3AR
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.46Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CA | C | sing | 1.51Å | 1.52Å | |
CA | CB | sing | 1.53Å | 1.55Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
C | O | doub | 1.21Å | 1.23Å | |
C | OXT | sing | 1.34Å | 1.24Å | |
CB | CG | sing | 1.53Å | 1.56Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
CG | CD | sing | 1.53Å | 1.54Å | |
CG | HG2 | sing | 1.09Å | 1.10Å | |
CG | HG3 | sing | 1.09Å | 1.10Å | |
CD | NE | sing | 1.47Å | 1.50Å | |
CD | HD2 | sing | 1.09Å | 1.10Å | |
CD | HD3 | sing | 1.09Å | 1.10Å | |
NE | CZ | sing | 1.37Å | 1.33Å | |
NE | HE | sing | 0.97Å | 1.00Å | |
CZ | NH1 | sing | 1.38Å | 1.32Å | |
CZ | NH2 | doub | 1.30Å | 1.30Å | |
NH1 | C1 | sing | 1.46Å | 1.48Å | |
NH1 | HH1 | sing | 0.97Å | 1.00Å | |
NH2 | HH21 | sing | 0.97Å | 1.00Å | |
NH2 | HH22 | sing | 0.97Å | 1.00Å | |
C1 | C2 | sing | 1.53Å | 1.55Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.54Å | |
C2 | H21 | sing | 1.09Å | 1.10Å | |
C2 | H22 | sing | 1.09Å | 1.10Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
C3 | H33 | sing | 1.09Å | 1.10Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | H | 109.5° | 106.7° |
CA | N | H2 | 109.5° | 106.7° |
N | CA | C | 110.7° | 109.5° |
N | CA | CB | 108.8° | 109.5° |
N | CA | HA | 109.6° | 109.5° |
H | N | H2 | 109.5° | 106.7° |
C | CA | CB | 111.0° | 109.5° |
C | CA | HA | 107.4° | 109.4° |
CA | C | O | 121.9° | 120.0° |
CA | C | OXT | 116.3° | 120.0° |
CB | CA | HA | 109.3° | 109.5° |
CA | CB | CG | 115.3° | 109.5° |
CA | CB | HB2 | 106.2° | 109.5° |
CA | CB | HB3 | 107.6° | 109.5° |
O | C | OXT | 121.9° | 120.0° |
C | OXT | HXT | 109.5° | 120.0° |
CG | CB | HB2 | 106.2° | 109.4° |
CG | CB | HB3 | 107.5° | 109.4° |
CB | CG | CD | 114.0° | 109.5° |
CB | CG | HG2 | 107.0° | 109.4° |
CB | CG | HG3 | 108.0° | 109.4° |
HB2 | CB | HB3 | 114.2° | 109.5° |
CD | CG | HG2 | 107.0° | 109.5° |
CD | CG | HG3 | 108.0° | 109.5° |
CG | CD | NE | 110.3° | 109.4° |
CG | CD | HD2 | 109.0° | 109.5° |
CG | CD | HD3 | 109.2° | 109.5° |
HG2 | CG | HG3 | 113.0° | 109.4° |
NE | CD | HD2 | 109.0° | 109.5° |
NE | CD | HD3 | 109.2° | 109.5° |
CD | NE | CZ | 125.8° | 120.0° |
CD | NE | HE | 117.1° | 120.0° |
HD2 | CD | HD3 | 110.1° | 109.5° |
CZ | NE | HE | 117.1° | 120.0° |
NE | CZ | NH1 | 124.0° | 120.0° |
NE | CZ | NH2 | 116.6° | 120.0° |
NH1 | CZ | NH2 | 119.5° | 120.0° |
CZ | NH1 | C1 | 119.1° | 120.0° |
CZ | NH1 | HH1 | 120.4° | 120.0° |
CZ | NH2 | HH21 | 124.2° | 120.0° |
CZ | NH2 | HH22 | 111.5° | 120.0° |
C1 | NH1 | HH1 | 120.5° | 120.0° |
