DP2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | O2 | sing | 1.46Å | 1.27Å | |
N1 | O3 | sing | 1.46Å | 1.29Å | |
N1 | NH1 | sing | 1.37Å | 1.35Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
N | CA | sing | 1.46Å | 1.49Å | |
N | C' | sing | 1.35Å | 1.38Å | |
N | HN | sing | 0.97Å | 1.02Å | |
CA | C | sing | 1.51Å | 1.54Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
CA | HA | sing | 1.09Å | 1.12Å | |
C | N2 | sing | 1.35Å | 1.34Å | |
C | O | doub | 1.21Å | 1.21Å | |
N2 | HN21 | sing | 0.97Å | 1.02Å | |
N2 | HN22 | sing | 0.97Å | 1.02Å | |
CB | CG | sing | 1.53Å | 1.53Å | |
CB | HB1 | sing | 1.09Å | 1.12Å | |
CB | HB2 | sing | 1.09Å | 1.11Å | |
CG | CD | sing | 1.53Å | 1.54Å | |
CG | HG1 | sing | 1.09Å | 1.12Å | |
CG | HG2 | sing | 1.09Å | 1.12Å | |
CD | NE | sing | 1.46Å | 1.47Å | |
CD | HD1 | sing | 1.09Å | 1.11Å | |
CD | HD2 | sing | 1.09Å | 1.11Å | |
NE | CZ | sing | 1.37Å | 1.31Å | |
NE | HNE | sing | 0.97Å | 1.02Å | |
CZ | NH1 | sing | 1.37Å | 1.34Å | |
CZ | NH2 | doub | 1.30Å | 1.35Å | |
NH1 | HH1 | sing | 0.97Å | 1.02Å | |
NH2 | HH2 | sing | 0.97Å | 1.02Å | |
N' | CA' | sing | 1.47Å | 1.51Å | |
N' | HN'1 | sing | 1.01Å | 1.02Å | |
N' | HN'2 | sing | 1.01Å | 1.02Å | |
CA' | C' | sing | 1.51Å | 1.55Å | |
CA' | CB' | sing | 1.53Å | 1.55Å | |
CA' | HA' | sing | 1.09Å | 1.11Å | |
C' | O' | doub | 1.21Å | 1.26Å | |
CB' | CG' | sing | 1.53Å | 1.56Å | |
CB' | HB'1 | sing | 1.09Å | 1.12Å | |
CB' | HB'2 | sing | 1.09Å | 1.12Å | |
CG' | CD' | sing | 1.53Å | 1.54Å | |
CG' | HG'1 | sing | 1.09Å | 1.12Å | |
CG' | HG'2 | sing | 1.09Å | 1.11Å | |
CD' | CE' | sing | 1.53Å | 1.55Å | |
CD' | HD'1 | sing | 1.09Å | 1.11Å | |
CD' | HD'2 | sing | 1.09Å | 1.12Å | |
CE' | NZ' | sing | 1.47Å | 1.48Å | |
CE' | HE'1 | sing | 1.09Å | 1.11Å | |
CE' | HE'2 | sing | 1.09Å | 1.11Å | |
NZ' | HZ'1 | sing | 1.01Å | 1.02Å | |
NZ' | HZ'2 | sing | 1.01Å | 1.02Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | N1 | O3 | 120.4° | 106.7° |
O2 | N1 | NH1 | 117.7° | 106.7° |
N1 | O2 | HO2 | 120.4° | 106.8° |
O3 | N1 | NH1 | 121.9° | 106.8° |
N1 | O3 | HO3 | 120.4° | 106.8° |
N1 | NH1 | CZ | 126.1° | 120.0° |
N1 | NH1 | HH1 | 106.3° | 119.9° |
CA | N | C' | 121.5° | 120.0° |
CA | N | HN | 123.3° | 120.0° |
N | CA | C | 111.3° | 109.4° |
N | CA | CB | 109.7° | 109.5° |
N | CA | HA | 108.2° | 109.5° |
C' | N | HN | 115.2° | 120.0° |
