3GA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C2 | C3 | sing | 1.53Å | 1.56Å | |
C2 | C1 | sing | 1.53Å | 1.57Å | |
C2 | H21 | sing | 1.09Å | 1.10Å | |
C2 | H22 | sing | 1.09Å | 1.10Å | |
C3 | NE | sing | 1.47Å | 1.52Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
N | CA | sing | 1.47Å | 1.50Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CA | C | sing | 1.51Å | 1.53Å | |
CA | CB | sing | 1.53Å | 1.55Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
C | O | doub | 1.21Å | 1.25Å | |
C | H3 | sing | 1.08Å | 1.08Å | |
CB | CG | sing | 1.53Å | 1.55Å | |
CB | HB1 | sing | 1.09Å | 1.10Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CZ | NE | sing | 1.38Å | 1.45Å | |
CZ | NH1 | doub | 1.30Å | 1.30Å | |
CZ | NH2 | sing | 1.38Å | 1.30Å | |
NE | CD | sing | 1.47Å | 1.51Å | |
C1 | CG | sing | 1.53Å | 1.55Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
CG | CD | sing | 1.53Å | 1.54Å | |
CG | HG | sing | 1.09Å | 1.10Å | |
CD | HD1 | sing | 1.09Å | 1.10Å | |
CD | HD2 | sing | 1.09Å | 1.10Å | |
NH1 | HN11 | sing | 0.97Å | 1.00Å | |
NH2 | HN21 | sing | 0.97Å | 1.00Å | |
NH2 | HN22 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C3 | C2 | C1 | 111.1° | 109.3° |
C3 | C2 | H21 | 108.9° | 109.5° |
C3 | C2 | H22 | 108.9° | 109.5° |
C2 | C3 | NE | 111.8° | 108.7° |
C2 | C3 | H31 | 108.7° | 109.6° |
C2 | C3 | H32 | 108.7° | 109.6° |
C1 | C2 | H21 | 108.9° | 109.5° |
C1 | C2 | H22 | 108.9° | 109.5° |
C2 | C1 | CG | 113.5° | 109.5° |
C2 | C1 | H11 | 108.1° | 109.4° |
C2 | C1 | H12 | 108.1° | 109.4° |
H21 | C2 | H22 | 110.0° | 109.5° |
NE | C3 | H31 | 108.7° | 109.6° |
NE | C3 | H32 | 108.7° | 109.6° |
C3 | NE | CZ | 124.9° | 120.6° |
C3 | NE | CD | 113.5° | 118.8° |
H31 | C3 | H32 | 110.2° | 109.7° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.0° |
N | CA | C | 120.6° | 109.5° |
N | CA | CB | 112.7° | 109.5° |
N | CA | HA | 98.8° | 109.4° |
H | N | H2 | 109.5° | 111.0° |
C | CA | CB | 111.8° | 109.5° |
C | CA | HA | 100.0° | 109.5° |
CA | C | O | 123.8° | 119.9° |
CA | C | H3 | 118.1° | 120.0° |
CB | CA | HA | 110.8° | 109.5° |
CA | CB | CG | 104.3° | 109.5° |
CA | CB | HB1 | 111.2° | 109.5° |
CA | CB | HB2 | 111.2° | 109.5° |
O | C | H3 | 118.1° | 120.0° |
CG | CB | HB1 | 111.2° | 109.4° |
CG | CB | HB2 | 111.2° | 109.5° |
CB | CG | C1 | 113.3° | 109.5° |
CB | CG | CD | 113.1° | 109.5° |
CB | CG | HG | 107.2° | 109.5° |
HB1 | CB | HB2 | 107.7° | 109.5° |
NE | CZ | NH1 | 119.0° | 120.0° |
NE | CZ | NH2 | 119.5° | 120.0° |
CZ | NE | CD | 121.5° | 120.6° |
NH1 | CZ | NH2 | 121.3° | 120.0° |
