Q3P
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C | doub | 1.21Å | 1.26Å | |
N | CA | sing | 1.47Å | 1.50Å | |
C | CA | sing | 1.51Å | 1.50Å | |
CA | CB | sing | 1.53Å | 1.51Å | |
CB | CG | sing | 1.53Å | 1.53Å | |
CE | NZ | sing | 1.47Å | 1.46Å | |
CE | CD | sing | 1.53Å | 1.53Å | |
CG | CD | sing | 1.53Å | 1.55Å | |
O2 | C1 | doub | 1.21Å | 1.23Å | |
NZ | C1 | sing | 1.35Å | 1.34Å | |
C1 | C4 | sing | 1.51Å | 1.51Å | |
C4 | N5 | sing | 1.47Å | 1.50Å | |
C | OXT | sing | 1.34Å | 1.33Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H41 | sing | 1.09Å | 1.10Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
N | H1 | sing | 1.01Å | 1.00Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CG | HG3 | sing | 1.09Å | 1.10Å | |
CG | HG2 | sing | 1.09Å | 1.10Å | |
CD | HD3 | sing | 1.09Å | 1.10Å | |
CD | HD2 | sing | 1.09Å | 1.10Å | |
CE | HE3 | sing | 1.09Å | 1.10Å | |
CE | HE2 | sing | 1.09Å | 1.10Å | |
NZ | HZ3 | sing | 0.97Å | 1.00Å | |
N5 | HN5 | sing | 1.01Å | 1.00Å | |
N5 | HN51 | sing | 1.01Å | 1.00Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | CA | 119.6° | 120.0° |
O | C | OXT | 123.1° | 120.0° |
N | CA | C | 110.6° | 109.5° |
N | CA | CB | 112.1° | 109.4° |
CA | N | H2 | 109.5° | 111.0° |
CA | N | H1 | 109.5° | 111.0° |
N | CA | HA | 108.5° | 109.5° |
C | CA | CB | 108.8° | 109.5° |
CA | C | OXT | 117.2° | 120.0° |
C | CA | HA | 108.4° | 109.5° |
CA | CB | CG | 110.8° | 109.5° |
CB | CA | HA | 108.4° | 109.5° |
CA | CB | HB3 | 109.1° | 109.5° |
CA | CB | HB2 | 109.1° | 109.4° |
CB | CG | CD | 110.7° | 109.5° |
CG | CB | HB3 | 109.1° | 109.5° |
CG | CB | HB2 | 109.1° | 109.4° |
CB | CG | HG3 | 109.2° | 109.5° |
CB | CG | HG2 | 109.2° | 109.4° |
NZ | CE | CD | 114.0° | 109.5° |
CE | NZ | C1 | 120.3° | 120.0° |
NZ | CE | HE3 | 108.3° | 109.5° |
NZ | CE | HE2 | 108.3° | 109.5° |
CE | NZ | HZ3 | 119.9° | 120.0° |
CE | CD | CG | 112.7° | 109.5° |
CE | CD | HD3 | 108.7° | 109.5° |
CE | CD | HD2 | 108.7° | 109.5° |
CD | CE | HE3 | 108.3° | 109.4° |
CD | CE | HE2 | 108.3° | 109.5° |
CD | CG | HG3 | 109.1° | 109.5° |
CD | CG | HG2 | 109.1° | 109.5° |
CG | CD | HD3 | 108.7° | 109.5° |
CG | CD | HD2 | 108.7° | 109.5° |
O2 | C1 | NZ | 123.5° | 120.0° |