N | C' | CA' | 118.0° | 120.0° |
N | C' | O' | 119.9° | 120.0° |
C | CA | CB | 109.8° | 109.6° |
C | CA | HA | 108.1° | 109.4° |
CA | C | N2 | 121.4° | 120.0° |
CA | C | O | 122.2° | 120.0° |
CB | CA | HA | 109.8° | 109.4° |
CA | CB | CG | 113.0° | 109.5° |
CA | CB | HB1 | 110.9° | 109.4° |
CA | CB | HB2 | 110.9° | 109.4° |
N2 | C | O | 116.4° | 120.0° |
C | N2 | HN21 | 116.5° | 120.0° |
C | N2 | HN22 | 121.4° | 120.0° |
HN21 | N2 | HN22 | 122.2° | 120.0° |
CG | CB | HB1 | 110.9° | 109.5° |
CG | CB | HB2 | 110.9° | 109.5° |
CB | CG | CD | 109.2° | 109.6° |
CB | CG | HG1 | 112.3° | 109.5° |
CB | CG | HG2 | 112.3° | 109.4° |
HB1 | CB | HB2 | 99.4° | 109.4° |
CD | CG | HG1 | 112.3° | 109.5° |
CD | CG | HG2 | 112.3° | 109.4° |
CG | CD | NE | 108.3° | 109.6° |
CG | CD | HD1 | 112.6° | 109.5° |
CG | CD | HD2 | 112.6° | 109.4° |
HG1 | CG | HG2 | 98.1° | 109.5° |
NE | CD | HD1 | 112.6° | 109.5° |
NE | CD | HD2 | 112.6° | 109.5° |
CD | NE | CZ | 126.6° | 120.1° |
CD | NE | HNE | 106.2° | 120.0° |
HD1 | CD | HD2 | 97.8° | 109.4° |
CZ | NE | HNE | 106.1° | 120.0° |
NE | CZ | NH1 | 119.3° | 120.0° |
NE | CZ | NH2 | 118.0° | 120.0° |
NH1 | CZ | NH2 | 122.7° | 120.0° |
CZ | NH1 | HH1 | 106.4° | 120.1° |
CZ | NH2 | HH2 | 116.8° | 120.0° |
CA' | N' | HN'1 | 109.5° | 106.7° |
CA' | N' | HN'2 | 112.2° | 106.6° |
N' | CA' | C' | 109.5° | 109.5° |
N' | CA' | CB' | 108.3° | 109.5° |
N' | CA' | HA' | 111.8° | 109.5° |
HN'1 | N' | HN'2 | 112.2° | 106.7° |
C' | CA' | CB' | 113.6° | 109.5° |
C' | CA' | HA' | 106.2° | 109.5° |
CA' | C' | O' | 122.0° | 120.0° |
CB' | CA' | HA' | 107.5° | 109.5° |
CA' | CB' | CG' | 115.6° | 109.5° |
CA' | CB' | HB'1 | 110.0° | 109.5° |
CA' | CB' | HB'2 | 110.0° | 109.5° |
CG' | CB' | HB'1 | 110.0° | 109.4° |
CG' | CB' | HB'2 | 110.0° | 109.5° |
CB' | CG' | CD' | 109.4° | 109.5° |
CB' | CG' | HG'1 | 112.2° | 109.5° |
CB' | CG' | HG'2 | 112.2° | 109.4° |
HB'1 | CB' | HB'2 | 100.2° | 109.5° |
CD' | CG' | HG'1 | 112.2° | 109.5° |
CD' | CG' | HG'2 | 112.2° | 109.5° |
CG' | CD' | CE' | 113.2° | 109.4° |
CG' | CD' | HD'1 | 110.9° | 109.5° |
CG' | CD' | HD'2 | 110.9° | 109.4° |
HG'1 | CG' | HG'2 | 98.2° | 109.4° |
CE' | CD' | HD'1 | 110.9° | 109.5° |
CE' | CD' | HD'2 | 110.9° | 109.5° |
CD' | CE' | NZ' | 107.4° | 109.5° |
CD' | CE' | HE'1 | 112.9° | 109.5° |
CD' | CE' | HE'2 | 113.0° | 109.5° |
