QNY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C | doub | 1.21Å | 1.25Å | |
CA | C | sing | 1.51Å | 1.52Å | |
CA | N | sing | 1.47Å | 1.49Å | |
CA | CB | sing | 1.53Å | 1.55Å | |
NH1 | CZ | sing | 1.47Å | 1.50Å | |
CG2 | CB | sing | 1.53Å | 1.54Å | |
OT2 | CH2 | doub | 1.21Å | 1.22Å | |
CB | OG1 | sing | 1.43Å | 1.45Å | |
OG1 | CD | sing | 1.43Å | 1.47Å | |
CZ | CH2 | sing | 1.51Å | 1.50Å | |
CZ | CE2 | sing | 1.53Å | 1.54Å | |
CH2 | OT1 | sing | 1.34Å | 1.27Å | |
OE2 | CD | sing | 1.43Å | 1.44Å | |
CD | CE2 | sing | 1.53Å | 1.50Å | |
CD | OE1 | sing | 1.43Å | 1.49Å | |
CA | H2 | sing | 1.09Å | 1.10Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H4 | sing | 1.01Å | 1.00Å | |
CB | H6 | sing | 1.09Å | 1.10Å | |
CG2 | H7 | sing | 1.09Å | 1.10Å | |
CG2 | H8 | sing | 1.09Å | 1.10Å | |
CG2 | H9 | sing | 1.09Å | 1.10Å | |
OE2 | H10 | sing | 0.97Å | 0.95Å | |
OE1 | H11 | sing | 0.97Å | 0.95Å | |
CE2 | H12 | sing | 1.09Å | 1.10Å | |
CE2 | H13 | sing | 1.09Å | 1.10Å | |
CZ | H14 | sing | 1.09Å | 1.10Å | |
NH1 | H15 | sing | 1.01Å | 1.00Å | |
NH1 | H16 | sing | 1.01Å | 1.00Å | |
OT1 | H18 | sing | 0.97Å | 0.95Å | |
C | OXT | sing | 1.34Å | 1.30Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | CA | 118.4° | 120.0° |
O | C | OXT | 117.5° | 120.0° |
C | CA | N | 109.7° | 109.4° |
C | CA | CB | 109.2° | 109.5° |
C | CA | H2 | 108.0° | 109.4° |
CA | C | OXT | 123.9° | 120.0° |
N | CA | CB | 113.9° | 109.5° |
N | CA | H2 | 108.3° | 109.5° |
CA | N | H | 109.5° | 111.0° |
CA | N | H4 | 109.4° | 111.0° |
CA | CB | CG2 | 109.0° | 109.5° |
CA | CB | OG1 | 117.7° | 109.5° |
CB | CA | H2 | 107.6° | 109.5° |
CA | CB | H6 | 106.0° | 109.5° |
NH1 | CZ | CH2 | 105.0° | 109.4° |
NH1 | CZ | CE2 | 118.1° | 109.5° |
NH1 | CZ | H14 | 108.4° | 109.4° |
CZ | NH1 | H15 | 109.5° | 111.0° |
CZ | NH1 | H16 | 109.5° | 111.0° |
CG2 | CB | OG1 | 110.3° | 109.5° |
CG2 | CB | H6 | 106.0° | 109.5° |
CB | CG2 | H7 | 109.5° | 109.4° |
CB | CG2 | H8 | 109.5° | 109.5° |
CB | CG2 | H9 | 109.5° | 109.5° |
OT2 | CH2 | CZ | 110.6° | 120.0° |
OT2 | CH2 | OT1 | 124.2° | 120.0° |
CB | OG1 | CD | 106.9° | 114.0° |
OG1 | CB | H6 | 107.1° | 109.4° |
OG1 | CD | OE2 | 107.2° | 109.5° |
OG1 | CD | CE2 | 105.7° | 109.5° |
OG1 | CD | OE1 | 116.2° | 109.5° |
CH2 | CZ | CE2 | 108.7° | 109.5° |
CZ | CH2 | OT1 | 125.2° | 120.0° |
CH2 | CZ | H14 | 108.4° | 109.5° |