O2 | C1 | C4 | 119.8° | 120.0° |
NZ | C1 | C4 | 116.6° | 120.0° |
C1 | NZ | HZ3 | 119.9° | 120.1° |
C1 | C4 | N5 | 112.8° | 109.4° |
C1 | C4 | H4 | 108.6° | 109.5° |
C1 | C4 | H41 | 108.6° | 109.5° |
N5 | C4 | H4 | 108.6° | 109.5° |
N5 | C4 | H41 | 108.6° | 109.5° |
C4 | N5 | HN5 | 109.5° | 111.0° |
C4 | N5 | HN51 | 109.4° | 111.0° |
C | OXT | HXT | 109.5° | 117.0° |
H4 | C4 | H41 | 109.4° | 109.4° |
H2 | N | H1 | 109.4° | 111.0° |
HB3 | CB | HB2 | 109.5° | 109.5° |
HG3 | CG | HG2 | 109.5° | 109.4° |
HD3 | CD | HD2 | 109.5° | 109.4° |
HE3 | CE | HE2 | 109.5° | 109.5° |
HN5 | N5 | HN51 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | CA | N | 8.1° | 20.0° |
O | C | CA | OXT | 179.0° | 180.0° |
O | C | CA | CB | 115.4° | 100.0° |
O | C | CA | HA | 127.0° | 140.0° |
O | C | OXT | HXT | 0.0° | 0.1° |
N | CA | C | CB | 123.5° | 120.0° |
N | CA | C | HA | 118.8° | 120.0° |
N | CA | CB | HA | 119.7° | 120.0° |
N | CA | CB | CG | 61.0° | 65.0° |
N | CA | C | OXT | 172.9° | 160.0° |
CA | N | H2 | H1 | 120.0° | 123.9° |
N | CA | CB | HB3 | 59.2° | 55.0° |
N | CA | CB | HB2 | 178.8° | 175.0° |
C | CA | CB | HA | 117.7° | 120.0° |
C | CA | CB | CG | 176.3° | 175.0° |
C | CA | N | H2 | 180.0° | 60.0° |
C | CA | N | H1 | 60.0° | 176.1° |
C | CA | CB | HB3 | 63.5° | 65.0° |
C | CA | CB | HB2 | 56.2° | 55.1° |
CA | C | OXT | HXT | 179.0° | 180.0° |
CA | CB | CG | HB3 | 120.2° | 120.1° |
CA | CB | CG | HB2 | 120.2° | 119.9° |
CA | CB | CG | CD | 179.7° | 180.0° |
CB | CA | C | OXT | 63.6° | 80.0° |
CB | CA | N | H2 | 58.4° | 60.0° |
CB | CA | N | H1 | 178.4° | 64.0° |
CA | CB | HB3 | HB2 | 119.4° | 120.0° |
CA | CB | CG | HG3 | 60.1° | 59.9° |
CA | CB | CG | HG2 | 59.6° | 60.0° |
CB | CG | CD | CE | 78.4° | 180.0° |
CB | CG | CD | HG3 | 120.2° | 120.0° |
CB | CG | CD | HG2 | 120.2° | 120.0° |
CG | CB | CA | HA | 58.6° | 55.0° |
CG | CB | HB3 | HB2 | 119.4° | 120.0° |
CB | CG | HG3 | HG2 | 119.5° | 119.9° |
CB | CG | CD | HD3 | 161.2° | 59.9° |
CB | CG | CD | HD2 | 42.2° | 60.0° |
NZ | CE | CD | HE3 | 120.7° | 120.0° |
NZ | CE | CD | HE2 | 120.6° | 120.0° |
NZ | CE | CD | CG | 167.0° | 180.0° |
CE | NZ | C1 | O2 | 9.7° | 0.4° |
CE | NZ | C1 | HZ3 | 180.0° | 179.9° |
CE | NZ | C1 | C4 | 170.4° | 180.0° |