HD'1 | CD' | HD'2 | 99.4° | 109.5° |
NZ' | CE' | HE'1 | 113.0° | 109.5° |
NZ' | CE' | HE'2 | 113.0° | 109.4° |
CE' | NZ' | HZ'1 | 107.4° | 106.7° |
CE' | NZ' | HZ'2 | 113.0° | 106.7° |
HE'1 | CE' | HE'2 | 97.5° | 109.5° |
HZ'1 | NZ' | HZ'2 | 112.9° | 106.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | N1 | O3 | NH1 | 179.1° | 113.8° |
O2 | N1 | O3 | HO3 | 180.0° | 66.3° |
O2 | N1 | NH1 | CZ | 153.3° | 120.0° |
O2 | N1 | NH1 | HH1 | 28.1° | 60.0° |
O3 | N1 | O2 | HO2 | 179.9° | 66.2° |
O3 | N1 | NH1 | CZ | 27.5° | 126.2° |
O3 | N1 | NH1 | HH1 | 152.8° | 53.8° |
NH1 | N1 | O2 | HO2 | 0.9° | 180.0° |
NH1 | N1 | O3 | HO3 | 0.9° | 179.9° |
N1 | NH1 | CZ | NE | 164.5° | 180.0° |
N1 | NH1 | CZ | HH1 | 125.2° | 180.0° |
N1 | NH1 | CZ | NH2 | 15.3° | 0.0° |
CA | N | C' | HN | 180.0° | 179.9° |
N | CA | C | CB | 121.6° | 120.1° |
N | CA | C | HA | 118.7° | 120.0° |
N | CA | CB | HA | 118.8° | 120.0° |
N | CA | C | N2 | 55.1° | 30.1° |
N | CA | C | O | 124.3° | 150.0° |
N | CA | CB | CG | 161.7° | 60.0° |
N | CA | CB | HB1 | 73.1° | 179.9° |
N | CA | CB | HB2 | 36.4° | 60.0° |
CA | N | C' | CA' | 178.2° | 180.0° |
CA | N | C' | O' | 0.3° | 0.0° |
C' | N | CA | C | 65.1° | 89.9° |
C' | N | CA | CB | 173.2° | 150.0° |
C' | N | CA | HA | 53.5° | 30.0° |
N | C' | CA' | N' | 141.3° | 150.0° |
N | C' | CA' | O' | 177.8° | 180.0° |
N | C' | CA' | CB' | 97.4° | 90.0° |
N | C' | CA' | HA' | 20.5° | 30.0° |
HN | N | CA | C | 114.9° | 90.1° |
HN | N | CA | CB | 6.8° | 30.0° |
HN | N | CA | HA | 126.5° | 149.9° |
HN | N | C' | CA' | 1.9° | 0.1° |
HN | N | C' | O' | 179.7° | 179.9° |
C | CA | CB | HA | 118.6° | 120.0° |
CA | C | N2 | O | 179.4° | 180.0° |
CA | C | N2 | HN21 | 0.5° | 180.0° |
CA | C | N2 | HN22 | 180.0° | 0.0° |
C | CA | CB | CG | 75.8° | 180.0° |
C | CA | CB | HB1 | 49.5° | 59.9° |
C | CA | CB | HB2 | 159.0° | 60.0° |
CB | CA | C | N2 | 66.5° | 90.0° |
CB | CA | C | O | 114.1° | 90.0° |
CA | CB | CG | HB1 | 125.2° | 120.0° |
CA | CB | CG | HB2 | 125.3° | 120.0° |
CA | CB | HB1 | HB2 | 116.8° | 119.9° |
CA | CB | CG | CD | 169.0° | 180.0° |
CA | CB | CG | HG1 | 43.7° | 59.9° |
CA | CB | CG | HG2 | 65.8° | 60.0° |
HA | CA | C | N2 | 173.8° | 150.0° |
HA | CA | C | O | 5.6° | 30.0° |
HA | CA | CB | CG | 42.9° | 60.0° |
HA | CA | CB | HB1 | 168.1° | 60.0° |
HA | CA | CB | HB2 | 82.4° | 179.9° |