NH1 | C1 | C2 | 109.6° | 109.5° |
NH1 | C1 | H11 | 109.4° | 109.5° |
NH1 | C1 | H12 | 109.4° | 109.5° |
HH21 | NH2 | HH22 | 124.2° | 120.0° |
C2 | C1 | H11 | 109.4° | 109.5° |
C2 | C1 | H12 | 109.4° | 109.4° |
C1 | C2 | C3 | 110.1° | 109.5° |
C1 | C2 | H21 | 109.1° | 109.5° |
C1 | C2 | H22 | 109.3° | 109.5° |
H11 | C1 | H12 | 109.6° | 109.5° |
C3 | C2 | H21 | 109.2° | 109.4° |
C3 | C2 | H22 | 109.3° | 109.5° |
C2 | C3 | H31 | 109.5° | 109.5° |
C2 | C3 | H32 | 109.5° | 109.5° |
C2 | C3 | H33 | 109.5° | 109.5° |
H21 | C2 | H22 | 110.0° | 109.4° |
H31 | C3 | H32 | 109.5° | 109.4° |
H31 | C3 | H33 | 109.5° | 109.4° |
H32 | C3 | H33 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | H | H2 | 120.0° | 113.8° |
N | CA | C | CB | 121.0° | 120.0° |
N | CA | C | HA | 119.6° | 120.0° |
N | CA | CB | HA | 119.7° | 120.1° |
N | CA | C | O | 9.1° | 20.0° |
N | CA | C | OXT | 171.4° | 160.0° |
N | CA | CB | CG | 72.1° | 65.0° |
N | CA | CB | HB2 | 170.6° | 175.0° |
N | CA | CB | HB3 | 47.9° | 54.9° |
H | N | CA | C | 145.8° | 60.0° |
H | N | CA | CB | 91.9° | 60.0° |
H | N | CA | HA | 27.6° | 180.0° |
H2 | N | CA | C | 94.1° | 173.8° |
H2 | N | CA | CB | 28.1° | 53.8° |
H2 | N | CA | HA | 147.6° | 66.2° |
C | CA | CB | HA | 118.2° | 120.0° |
CA | C | O | OXT | 179.5° | 179.9° |
C | CA | CB | CG | 165.8° | 175.0° |
C | CA | CB | HB2 | 48.4° | 55.0° |
C | CA | CB | HB3 | 74.2° | 65.0° |
CA | C | OXT | HXT | 179.5° | 180.0° |
CB | CA | C | O | 111.9° | 100.0° |
CB | CA | C | OXT | 67.6° | 80.0° |
CA | CB | CG | HB2 | 117.4° | 120.0° |
CA | CB | CG | HB3 | 120.0° | 120.0° |
CA | CB | HB2 | HB3 | 118.4° | 120.1° |
CA | CB | CG | CD | 102.3° | 180.0° |
CA | CB | CG | HG2 | 15.7° | 60.0° |
CA | CB | CG | HG3 | 137.7° | 59.9° |
HA | CA | C | O | 128.7° | 140.0° |
HA | CA | C | OXT | 51.8° | 40.0° |
HA | CA | CB | CG | 47.6° | 55.0° |
HA | CA | CB | HB2 | 69.8° | 64.9° |
HA | CA | CB | HB3 | 167.6° | 175.0° |
O | C | OXT | HXT | 0.0° | 0.1° |
CG | CB | HB2 | HB3 | 118.3° | 119.9° |
CB | CG | CD | HG2 | 118.0° | 120.0° |
CB | CG | CD | HG3 | 120.0° | 120.0° |
CB | CG | HG2 | HG3 | 118.8° | 119.9° |
CB | CG | CD | NE | 34.2° | 180.0° |
CB | CG | CD | HD2 | 85.5° | 60.0° |
CB | CG | CD | HD3 | 154.2° | 60.0° |
HB2 | CB | CG | CD | 140.3° | 60.0° |
HB2 | CB | CG | HG2 | 101.7° | 180.0° |
HB2 | CB | CG | HG3 | 20.3° | 60.1° |
HB3 | CB | CG | CD | 17.7° | 60.0° |
HB3 | CB | CG | HG2 | 135.7° | 60.1° |
HB3 | CB | CG | HG3 | 102.3° | 180.0° |
CD | CG | HG2 | HG3 | 118.7° | 120.1° |
CG | CD | NE | HD2 | 119.7° | 120.0° |
CG | CD | NE | HD3 | 120.0° | 120.0° |