NZ | CE | CD | HD3 | 72.5° | 60.0° |
NZ | CE | CD | HD2 | 46.5° | 60.0° |
NZ | CE | HE3 | HE2 | 117.9° | 120.0° |
CE | CD | CG | HD3 | 120.5° | 120.0° |
CE | CD | CG | HD2 | 120.5° | 120.0° |
CD | CE | NZ | C1 | 104.7° | 180.0° |
CE | CD | CG | HG3 | 161.4° | 60.0° |
CE | CD | CG | HG2 | 41.8° | 60.0° |
CE | CD | HD3 | HD2 | 118.5° | 120.0° |
CD | CE | HE3 | HE2 | 117.9° | 120.0° |
CD | CE | NZ | HZ3 | 75.3° | 0.1° |
CD | CG | CB | HB3 | 59.5° | 60.0° |
CD | CG | CB | HB2 | 60.1° | 60.0° |
CD | CG | HG3 | HG2 | 119.4° | 120.1° |
CG | CD | HD3 | HD2 | 118.5° | 120.0° |
CG | CD | CE | HE3 | 46.3° | 60.0° |
CG | CD | CE | HE2 | 72.4° | 60.0° |
O2 | C1 | NZ | C4 | 179.9° | 179.6° |
O2 | C1 | C4 | N5 | 140.2° | 0.3° |
O2 | C1 | C4 | H4 | 19.6° | 119.7° |
O2 | C1 | C4 | H41 | 99.3° | 120.3° |
O2 | C1 | NZ | HZ3 | 170.3° | 179.7° |
NZ | C1 | C4 | N5 | 39.9° | 180.0° |
NZ | C1 | C4 | H4 | 160.5° | 59.9° |
NZ | C1 | C4 | H41 | 80.6° | 60.0° |
C1 | NZ | CE | HE3 | 134.6° | 60.0° |
C1 | NZ | CE | HE2 | 16.0° | 60.0° |
C1 | C4 | N5 | H4 | 120.5° | 120.0° |
C1 | C4 | N5 | H41 | 120.5° | 120.0° |
C1 | C4 | H4 | H41 | 118.5° | 120.0° |
C4 | C1 | NZ | HZ3 | 9.6° | 0.1° |
C1 | C4 | N5 | HN5 | 180.0° | 56.1° |
C1 | C4 | N5 | HN51 | 60.0° | 180.0° |
N5 | C4 | H4 | H41 | 118.5° | 120.0° |
C4 | N5 | HN5 | HN51 | 120.0° | 123.9° |
OXT | C | CA | HA | 54.1° | 40.0° |
H4 | C4 | N5 | HN5 | 59.5° | 63.9° |
H4 | C4 | N5 | HN51 | 179.5° | 60.0° |
H41 | C4 | N5 | HN5 | 59.5° | 176.1° |
H41 | C4 | N5 | HN51 | 60.5° | 60.0° |
H2 | N | CA | HA | 61.2° | 180.0° |
H1 | N | CA | HA | 58.8° | 56.1° |
HA | CA | CB | HB3 | 178.8° | 175.0° |
HA | CA | CB | HB2 | 61.5° | 64.9° |
HB3 | CB | CG | HG3 | 179.7° | 180.0° |
HB3 | CB | CG | HG2 | 60.6° | 60.1° |
HB2 | CB | CG | HG3 | 60.1° | 60.0° |
HB2 | CB | CG | HG2 | 179.8° | 179.9° |
HG3 | CG | CD | HD3 | 41.0° | 180.0° |
HG3 | CG | CD | HD2 | 78.0° | 60.0° |
HG2 | CG | CD | HD3 | 78.6° | 60.0° |
HG2 | CG | CD | HD2 | 162.3° | 180.0° |
HD3 | CD | CE | HE3 | 166.8° | 180.0° |
HD3 | CD | CE | HE2 | 48.1° | 60.0° |
HD2 | CD | CE | HE3 | 74.2° | 60.0° |
HD2 | CD | CE | HE2 | 167.1° | 180.0° |
HE3 | CE | NZ | HZ3 | 45.4° | 119.9° |
HE2 | CE | NZ | HZ3 | 164.1° | 120.1° |