |
NH2 | CZ | NH1 | HH11 | 0.1° | 179.9° |
NH2 | CZ | NH1 | HH12 | 179.9° | 0.0° |
HN | N | CA | HA1 | 128.7° | 62.7° |
HN | N | CA | HA2 | 7.6° | 179.2° |
HN | N | C7 | H71 | 75.1° | 60.8° |
HN | N | C7 | H72 | 163.9° | 176.6° |
HA1 | CA | CB | HB1 | 88.4° | 178.9° |
HA1 | CA | CB | HB2 | 32.4° | 62.0° |
HA2 | CA | CB | HB1 | 150.5° | 61.5° |
HA2 | CA | CB | HB2 | 88.7° | 178.4° |
HB1 | CB | CG | HG1 | 60.4° | 177.6° |
HB1 | CB | CG | HG2 | 60.4° | 60.5° |
HB2 | CB | CG | HG1 | 178.8° | 64.8° |
HB2 | CB | CG | HG2 | 60.4° | 178.1° |
HG1 | CG | CD | HD1 | 165.1° | 177.4° |
HG1 | CG | CD | HD2 | 45.3° | 62.8° |
HG2 | CG | CD | HD1 | 74.1° | 60.8° |
HG2 | CG | CD | HD2 | 166.1° | 179.5° |
HD1 | CD | NE | HNE | 117.8° | 120.0° |
HD2 | CD | NE | HNE | 122.4° | 123.9° |
H71 | C7 | C8 | H81 | 148.8° | 58.4° |
H71 | C7 | C8 | H82 | 28.4° | 58.1° |
H72 | C7 | C8 | H81 | 90.2° | 178.2° |
H72 | C7 | C8 | H82 | 149.4° | 61.7° |
H81 | C8 | C9 | H91 | 64.5° | 178.1° |
H81 | C8 | C9 | H92 | 56.0° | 62.3° |
H82 | C8 | C9 | H91 | 175.1° | 61.5° |
H82 | C8 | C9 | H92 | 64.4° | 178.8° |
H91 | C9 | N10 | H101 | 5.1° | 6.0° |
H91 | C9 | N10 | H102 | 114.9° | 160.6° |
H92 | C9 | N10 | H101 | 115.5° | 109.8° |
H92 | C9 | N10 | H102 | 124.5° | 83.6° |