CZ | NH1 | HN11 | 112.0° | 120.0° |
CZ | NH2 | HN21 | 120.0° | 120.0° |
CZ | NH2 | HN22 | 120.0° | 120.0° |
NE | CD | CG | 111.4° | 108.8° |
NE | CD | HD1 | 108.9° | 109.6° |
NE | CD | HD2 | 108.9° | 109.6° |
CG | C1 | H11 | 108.2° | 109.5° |
CG | C1 | H12 | 108.1° | 109.5° |
C1 | CG | CD | 117.0° | 109.3° |
C1 | CG | HG | 102.0° | 109.5° |
H11 | C1 | H12 | 110.8° | 109.5° |
CD | CG | HG | 102.3° | 109.5° |
CG | CD | HD1 | 108.8° | 109.6° |
CG | CD | HD2 | 108.8° | 109.6° |
HD1 | CD | HD2 | 110.0° | 109.7° |
HN21 | NH2 | HN22 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C3 | C2 | C1 | H21 | 120.0° | 120.0° |
C3 | C2 | C1 | H22 | 120.0° | 119.9° |
C3 | C2 | H21 | H22 | 119.3° | 120.1° |
C2 | C3 | NE | H31 | 120.0° | 119.8° |
C2 | C3 | NE | H32 | 120.0° | 119.8° |
C2 | C3 | H31 | H32 | 119.0° | 120.4° |
C2 | C3 | NE | CZ | 116.5° | 126.4° |
C2 | C3 | NE | CD | 66.5° | 53.6° |
C3 | C2 | C1 | CG | 12.9° | 61.4° |
C3 | C2 | C1 | H11 | 132.9° | 178.6° |
C3 | C2 | C1 | H12 | 107.1° | 58.6° |
C1 | C2 | H21 | H22 | 119.3° | 120.0° |
C1 | C2 | C3 | NE | 40.9° | 54.6° |
C1 | C2 | C3 | H31 | 161.0° | 65.1° |
C1 | C2 | C3 | H32 | 79.1° | 174.4° |
C2 | C1 | CG | CB | 176.8° | 178.7° |
C2 | C1 | CG | H11 | 120.0° | 120.0° |
C2 | C1 | CG | H12 | 120.0° | 120.0° |
C2 | C1 | H11 | H12 | 118.3° | 119.9° |
C2 | C1 | CG | CD | 48.9° | 61.3° |
C2 | C1 | CG | HG | 61.9° | 58.6° |
H21 | C2 | C3 | NE | 161.0° | 65.4° |
H21 | C2 | C3 | H31 | 79.0° | 174.9° |
H21 | C2 | C3 | H32 | 40.9° | 54.4° |
H21 | C2 | C1 | CG | 107.1° | 58.6° |
H21 | C2 | C1 | H11 | 12.9° | 61.4° |
H21 | C2 | C1 | H12 | 132.9° | 178.6° |
H22 | C2 | C3 | NE | 79.0° | 174.5° |
H22 | C2 | C3 | H31 | 41.0° | 54.8° |
H22 | C2 | C3 | H32 | 160.9° | 65.7° |
H22 | C2 | C1 | CG | 132.9° | 178.7° |
H22 | C2 | C1 | H11 | 107.1° | 58.7° |
H22 | C2 | C1 | H12 | 12.9° | 61.3° |
NE | C3 | H31 | H32 | 119.0° | 120.4° |
C3 | NE | CZ | CD | 176.8° | 180.0° |
C3 | NE | CZ | NH1 | 14.5° | 174.5° |
C3 | NE | CZ | NH2 | 170.7° | 5.4° |
C3 | NE | CD | CG | 29.9° | 53.6° |
C3 | NE | CD | HD1 | 149.9° | 66.2° |
C3 | NE | CD | HD2 | 90.1° | 173.4° |
H31 | C3 | NE | CZ | 3.5° | 113.9° |
H31 | C3 | NE | CD | 173.5° | 66.2° |
H32 | C3 | NE | CZ | 123.5° | 6.6° |
H32 | C3 | NE | CD | 53.5° | 173.4° |
CA | N | H | H2 | 120.0° | 123.9° |
N | CA | C | CB | 136.2° | 120.0° |
N | CA | C | HA | 106.5° | 120.0° |
N | CA | CB | HA | 109.6° | 119.9° |
N | CA | C | O | 35.8° | 0.0° |
N | CA | C | H3 | 144.2° | 180.0° |
N | CA | CB | CG | 59.4° | 65.0° |
N | CA | CB | HB1 | 60.6° | 55.0° |
N | CA | CB | HB2 | 179.4° | 175.0° |