C | N2 | HN21 | HN22 | 179.5° | 180.0° |
O | C | N2 | HN21 | 180.0° | 0.0° |
O | C | N2 | HN22 | 0.5° | 180.0° |
CG | CB | HB1 | HB2 | 116.8° | 120.0° |
CB | CG | CD | HG1 | 125.3° | 120.1° |
CB | CG | CD | HG2 | 125.2° | 119.9° |
CB | CG | HG1 | HG2 | 118.2° | 119.9° |
CB | CG | CD | NE | 161.8° | 180.0° |
CB | CG | CD | HD1 | 73.0° | 59.9° |
CB | CG | CD | HD2 | 36.5° | 60.0° |
HB1 | CB | CG | CD | 65.8° | 59.9° |
HB1 | CB | CG | HG1 | 168.9° | 180.0° |
HB1 | CB | CG | HG2 | 59.5° | 60.0° |
HB2 | CB | CG | CD | 43.7° | 60.0° |
HB2 | CB | CG | HG1 | 81.6° | 60.0° |
HB2 | CB | CG | HG2 | 169.0° | 180.0° |
CD | CG | HG1 | HG2 | 118.2° | 119.9° |
CG | CD | NE | HD1 | 125.2° | 120.1° |
CG | CD | NE | HD2 | 125.3° | 120.0° |
CG | CD | HD1 | HD2 | 118.6° | 119.9° |
CG | CD | NE | CZ | 130.4° | 179.9° |
CG | CD | NE | HNE | 5.2° | 0.0° |
HG1 | CG | CD | NE | 36.5° | 59.9° |
HG1 | CG | CD | HD1 | 161.7° | 180.0° |
HG1 | CG | CD | HD2 | 88.8° | 60.1° |
HG2 | CG | CD | NE | 73.0° | 60.0° |
HG2 | CG | CD | HD1 | 52.3° | 60.1° |
HG2 | CG | CD | HD2 | 161.7° | 179.9° |
NE | CD | HD1 | HD2 | 118.6° | 120.0° |
CD | NE | CZ | HNE | 125.2° | 180.0° |
CD | NE | CZ | NH1 | 0.0° | 180.0° |
CD | NE | CZ | NH2 | 179.8° | 0.0° |
HD1 | CD | NE | CZ | 5.2° | 60.0° |
HD1 | CD | NE | HNE | 120.0° | 120.0° |
HD2 | CD | NE | CZ | 104.3° | 60.0° |
HD2 | CD | NE | HNE | 130.5° | 120.0° |
NE | CZ | NH1 | NH2 | 179.8° | 180.0° |
NE | CZ | NH1 | HH1 | 39.3° | 0.0° |
NE | CZ | NH2 | HH2 | 70.4° | 180.0° |
HNE | NE | CZ | NH1 | 125.2° | 0.0° |
HNE | NE | CZ | NH2 | 54.6° | 179.9° |
NH1 | CZ | NH2 | HH2 | 109.4° | 0.1° |
NH2 | CZ | NH1 | HH1 | 140.5° | 180.0° |
CA' | N' | HN'1 | HN'2 | 125.3° | 113.7° |
N' | CA' | C' | CB' | 121.2° | 120.0° |
N' | CA' | C' | HA' | 120.8° | 120.0° |
N' | CA' | CB' | HA' | 120.9° | 120.0° |
N' | CA' | C' | O' | 36.5° | 30.0° |
N' | CA' | CB' | CG' | 56.7° | 60.0° |
N' | CA' | CB' | HB'1 | 177.9° | 59.9° |
N' | CA' | CB' | HB'2 | 68.5° | 180.0° |
HN'1 | N' | CA' | C' | 180.0° | 60.0° |
HN'1 | N' | CA' | CB' | 55.5° | 60.0° |
HN'1 | N' | CA' | HA' | 62.7° | 180.0° |
HN'2 | N' | CA' | C' | 54.7° | 53.8° |
HN'2 | N' | CA' | CB' | 179.1° | 173.8° |
HN'2 | N' | CA' | HA' | 62.7° | 66.2° |
C' | CA' | CB' | HA' | 117.2° | 120.0° |
C' | CA' | CB' | CG' | 178.6° | 180.0° |
C' | CA' | CB' | HB'1 | 56.1° | 60.1° |
C' | CA' | CB' | HB'2 | 53.4° | 60.0° |
