RIN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.45Å | |
N | H | sing | 1.01Å | 1.02Å | |
N | HN2 | sing | 1.01Å | 1.02Å | |
CA | CB | sing | 1.53Å | 1.54Å | |
CA | C | sing | 1.51Å | 1.53Å | |
CA | HA | sing | 1.09Å | 1.12Å | |
CB | CG | sing | 1.53Å | 1.53Å | |
CB | HB1 | sing | 1.09Å | 1.11Å | |
CB | HB2 | sing | 1.09Å | 1.11Å | |
CG | CD | sing | 1.53Å | 1.50Å | |
CG | HG1 | sing | 1.09Å | 1.11Å | |
CG | HG2 | sing | 1.09Å | 1.12Å | |
CD | CE | sing | 1.53Å | 1.55Å | |
CD | HD1 | sing | 1.09Å | 1.12Å | |
CD | HD2 | sing | 1.09Å | 1.11Å | |
CE | CZ | sing | 1.53Å | 1.53Å | |
CE | HE1 | sing | 1.09Å | 1.12Å | |
CE | HE2 | sing | 1.09Å | 1.11Å | |
CZ | C5 | sing | 1.53Å | 1.50Å | |
CZ | HZ1 | sing | 1.09Å | 1.11Å | |
CZ | HZ2 | sing | 1.09Å | 1.11Å | |
C5 | C4 | sing | 1.53Å | 1.51Å | |
C5 | H51 | sing | 1.09Å | 1.12Å | |
C5 | H52 | sing | 1.09Å | 1.11Å | |
C4 | C3 | sing | 1.53Å | 1.52Å | |
C4 | H41 | sing | 1.09Å | 1.12Å | |
C4 | H42 | sing | 1.09Å | 1.11Å | |
C3 | C2 | sing | 1.53Å | 1.51Å | |
C3 | H31 | sing | 1.09Å | 1.12Å | |
C3 | H32 | sing | 1.09Å | 1.12Å | |
C2 | C1 | sing | 1.53Å | 1.54Å | |
C2 | H21 | sing | 1.09Å | 1.12Å | |
C2 | H22 | sing | 1.09Å | 1.11Å | |
C1 | N1 | sing | 1.48Å | 1.47Å | |
C1 | H11 | sing | 1.09Å | 1.12Å | |
C1 | H12 | sing | 1.09Å | 1.12Å | |
N1 | C | sing | 1.36Å | 1.33Å | |
N1 | HN1 | sing | 0.97Å | 1.02Å | |
C | O | doub | 1.21Å | 1.24Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CA | N | H | 107.7° | 106.7° |
CA | N | HN2 | 112.9° | 106.7° |
N | CA | CB | 107.7° | 109.5° |
N | CA | C | 113.7° | 109.5° |
N | CA | HA | 109.2° | 109.4° |
H | N | HN2 | 112.9° | 106.7° |
CB | CA | C | 113.2° | 109.5° |
CB | CA | HA | 109.8° | 109.4° |
CA | CB | CG | 118.3° | 109.5° |
CA | CB | HB1 | 109.0° | 109.5° |
CA | CB | HB2 | 109.0° | 109.5° |
C | CA | HA | 103.2° | 109.5° |
CA | C | N1 | 115.9° | 118.8° |
CA | C | O | 120.9° | 120.6° |
CG | CB | HB1 | 109.0° | 109.4° |
CG | CB | HB2 | 109.0° | 109.5° |
CB | CG | CD | 113.5° | 109.5° |
CB | CG | HG1 | 110.7° | 109.4° |
CB | CG | HG2 | 110.7° | 109.5° |
HB1 | CB | HB2 | 101.1° | 109.5° |
CD | CG | HG1 | 110.7° | 109.5° |
CD | CG | HG2 | 110.7° | 109.4° |
CG | CD | CE | 110.0° | 109.5° |
CG | CD | HD1 | 112.0° | 109.5° |
CG | CD | HD2 | 112.0° | 109.4° |
HG1 | CG | HG2 | 99.6° | 109.5° |
CE | CD | HD1 | 112.0° | 109.5° |
CE | CD | HD2 | 112.1° | 109.5° |
CD | CE | CZ | 111.8° | 109.5° |
CD | CE | HE1 | 111.3° | 109.5° |
CD | CE | HE2 | 111.4° | 109.5° |
HD1 | CD | HD2 | 98.3° | 109.4° |