H | N | CA | C | 180.0° | 63.9° |
H | N | CA | CB | 44.2° | 176.1° |
H | N | CA | HA | 72.8° | 56.1° |
H2 | N | CA | C | 60.0° | 60.0° |
H2 | N | CA | CB | 164.2° | 60.0° |
H2 | N | CA | HA | 47.2° | 180.0° |
C | CA | CB | HA | 110.6° | 120.0° |
CA | C | O | H3 | 180.0° | 180.0° |
C | CA | CB | CG | 160.8° | 175.0° |
C | CA | CB | HB1 | 79.2° | 65.0° |
C | CA | CB | HB2 | 40.9° | 54.9° |
CB | CA | C | O | 172.0° | 120.0° |
CB | CA | C | H3 | 8.0° | 60.0° |
CA | CB | CG | HB1 | 120.0° | 120.0° |
CA | CB | CG | HB2 | 120.0° | 120.0° |
CA | CB | HB1 | HB2 | 122.1° | 120.0° |
CA | CB | CG | C1 | 81.5° | 175.0° |
CA | CB | CG | CD | 142.3° | 65.1° |
CA | CB | CG | HG | 30.2° | 54.9° |
HA | CA | C | O | 70.7° | 120.0° |
HA | CA | C | H3 | 109.3° | 60.0° |
HA | CA | CB | CG | 50.2° | 55.0° |
HA | CA | CB | HB1 | 170.2° | 175.0° |
HA | CA | CB | HB2 | 69.8° | 65.1° |
CG | CB | HB1 | HB2 | 122.1° | 120.0° |
CB | CG | CD | NE | 160.7° | 174.6° |
CB | CG | C1 | CD | 134.4° | 120.0° |
CB | CG | C1 | HG | 114.9° | 120.0° |
CB | CG | C1 | H11 | 56.8° | 58.7° |
CB | CG | C1 | H12 | 63.3° | 61.4° |
CB | CG | CD | HG | 114.9° | 120.0° |
CB | CG | CD | HD1 | 40.7° | 54.8° |
CB | CG | CD | HD2 | 79.3° | 65.6° |
HB1 | CB | CG | C1 | 158.5° | 65.0° |
HB1 | CB | CG | CD | 22.3° | 54.9° |
HB1 | CB | CG | HG | 89.7° | 174.9° |
HB2 | CB | CG | C1 | 38.5° | 55.0° |
HB2 | CB | CG | CD | 97.7° | 174.8° |
HB2 | CB | CG | HG | 150.3° | 65.1° |
NE | CZ | NH1 | NH2 | 174.7° | 179.9° |
CZ | NE | CD | CG | 152.9° | 126.4° |
CZ | NE | CD | HD1 | 32.9° | 113.8° |
CZ | NE | CD | HD2 | 87.1° | 6.6° |
NE | CZ | NH1 | HN11 | 174.7° | 180.0° |
NE | CZ | NH2 | HN21 | 174.6° | 4.8° |
NE | CZ | NH2 | HN22 | 5.3° | 175.0° |
NH1 | CZ | NE | CD | 168.7° | 5.5° |
NH1 | CZ | NH2 | HN21 | 0.0° | 175.1° |
NH1 | CZ | NH2 | HN22 | 180.0° | 5.0° |
NH2 | CZ | NE | CD | 6.1° | 174.6° |
NH2 | CZ | NH1 | HN11 | 0.0° | 0.0° |
CZ | NH2 | HN21 | HN22 | 180.0° | 179.9° |
NE | CD | CG | C1 | 26.2° | 54.6° |
NE | CD | CG | HD1 | 120.0° | 119.7° |
NE | CD | CG | HD2 | 120.0° | 119.8° |
NE | CD | CG | HG | 84.4° | 65.4° |
NE | CD | HD1 | HD2 | 119.2° | 120.3° |
CG | C1 | H11 | H12 | 118.4° | 120.0° |
C1 | CG | CD | HG | 110.6° | 120.0° |
C1 | CG | CD | HD1 | 93.8° | 65.1° |
C1 | CG | CD | HD2 | 146.2° | 174.4° |
H11 | C1 | CG | CD | 168.9° | 178.7° |
H11 | C1 | CG | HG | 58.1° | 61.4° |
H12 | C1 | CG | CD | 71.1° | 58.6° |
H12 | C1 | CG | HG | 178.2° | 178.6° |
CG | CD | HD1 | HD2 | 119.2° | 120.4° |
HG | CG | CD | HD1 | 155.6° | 174.9° |
HG | CG | CD | HD2 | 35.7° | 54.4° |