CB' | CA' | C' | O' | 84.8° | 90.0° |
CA' | CB' | CG' | HB'1 | 125.3° | 120.0° |
CA' | CB' | CG' | HB'2 | 125.3° | 120.0° |
CA' | CB' | HB'1 | HB'2 | 115.8° | 120.0° |
CA' | CB' | CG' | CD' | 136.1° | 180.0° |
CA' | CB' | CG' | HG'1 | 98.6° | 60.0° |
CA' | CB' | CG' | HG'2 | 10.9° | 60.0° |
HA' | CA' | C' | O' | 157.3° | 150.0° |
HA' | CA' | CB' | CG' | 64.2° | 60.0° |
HA' | CA' | CB' | HB'1 | 61.1° | 180.0° |
HA' | CA' | CB' | HB'2 | 170.6° | 60.0° |
CG' | CB' | HB'1 | HB'2 | 115.8° | 120.0° |
CB' | CG' | CD' | HG'1 | 125.2° | 120.0° |
CB' | CG' | CD' | HG'2 | 125.3° | 119.9° |
CB' | CG' | HG'1 | HG'2 | 118.2° | 120.0° |
CB' | CG' | CD' | CE' | 166.6° | 180.0° |
CB' | CG' | CD' | HD'1 | 68.1° | 60.0° |
CB' | CG' | CD' | HD'2 | 41.3° | 60.0° |
HB'1 | CB' | CG' | CD' | 10.8° | 60.0° |
HB'1 | CB' | CG' | HG'1 | 136.1° | 179.9° |
HB'1 | CB' | CG' | HG'2 | 114.4° | 60.0° |
HB'2 | CB' | CG' | CD' | 98.6° | 60.0° |
HB'2 | CB' | CG' | HG'1 | 26.6° | 60.0° |
HB'2 | CB' | CG' | HG'2 | 136.1° | 180.0° |
CD' | CG' | HG'1 | HG'2 | 118.2° | 120.0° |
CG' | CD' | CE' | HD'1 | 125.3° | 120.0° |
CG' | CD' | CE' | HD'2 | 125.3° | 120.0° |
CG' | CD' | HD'1 | HD'2 | 116.7° | 120.0° |
CG' | CD' | CE' | NZ' | 135.5° | 179.9° |
CG' | CD' | CE' | HE'1 | 10.3° | 60.0° |
CG' | CD' | CE' | HE'2 | 99.2° | 60.0° |
HG'1 | CG' | CD' | CE' | 41.4° | 60.0° |
HG'1 | CG' | CD' | HD'1 | 166.7° | 180.0° |
HG'1 | CG' | CD' | HD'2 | 83.9° | 60.0° |
HG'2 | CG' | CD' | CE' | 68.2° | 60.0° |
HG'2 | CG' | CD' | HD'1 | 57.2° | 60.0° |
HG'2 | CG' | CD' | HD'2 | 166.6° | 180.0° |
CE' | CD' | HD'1 | HD'2 | 116.7° | 120.0° |
CD' | CE' | NZ' | HE'1 | 125.2° | 120.1° |
CD' | CE' | NZ' | HE'2 | 125.3° | 120.0° |
CD' | CE' | HE'1 | HE'2 | 118.9° | 120.0° |
CD' | CE' | NZ' | HZ'1 | 180.0° | 180.0° |
CD' | CE' | NZ' | HZ'2 | 54.7° | 66.2° |
HD'1 | CD' | CE' | NZ' | 99.2° | 60.0° |
HD'1 | CD' | CE' | HE'1 | 135.6° | 60.0° |
HD'1 | CD' | CE' | HE'2 | 26.1° | NaN° |
HD'2 | CD' | CE' | NZ' | 10.3° | 60.0° |
HD'2 | CD' | CE' | HE'1 | 114.9° | 180.0° |
HD'2 | CD' | CE' | HE'2 | 135.5° | 60.0° |
NZ' | CE' | HE'1 | HE'2 | 118.9° | 120.0° |
CE' | NZ' | HZ'1 | HZ'2 | 125.3° | 113.8° |
HE'1 | CE' | NZ' | HZ'1 | 54.8° | 60.0° |
HE'1 | CE' | NZ' | HZ'2 | 70.5° | 173.8° |
HE'2 | CE' | NZ' | HZ'1 | 54.8° | 60.0° |
HE'2 | CE' | NZ' | HZ'2 | 180.0° | 53.8° |