CZ | CE2 | CD | 113.1° | 109.5° |
CZ | CE2 | H12 | 108.5° | 109.4° |
CZ | CE2 | H13 | 108.6° | 109.5° |
CE2 | CZ | H14 | 107.9° | 109.5° |
CH2 | OT1 | H18 | 109.5° | 117.0° |
OE2 | CD | CE2 | 103.7° | 109.5° |
OE2 | CD | OE1 | 111.1° | 109.4° |
CD | OE2 | H10 | 109.5° | 114.0° |
CE2 | CD | OE1 | 112.1° | 109.5° |
CD | CE2 | H12 | 108.6° | 109.5° |
CD | CE2 | H13 | 108.6° | 109.4° |
CD | OE1 | H11 | 109.5° | 114.0° |
H | N | H4 | 109.5° | 111.0° |
H7 | CG2 | H8 | 109.5° | 109.5° |
H7 | CG2 | H9 | 109.5° | 109.4° |
H8 | CG2 | H9 | 109.5° | 109.5° |
H12 | CE2 | H13 | 109.5° | 109.5° |
H15 | NH1 | H16 | 109.4° | 111.0° |
C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | CA | OXT | 174.7° | 179.7° |
O | C | CA | N | 151.8° | 20.0° |
O | C | CA | CB | 82.7° | 100.0° |
O | C | CA | H2 | 34.0° | 140.0° |
O | C | OXT | HXT | 0.0° | 0.0° |
C | CA | N | CB | 122.8° | 120.0° |
C | CA | N | H2 | 117.6° | 119.9° |
C | CA | CB | H2 | 117.0° | 120.0° |
C | CA | CB | CG2 | 60.2° | 175.0° |
C | CA | CB | OG1 | 173.3° | 55.0° |
C | CA | N | H | 180.0° | 64.0° |
C | CA | N | H4 | 60.0° | 60.1° |
C | CA | CB | H6 | 53.6° | 64.9° |
CA | C | OXT | HXT | 174.7° | 179.7° |
N | CA | CB | H2 | 120.0° | 120.0° |
N | CA | CB | CG2 | 176.8° | 55.0° |
N | CA | CB | OG1 | 50.3° | 65.0° |
CA | N | H | H4 | 120.0° | 124.0° |
N | CA | CB | H6 | 69.5° | 175.1° |
N | CA | C | OXT | 33.5° | 160.3° |
CA | CB | CG2 | OG1 | 130.7° | 120.0° |
CA | CB | CG2 | H6 | 113.7° | 120.0° |
CA | CB | OG1 | H6 | 119.1° | 120.0° |
CA | CB | OG1 | CD | 107.6° | 150.0° |
CB | CA | N | H | 57.2° | 176.0° |
CB | CA | N | H4 | 177.2° | 60.0° |
CA | CB | CG2 | H7 | 180.0° | 60.0° |
CA | CB | CG2 | H8 | 60.0° | 180.0° |
CA | CB | CG2 | H9 | 60.0° | 60.0° |
CB | CA | C | OXT | 91.9° | 79.7° |
NH1 | CZ | CH2 | OT2 | 74.1° | 20.1° |
NH1 | CZ | CH2 | CE2 | 127.2° | 120.0° |
NH1 | CZ | CH2 | H14 | 115.7° | 119.9° |
NH1 | CZ | CE2 | H14 | 123.3° | 120.0° |
NH1 | CZ | CH2 | OT1 | 108.1° | 160.0° |
NH1 | CZ | CE2 | CD | 141.4° | 65.6° |
NH1 | CZ | CE2 | H12 | 20.9° | 174.4° |
NH1 | CZ | CE2 | H13 | 98.1° | 54.4° |
CZ | NH1 | H15 | H16 | 120.0° | 123.9° |
CG2 | CB | OG1 | H6 | 115.0° | 120.0° |
CG2 | CB | OG1 | CD | 126.5° | 90.0° |
CG2 | CB | CA | H2 | 56.8° | 65.0° |
CB | CG2 | H7 | H8 | 120.0° | 120.0° |
CB | CG2 | H7 | H9 | 120.0° | 120.0° |