CZ | CE | HE1 | 111.3° | 109.4° |
CZ | CE | HE2 | 111.3° | 109.4° |
CE | CZ | C5 | 111.6° | 109.5° |
CE | CZ | HZ1 | 111.5° | 109.5° |
CE | CZ | HZ2 | 111.4° | 109.4° |
HE1 | CE | HE2 | 99.0° | 109.5° |
C5 | CZ | HZ1 | 111.4° | 109.5° |
C5 | CZ | HZ2 | 111.4° | 109.5° |
CZ | C5 | C4 | 110.7° | 109.5° |
CZ | C5 | H51 | 111.8° | 109.5° |
CZ | C5 | H52 | 111.8° | 109.5° |
HZ1 | CZ | HZ2 | 99.0° | 109.5° |
C4 | C5 | H51 | 111.7° | 109.4° |
C4 | C5 | H52 | 111.7° | 109.5° |
C5 | C4 | C3 | 110.5° | 109.5° |
C5 | C4 | H41 | 111.8° | 109.5° |
C5 | C4 | H42 | 111.9° | 109.4° |
H51 | C5 | H52 | 98.7° | 109.5° |
C3 | C4 | H41 | 111.8° | 109.5° |
C3 | C4 | H42 | 111.8° | 109.4° |
C4 | C3 | C2 | 111.3° | 109.5° |
C4 | C3 | H31 | 111.6° | 109.5° |
C4 | C3 | H32 | 111.5° | 109.4° |
H41 | C4 | H42 | 98.6° | 109.5° |
C2 | C3 | H31 | 111.6° | 109.5° |
C2 | C3 | H32 | 111.5° | 109.4° |
C3 | C2 | C1 | 110.9° | 109.4° |
C3 | C2 | H21 | 111.7° | 109.5° |
C3 | C2 | H22 | 111.7° | 109.5° |
H31 | C3 | H32 | 98.8° | 109.5° |
C1 | C2 | H21 | 111.6° | 109.4° |
C1 | C2 | H22 | 111.7° | 109.4° |
C2 | C1 | N1 | 111.6° | 108.7° |
C2 | C1 | H11 | 111.4° | 109.6° |
C2 | C1 | H12 | 111.4° | 109.6° |
H21 | C2 | H22 | 98.7° | 109.5° |
N1 | C1 | H11 | 111.5° | 109.6° |
N1 | C1 | H12 | 111.5° | 109.6° |
C1 | N1 | C | 124.1° | 115.6° |
C1 | N1 | HN1 | 123.4° | 122.2° |
H11 | C1 | H12 | 98.9° | 109.8° |
C | N1 | HN1 | 112.5° | 122.2° |
N1 | C | O | 123.1° | 120.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CA | N | H | HN2 | 125.3° | 113.8° |
N | CA | CB | C | 126.6° | 120.0° |
N | CA | CB | HA | 118.8° | 119.9° |
N | CA | C | HA | 118.1° | 120.0° |
N | CA | CB | CG | 168.2° | 160.0° |
N | CA | CB | HB1 | 66.5° | 40.0° |
N | CA | CB | HB2 | 43.0° | 80.0° |
N | CA | C | N1 | 123.5° | 57.8° |
N | CA | C | O | 54.5° | 122.2° |
H | N | CA | CB | 180.0° | 66.2° |
H | N | CA | C | 53.8° | 53.8° |
H | N | CA | HA | 60.8° | 173.9° |
HN2 | N | CA | CB | 54.7° | 180.0° |
HN2 | N | CA | C | 179.0° | 60.0° |
HN2 | N | CA | HA | 64.4° | 60.0° |
CB | CA | C | HA | 118.6° | 120.0° |
CA | CB | CG | HB1 | 125.2° | 120.0° |
CA | CB | CG | HB2 | 125.3° | 120.0° |
CA | CB | HB1 | HB2 | 114.7° | 120.0° |
CA | CB | CG | CD | 75.8° | 167.4° |
CA | CB | CG | HG1 | 158.9° | 47.3° |
CA | CB | CG | HG2 | 49.4° | 72.6° |
CB | CA | C | N1 | 113.2° | 62.3° |
CB | CA | C | O | 68.8° | 117.7° |
C | CA | CB | CG | 41.7° | 80.0° |
C | CA | CB | HB1 | 166.9° | 160.0° |
C | CA | CB | HB2 | 83.6° | 40.0° |
CA | C | N1 | C1 | 179.0° | 179.9° |
