CLV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | CA1 | sing | 1.47Å | 1.46Å | |
N1 | H | sing | 1.01Å | 1.00Å | |
N1 | H2 | sing | 1.01Å | 1.00Å | |
CA1 | CB1 | sing | 1.53Å | 1.51Å | |
CA1 | C1 | sing | 1.53Å | 1.53Å | |
CA1 | HA1 | sing | 1.09Å | 1.10Å | |
CB1 | HB11 | sing | 1.09Å | 1.10Å | |
CB1 | HB12 | sing | 1.09Å | 1.10Å | |
CB1 | HB13 | sing | 1.09Å | 1.10Å | |
C1 | N2 | sing | 1.47Å | 1.31Å | |
C1 | N3 | sing | 1.47Å | 1.39Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
N2 | CA2 | doub | 1.28Å | 1.37Å | |
N3 | CA3 | sing | 1.46Å | 1.45Å | |
N3 | C2 | sing | 1.35Å | 1.39Å | |
C2 | CA2 | sing | 1.48Å | 1.41Å | |
C2 | O2 | doub | 1.21Å | 1.23Å | |
CA2 | HA2 | sing | 1.08Å | 1.08Å | |
CA3 | C3 | sing | 1.51Å | 1.54Å | |
CA3 | HA31 | sing | 1.09Å | 1.10Å | |
CA3 | HA32 | sing | 1.09Å | 1.10Å | |
C3 | OXT | sing | 1.34Å | 1.30Å | |
C3 | O3 | doub | 1.21Å | 1.27Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA1 | N1 | H | 109.5° | 111.1° |
CA1 | N1 | H2 | 109.5° | 111.0° |
N1 | CA1 | CB1 | 115.0° | 109.5° |
N1 | CA1 | C1 | 107.5° | 109.5° |
N1 | CA1 | HA1 | 107.9° | 109.5° |
H | N1 | H2 | 109.5° | 111.0° |
CB1 | CA1 | C1 | 111.7° | 109.5° |
CB1 | CA1 | HA1 | 103.3° | 109.5° |
CA1 | CB1 | HB11 | 109.5° | 109.5° |
CA1 | CB1 | HB12 | 109.4° | 109.5° |
CA1 | CB1 | HB13 | 109.5° | 109.5° |
C1 | CA1 | HA1 | 111.4° | 109.5° |
CA1 | C1 | N2 | 125.3° | 110.1° |
CA1 | C1 | N3 | 123.8° | 110.1° |
CA1 | C1 | H1 | 15.8° | 110.1° |
HB11 | CB1 | HB12 | 109.5° | 109.4° |
HB11 | CB1 | HB13 | 109.4° | 109.5° |
HB12 | CB1 | HB13 | 109.5° | 109.5° |
N2 | C1 | N3 | 110.8° | 106.4° |
N2 | C1 | H1 | 118.3° | 110.0° |
C1 | N2 | CA2 | 107.9° | 108.7° |
N3 | C1 | H1 | 128.9° | 110.1° |
C1 | N3 | CA3 | 131.9° | 126.8° |
C1 | N3 | C2 | 107.2° | 106.3° |
N2 | CA2 | C2 | 109.0° | 110.2° |
N2 | CA2 | HA2 | 125.5° | 125.0° |
CA3 | N3 | C2 | 120.7° | 126.9° |
N3 | CA3 | C3 | 115.0° | 109.5° |
N3 | CA3 | HA31 | 107.7° | 109.5° |
N3 | CA3 | HA32 | 106.4° | 109.5° |
N3 | C2 | CA2 | 105.0° | 108.5° |
N3 | C2 | O2 | 123.0° | 125.8° |
CA2 | C2 | O2 | 132.0° | 125.7° |
C2 | CA2 | HA2 | 125.5° | 124.9° |
C3 | CA3 | HA31 | 107.7° | 109.5° |
C3 | CA3 | HA32 | 106.4° | 109.4° |
CA3 | C3 | OXT | 117.4° | 120.0° |
CA3 | C3 | O3 | 118.3° | 120.0° |
HA31 | CA3 | HA32 | 113.9° | 109.5° |
OXT | C3 | O3 | 124.3° | 120.0° |
C3 | OXT | HXT | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA1 | N1 | H | H2 | 120.0° | 124.0° |
N1 | CA1 | CB1 | C1 | 122.8° | 120.0° |
N1 | CA1 | CB1 | HA1 | 117.3° | 120.0° |
N1 | CA1 | C1 | HA1 | 118.0° | 120.0° |
N1 | CA1 | CB1 | HB11 | 41.6° | 60.1° |
N1 | CA1 | CB1 | HB12 | 78.4° | 180.0° |
N1 | CA1 | CB1 | HB13 | 161.6° | 60.0° |
N1 | CA1 | C1 | N2 | 107.9° | 53.6° |