CB | CG2 | H8 | H9 | 120.0° | 120.0° |
OT2 | CH2 | CZ | OT1 | 177.8° | 179.9° |
OT2 | CH2 | CZ | CE2 | 158.7° | 99.9° |
OT2 | CH2 | CZ | H14 | 41.6° | 140.0° |
OT2 | CH2 | OT1 | H18 | 0.0° | 0.1° |
CB | OG1 | CD | OE2 | 52.0° | 60.0° |
CB | OG1 | CD | CE2 | 162.1° | 180.0° |
CB | OG1 | CD | OE1 | 72.9° | 60.0° |
OG1 | CB | CA | H2 | 69.7° | 175.0° |
OG1 | CB | CG2 | H7 | 49.3° | 60.0° |
OG1 | CB | CG2 | H8 | 169.3° | 60.0° |
OG1 | CB | CG2 | H9 | 70.6° | 180.0° |
OG1 | CD | CE2 | CZ | 58.5° | 173.9° |
OG1 | CD | OE2 | CE2 | 111.4° | 120.0° |
OG1 | CD | OE2 | OE1 | 127.9° | 120.0° |
OG1 | CD | CE2 | OE1 | 127.6° | 120.0° |
CD | OG1 | CB | H6 | 11.5° | 30.0° |
OG1 | CD | OE2 | H10 | 180.0° | 60.0° |
OG1 | CD | OE1 | H11 | 180.0° | 60.0° |
OG1 | CD | CE2 | H12 | 62.0° | 54.0° |
OG1 | CD | CE2 | H13 | 179.0° | 66.0° |
CH2 | CZ | CE2 | H14 | 117.4° | 120.1° |
CH2 | CZ | CE2 | CD | 99.2° | 174.4° |
CH2 | CZ | CE2 | H12 | 140.2° | 54.5° |
CH2 | CZ | CE2 | H13 | 21.3° | 65.6° |
CH2 | CZ | NH1 | H15 | 180.0° | 67.7° |
CH2 | CZ | NH1 | H16 | 60.0° | 168.3° |
CZ | CH2 | OT1 | H18 | 177.5° | 180.0° |
CE2 | CZ | CH2 | OT1 | 19.1° | 80.0° |
CZ | CE2 | CD | OE2 | 54.1° | 66.1° |
CZ | CE2 | CD | H12 | 120.5° | 119.9° |
CZ | CE2 | CD | H13 | 120.5° | 120.0° |
CZ | CE2 | CD | OE1 | 174.0° | 53.9° |
CZ | CE2 | H12 | H13 | 118.4° | 120.0° |
CE2 | CZ | NH1 | H15 | 58.7° | 52.3° |
CE2 | CZ | NH1 | H16 | 178.7° | 71.6° |
OT1 | CH2 | CZ | H14 | 136.2° | 40.1° |
OE2 | CD | CE2 | OE1 | 119.9° | 120.0° |
OE2 | CD | OE1 | H11 | 57.2° | 180.0° |
OE2 | CD | CE2 | H12 | 174.6° | 174.0° |
OE2 | CD | CE2 | H13 | 66.4° | 54.0° |
CE2 | CD | OE2 | H10 | 68.5° | 60.0° |
CE2 | CD | OE1 | H11 | 58.3° | 60.1° |
CD | CE2 | H12 | H13 | 118.4° | 120.0° |
CD | CE2 | CZ | H14 | 18.1° | 54.4° |
OE1 | CD | OE2 | H10 | 52.1° | 180.0° |
OE1 | CD | CE2 | H12 | 65.5° | 66.0° |
OE1 | CD | CE2 | H13 | 53.5° | 173.9° |
H2 | CA | N | H | 62.4° | 56.0° |
H2 | CA | N | H4 | 57.6° | 180.0° |
H2 | CA | CB | H6 | 170.5° | 55.0° |
H2 | CA | C | OXT | 151.3° | 40.3° |
H6 | CB | CG2 | H7 | 66.3° | 180.0° |
H6 | CB | CG2 | H8 | 53.7° | 60.0° |
H6 | CB | CG2 | H9 | 173.7° | 60.1° |
H7 | CG2 | H8 | H9 | 120.0° | 120.0° |
H12 | CE2 | CZ | H14 | 102.4° | 65.6° |
H13 | CE2 | CZ | H14 | 138.6° | 174.4° |
H14 | CZ | NH1 | H15 | 64.3° | 172.3° |
H14 | CZ | NH1 | H16 | 55.7° | 48.4° |