CA | C | N1 | O | 178.0° | 180.0° |
CA | C | N1 | HN1 | 1.0° | 0.0° |
HA | CA | CB | CG | 73.0° | 40.0° |
HA | CA | CB | HB1 | 52.3° | 80.0° |
HA | CA | CB | HB2 | 161.8° | 160.0° |
HA | CA | C | N1 | 5.4° | 177.7° |
HA | CA | C | O | 172.6° | 2.2° |
CG | CB | HB1 | HB2 | 114.8° | 120.0° |
CB | CG | CD | HG1 | 125.3° | 120.0° |
CB | CG | CD | HG2 | 125.2° | 120.0° |
CB | CG | HG1 | HG2 | 116.6° | 120.0° |
CB | CG | CD | CE | 173.4° | 121.6° |
CB | CG | CD | HD1 | 61.4° | 118.3° |
CB | CG | CD | HD2 | 48.0° | 1.7° |
HB1 | CB | CG | CD | 49.4° | 72.6° |
HB1 | CB | CG | HG1 | 75.9° | 167.3° |
HB1 | CB | CG | HG2 | 174.6° | 47.4° |
HB2 | CB | CG | CD | 158.9° | 47.4° |
HB2 | CB | CG | HG1 | 33.7° | 72.7° |
HB2 | CB | CG | HG2 | 75.9° | 167.4° |
CD | CG | HG1 | HG2 | 116.6° | 120.0° |
CG | CD | CE | HD1 | 125.3° | 120.1° |
CG | CD | CE | HD2 | 125.3° | 119.9° |
CG | CD | HD1 | HD2 | 117.9° | 119.9° |
CG | CD | CE | CZ | 50.5° | 107.7° |
CG | CD | CE | HE1 | 175.7° | 12.3° |
CG | CD | CE | HE2 | 74.8° | 132.3° |
HG1 | CG | CD | CE | 48.1° | 1.6° |
HG1 | CG | CD | HD1 | 173.3° | 121.7° |
HG1 | CG | CD | HD2 | 77.2° | 118.3° |
HG2 | CG | CD | CE | 61.4° | 118.4° |
HG2 | CG | CD | HD1 | 63.8° | 1.7° |
HG2 | CG | CD | HD2 | 173.2° | 121.7° |
CE | CD | HD1 | HD2 | 118.0° | 120.0° |
CD | CE | CZ | HE1 | 125.2° | 120.0° |
CD | CE | CZ | HE2 | 125.3° | 120.0° |
CD | CE | HE1 | HE2 | 117.2° | 120.0° |
CD | CE | CZ | C5 | 103.9° | 138.7° |
CD | CE | CZ | HZ1 | 130.8° | 101.3° |
CD | CE | CZ | HZ2 | 21.3° | 18.7° |
HD1 | CD | CE | CZ | 74.8° | 132.2° |
HD1 | CD | CE | HE1 | 50.5° | 107.8° |
HD1 | CD | CE | HE2 | 160.0° | 12.2° |
HD2 | CD | CE | CZ | 175.8° | 12.2° |
HD2 | CD | CE | HE1 | 59.0° | 132.2° |
HD2 | CD | CE | HE2 | 50.5° | 107.7° |
CZ | CE | HE1 | HE2 | 117.2° | 119.9° |
CE | CZ | C5 | HZ1 | 125.3° | 120.0° |
CE | CZ | C5 | HZ2 | 125.2° | 120.0° |
CE | CZ | HZ1 | HZ2 | 117.3° | 120.0° |
CE | CZ | C5 | C4 | 140.3° | 129.0° |
CE | CZ | C5 | H51 | 15.1° | 9.1° |
CE | CZ | C5 | H52 | 94.4° | 110.9° |
HE1 | CE | CZ | C5 | 21.3° | 18.7° |
HE1 | CE | CZ | HZ1 | 104.0° | 138.7° |
HE1 | CE | CZ | HZ2 | 146.5° | 101.3° |
HE2 | CE | CZ | C5 | 130.8° | 101.3° |
HE2 | CE | CZ | HZ1 | 5.5° | 18.7° |
HE2 | CE | CZ | HZ2 | 104.0° | 138.8° |
C5 | CZ | HZ1 | HZ2 | 117.3° | 120.0° |
CZ | C5 | C4 | H51 | 125.2° | 120.0° |
CZ | C5 | C4 | H52 | 125.3° | 120.0° |
CZ | C5 | H51 | H52 | 117.7° | 120.0° |
CZ | C5 | C4 | C3 | 87.0° | 114.5° |
CZ | C5 | C4 | H41 | 147.8° | 125.4° |