CG | CD | HD2 | HD3 | 119.8° | 120.0° |
CG | CD | NE | CZ | 106.1° | 180.0° |
CG | CD | NE | HE | 74.0° | 0.0° |
HG2 | CG | CD | NE | 152.2° | 60.0° |
HG2 | CG | CD | HD2 | 32.6° | 180.0° |
HG2 | CG | CD | HD3 | 87.8° | 60.0° |
HG3 | CG | CD | NE | 85.8° | 60.0° |
HG3 | CG | CD | HD2 | 154.5° | 60.0° |
HG3 | CG | CD | HD3 | 34.2° | 180.0° |
NE | CD | HD2 | HD3 | 119.8° | 120.0° |
CD | NE | CZ | HE | 180.0° | 179.9° |
CD | NE | CZ | NH1 | 0.3° | 180.0° |
CD | NE | CZ | NH2 | 179.9° | 0.0° |
HD2 | CD | NE | CZ | 134.3° | 60.0° |
HD2 | CD | NE | HE | 45.7° | 120.0° |
HD3 | CD | NE | CZ | 13.9° | 60.1° |
HD3 | CD | NE | HE | 166.1° | 120.0° |
NE | CZ | NH1 | NH2 | 179.8° | 180.0° |
NE | CZ | NH1 | C1 | 145.5° | 180.0° |
NE | CZ | NH1 | HH1 | 34.5° | 0.1° |
NE | CZ | NH2 | HH21 | 179.9° | 0.0° |
NE | CZ | NH2 | HH22 | 0.1° | 180.0° |
HE | NE | CZ | NH1 | 179.7° | 0.1° |
HE | NE | CZ | NH2 | 0.1° | 180.0° |
CZ | NH1 | C1 | HH1 | 180.0° | 179.9° |
NH1 | CZ | NH2 | HH21 | 0.1° | 180.0° |
NH1 | CZ | NH2 | HH22 | 179.9° | 0.0° |
CZ | NH1 | C1 | C2 | 162.0° | 180.0° |
CZ | NH1 | C1 | H11 | 42.1° | 60.0° |
CZ | NH1 | C1 | H12 | 78.0° | 60.0° |
NH2 | CZ | NH1 | C1 | 34.7° | 0.0° |
NH2 | CZ | NH1 | HH1 | 145.3° | 180.0° |
CZ | NH2 | HH21 | HH22 | 180.0° | 180.0° |
NH1 | C1 | C2 | H11 | 119.9° | 120.0° |
NH1 | C1 | C2 | H12 | 120.0° | 120.0° |
NH1 | C1 | H11 | H12 | 119.9° | 120.0° |
NH1 | C1 | C2 | C3 | 75.4° | 180.0° |
NH1 | C1 | C2 | H21 | 164.8° | 60.0° |
NH1 | C1 | C2 | H22 | 44.6° | 60.0° |
HH1 | NH1 | C1 | C2 | 18.0° | 0.0° |
HH1 | NH1 | C1 | H11 | 137.9° | 120.0° |
HH1 | NH1 | C1 | H12 | 102.0° | 120.0° |
C2 | C1 | H11 | H12 | 120.0° | 120.0° |
C1 | C2 | C3 | H21 | 119.7° | 120.0° |
C1 | C2 | C3 | H22 | 120.0° | 120.1° |
C1 | C2 | H21 | H22 | 119.8° | 120.0° |
C1 | C2 | C3 | H31 | 63.4° | 60.0° |
C1 | C2 | C3 | H32 | 176.6° | 60.0° |
C1 | C2 | C3 | H33 | 56.6° | 180.0° |
H11 | C1 | C2 | C3 | 44.5° | 60.0° |
H11 | C1 | C2 | H21 | 75.2° | 179.9° |
H11 | C1 | C2 | H22 | 164.5° | 60.0° |
H12 | C1 | C2 | C3 | 164.6° | 60.0° |
H12 | C1 | C2 | H21 | 44.9° | 60.0° |
H12 | C1 | C2 | H22 | 75.4° | 180.0° |
C3 | C2 | H21 | H22 | 119.9° | 119.9° |
C2 | C3 | H31 | H32 | 120.0° | 120.0° |
C2 | C3 | H31 | H33 | 120.1° | 120.0° |
C2 | C3 | H32 | H33 | 120.0° | 120.0° |
H21 | C2 | C3 | H31 | 56.4° | 60.0° |
H21 | C2 | C3 | H32 | 63.7° | 180.0° |
H21 | C2 | C3 | H33 | 176.4° | 60.0° |
H22 | C2 | C3 | H31 | 176.6° | 180.0° |
H22 | C2 | C3 | H32 | 56.6° | 60.1° |
H22 | C2 | C3 | H33 | 63.4° | 60.0° |
H31 | C3 | H32 | H33 | 120.0° | 119.9° |