N1 | CA1 | C1 | N3 | 69.7° | 63.4° |
N1 | CA1 | C1 | H1 | 176.2° | 175.0° |
H | N1 | CA1 | CB1 | 145.5° | 59.9° |
H | N1 | CA1 | C1 | 20.4° | 180.0° |
H | N1 | CA1 | HA1 | 99.8° | 60.0° |
H2 | N1 | CA1 | CB1 | 25.5° | 176.1° |
H2 | N1 | CA1 | C1 | 99.6° | 56.1° |
H2 | N1 | CA1 | HA1 | 140.1° | 63.9° |
CB1 | CA1 | C1 | HA1 | 115.0° | 120.0° |
CA1 | CB1 | HB11 | HB12 | 120.0° | 120.0° |
CA1 | CB1 | HB11 | HB13 | 120.0° | 120.1° |
CA1 | CB1 | HB12 | HB13 | 120.0° | 120.0° |
CB1 | CA1 | C1 | N2 | 19.1° | 66.5° |
CB1 | CA1 | C1 | N3 | 163.3° | 176.6° |
CB1 | CA1 | C1 | H1 | 49.2° | 55.0° |
C1 | CA1 | CB1 | HB11 | 164.4° | 60.0° |
C1 | CA1 | CB1 | HB12 | 44.4° | 60.0° |
C1 | CA1 | CB1 | HB13 | 75.6° | 180.0° |
CA1 | C1 | N2 | N3 | 177.8° | 119.3° |
CA1 | C1 | N2 | H1 | 16.7° | 121.5° |
CA1 | C1 | N3 | H1 | 18.6° | 121.6° |
CA1 | C1 | N2 | CA2 | 178.5° | 119.2° |
CA1 | C1 | N3 | CA3 | 3.6° | 60.8° |
CA1 | C1 | N3 | C2 | 178.4° | 119.2° |
HA1 | CA1 | CB1 | HB11 | 75.6° | 180.0° |
HA1 | CA1 | CB1 | HB12 | 164.3° | 60.0° |
HA1 | CA1 | CB1 | HB13 | 44.3° | 60.0° |
HA1 | CA1 | C1 | N2 | 134.1° | 173.6° |
HA1 | CA1 | C1 | N3 | 48.3° | 56.6° |
HA1 | CA1 | C1 | H1 | 65.8° | 65.0° |
HB11 | CB1 | HB12 | HB13 | 120.0° | 120.0° |
N2 | C1 | N3 | H1 | 163.6° | 119.2° |
N2 | C1 | N3 | CA3 | 174.3° | 180.0° |
N2 | C1 | N3 | C2 | 0.6° | 0.0° |
C1 | N2 | CA2 | C2 | 0.5° | 0.0° |
C1 | N2 | CA2 | HA2 | 179.5° | 179.9° |
N3 | C1 | N2 | CA2 | 0.7° | 0.1° |
C1 | N3 | CA3 | C2 | 174.3° | 180.0° |
C1 | N3 | C2 | CA2 | 0.2° | 0.0° |
C1 | N3 | C2 | O2 | 179.3° | 180.0° |
C1 | N3 | CA3 | C3 | 91.5° | 90.0° |
C1 | N3 | CA3 | HA31 | 148.4° | 149.9° |
C1 | N3 | CA3 | HA32 | 26.0° | 29.9° |
H1 | C1 | N2 | CA2 | 164.8° | 119.3° |
H1 | C1 | N3 | CA3 | 22.1° | 60.8° |
H1 | C1 | N3 | C2 | 163.0° | 119.2° |
N2 | CA2 | C2 | N3 | 0.2° | 0.0° |
N2 | CA2 | C2 | HA2 | 180.0° | 180.0° |
N2 | CA2 | C2 | O2 | 179.7° | 180.0° |
CA3 | N3 | C2 | CA2 | 175.3° | 180.0° |
CA3 | N3 | C2 | O2 | 5.1° | 0.0° |
N3 | CA3 | C3 | HA31 | 120.0° | 120.0° |
N3 | CA3 | C3 | HA32 | 117.5° | 120.0° |
N3 | CA3 | HA31 | HA32 | 117.7° | 120.0° |
N3 | CA3 | C3 | OXT | 25.0° | 180.0° |
N3 | CA3 | C3 | O3 | 153.9° | 0.0° |
N3 | C2 | CA2 | O2 | 179.5° | 180.0° |
N3 | C2 | CA2 | HA2 | 179.8° | 180.0° |
C2 | N3 | CA3 | C3 | 94.2° | 90.0° |
C2 | N3 | CA3 | HA31 | 25.9° | 30.0° |
C2 | N3 | CA3 | HA32 | 148.3° | 150.0° |
O2 | C2 | CA2 | HA2 | 0.4° | 0.1° |
C3 | CA3 | HA31 | HA32 | 117.7° | 120.0° |
CA3 | C3 | OXT | O3 | 178.9° | 180.0° |
CA3 | C3 | OXT | HXT | 178.9° | 179.9° |
HA31 | CA3 | C3 | OXT | 145.0° | 60.0° |
HA31 | CA3 | C3 | O3 | 33.9° | 120.0° |
HA32 | CA3 | C3 | OXT | 92.5° | 60.0° |
HA32 | CA3 | C3 | O3 | 88.5° | 120.0° |
O3 | C3 | OXT | HXT | 0.0° | 0.1° |