CZ | C5 | C4 | H42 | 38.3° | 5.4° |
HZ1 | CZ | C5 | C4 | 94.3° | 110.9° |
HZ1 | CZ | C5 | H51 | 140.4° | 129.1° |
HZ1 | CZ | C5 | H52 | 30.9° | 9.1° |
HZ2 | CZ | C5 | C4 | 15.1° | 9.1° |
HZ2 | CZ | C5 | H51 | 110.1° | 110.8° |
HZ2 | CZ | C5 | H52 | 140.3° | 129.1° |
C4 | C5 | H51 | H52 | 117.6° | 120.0° |
C5 | C4 | C3 | H41 | 125.2° | 120.1° |
C5 | C4 | C3 | H42 | 125.3° | 119.9° |
C5 | C4 | H41 | H42 | 117.8° | 119.9° |
C5 | C4 | C3 | C2 | 132.5° | 156.7° |
C5 | C4 | C3 | H31 | 7.2° | 36.7° |
C5 | C4 | C3 | H32 | 102.2° | 83.3° |
H51 | C5 | C4 | C3 | 38.3° | 5.5° |
H51 | C5 | C4 | H41 | 86.9° | 114.6° |
H51 | C5 | C4 | H42 | 163.5° | 125.4° |
H52 | C5 | C4 | C3 | 147.8° | 125.5° |
H52 | C5 | C4 | H41 | 22.5° | 5.4° |
H52 | C5 | C4 | H42 | 87.0° | 114.6° |
C3 | C4 | H41 | H42 | 117.7° | 119.9° |
C4 | C3 | C2 | H31 | 125.3° | 120.0° |
C4 | C3 | C2 | H32 | 125.2° | 120.0° |
C4 | C3 | H31 | H32 | 117.4° | 120.0° |
C4 | C3 | C2 | C1 | 164.5° | 137.8° |
C4 | C3 | C2 | H21 | 70.3° | 102.2° |
C4 | C3 | C2 | H22 | 39.2° | 17.9° |
H41 | C4 | C3 | C2 | 102.2° | 83.2° |
H41 | C4 | C3 | H31 | 132.5° | 156.8° |
H41 | C4 | C3 | H32 | 23.0° | 36.8° |
H42 | C4 | C3 | C2 | 7.2° | 36.8° |
H42 | C4 | C3 | H31 | 118.1° | 83.3° |
H42 | C4 | C3 | H32 | 132.5° | 156.8° |
C2 | C3 | H31 | H32 | 117.4° | 120.0° |
C3 | C2 | C1 | H21 | 125.3° | 120.0° |
C3 | C2 | C1 | H22 | 125.3° | 120.0° |
C3 | C2 | H21 | H22 | 117.6° | 120.1° |
C3 | C2 | C1 | N1 | 66.1° | 79.6° |
C3 | C2 | C1 | H11 | 59.2° | 40.1° |
C3 | C2 | C1 | H12 | 168.6° | 160.6° |
H31 | C3 | C2 | C1 | 39.2° | 17.8° |
H31 | C3 | C2 | H21 | 164.4° | 137.8° |
H31 | C3 | C2 | H22 | 86.1° | 102.2° |
H32 | C3 | C2 | C1 | 70.3° | 102.2° |
H32 | C3 | C2 | H21 | 54.9° | 17.7° |
H32 | C3 | C2 | H22 | 164.4° | 137.8° |
C1 | C2 | H21 | H22 | 117.6° | 120.0° |
C2 | C1 | N1 | H11 | 125.3° | 119.8° |
C2 | C1 | N1 | H12 | 125.3° | 119.7° |
C2 | C1 | H11 | H12 | 117.3° | 120.4° |
C2 | C1 | N1 | C | 81.1° | 125.4° |
C2 | C1 | N1 | HN1 | 98.9° | 54.6° |
H21 | C2 | C1 | N1 | 168.6° | 160.4° |
H21 | C2 | C1 | H11 | 66.1° | 79.9° |
H21 | C2 | C1 | H12 | 43.3° | 40.6° |
H22 | C2 | C1 | N1 | 59.2° | 40.4° |
H22 | C2 | C1 | H11 | 175.5° | 160.1° |
H22 | C2 | C1 | H12 | 66.1° | 79.4° |
N1 | C1 | H11 | H12 | 117.3° | 120.4° |
C1 | N1 | C | HN1 | 180.0° | 180.0° |
C1 | N1 | C | O | 3.0° | 0.1° |
H11 | C1 | N1 | C | 153.5° | 5.7° |
H11 | C1 | N1 | HN1 | 26.4° | 174.3° |
H12 | C1 | N1 | C | 44.1° | 114.9° |
H12 | C1 | N1 | HN1 | 135.8° | 65.2° |
HN1 | N1 | C | O | 176.9° | 179.9° |