9RI
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | CA | sing | 1.47Å | 1.45Å | |
CA | C | sing | 1.51Å | 1.53Å | |
CA | CB | sing | 1.53Å | 1.53Å | |
C | O | doub | 1.21Å | 1.23Å | |
CB | CG | sing | 1.53Å | 1.52Å | |
CG | CD | sing | 1.53Å | 1.51Å | |
CD | CE | sing | 1.53Å | 1.51Å | |
CE | NZ | sing | 1.47Å | 1.47Å | |
CM | NZ | sing | 1.47Å | 1.46Å | |
NZ | C4 | sing | 1.47Å | 1.51Å | |
C4 | C5 | sing | 1.55Å | 1.53Å | |
C4 | C3 | sing | 1.56Å | 1.53Å | |
C5 | C6 | sing | 1.56Å | 1.53Å | |
C3 | C7 | sing | 1.57Å | 1.53Å | |
C3 | C2 | sing | 1.56Å | 1.53Å | |
C7 | C6 | sing | 1.57Å | 1.52Å | |
C6 | C1 | sing | 1.56Å | 1.52Å | |
C2 | C1 | sing | 1.55Å | 1.54Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
CG | HG2 | sing | 1.09Å | 1.10Å | |
CG | HG3 | sing | 1.09Å | 1.10Å | |
CD | HD2 | sing | 1.09Å | 1.10Å | |
CD | HD3 | sing | 1.09Å | 1.10Å | |
CE | HE2 | sing | 1.09Å | 1.10Å | |
CE | HE3 | sing | 1.09Å | 1.10Å | |
CM | H15 | sing | 1.09Å | 1.10Å | |
CM | H16 | sing | 1.09Å | 1.10Å | |
CM | H17 | sing | 1.09Å | 1.10Å | |
C4 | H18 | sing | 1.09Å | 1.10Å | |
C5 | H19 | sing | 1.09Å | 1.10Å | |
C5 | H20 | sing | 1.09Å | 1.10Å | |
C6 | H21 | sing | 1.09Å | 1.10Å | |
C1 | H22 | sing | 1.09Å | 1.10Å | |
C1 | H23 | sing | 1.09Å | 1.10Å | |
C7 | H24 | sing | 1.09Å | 1.10Å | |
C7 | H25 | sing | 1.09Å | 1.10Å | |
C3 | H26 | sing | 1.09Å | 1.10Å | |
C2 | H27 | sing | 1.09Å | 1.10Å | |
C2 | H28 | sing | 1.09Å | 1.10Å | |
C | OXT | sing | 1.34Å | 1.34Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N | CA | C | 111.7° | 109.5° |
N | CA | CB | 110.0° | 109.4° |
N | CA | HA | 108.8° | 109.5° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.1° |
C | CA | CB | 110.4° | 109.5° |
CA | C | O | 119.8° | 120.0° |
C | CA | HA | 107.9° | 109.5° |
CA | C | OXT | 116.4° | 120.0° |
CA | CB | CG | 113.6° | 109.5° |
CB | CA | HA | 107.9° | 109.5° |
CA | CB | HB2 | 108.4° | 109.5° |
CA | CB | HB3 | 108.4° | 109.5° |
O | C | OXT | 123.7° | 120.0° |
CB | CG | CD | 112.6° | 109.5° |
CG | CB | HB2 | 108.4° | 109.5° |
CG | CB | HB3 | 108.4° | 109.4° |
CB | CG | HG2 | 108.7° | 109.5° |
CB | CG | HG3 | 108.7° | 109.5° |
CG | CD | CE | 110.3° | 109.5° |
CD | CG | HG2 | 108.7° | 109.5° |
CD | CG | HG3 | 108.7° | 109.5° |
CG | CD | HD2 | 109.3° | 109.5° |
CG | CD | HD3 | 109.2° | 109.5° |
CD | CE | NZ | 114.7° | 109.5° |
CE | CD | HD2 | 109.3° | 109.5° |
CE | CD | HD3 | 109.3° | 109.4° |
CD | CE | HE2 | 108.2° | 109.5° |
CD | CE | HE3 | 108.2° | 109.5° |
CE | NZ | CM | 110.7° | 111.0° |
CE | NZ | C4 | 114.3° | 111.0° |
NZ | CE | HE2 | 108.1° | 109.4° |
NZ | CE | HE3 | 108.1° | 109.5° |
CM | NZ | C4 | 113.3° | 111.0° |
NZ | CM | H15 | 109.5° | 109.4° |
NZ | CM | H16 | 109.5° | 109.5° |
NZ | CM | H17 | 109.5° | 109.5° |
NZ | C4 | C5 | 115.9° | 110.4° |
NZ | C4 | C3 | 113.8° | 110.4° |
NZ | C4 | H18 | 108.2° | 110.4° |
C5 | C4 | C3 | 102.7° | 104.7° |
C4 | C5 | C6 | 103.7° | 104.7° |
C5 | C4 | H18 | 107.9° | 110.4° |
C4 | C5 | H19 | 110.9° | 110.4° |
C4 | C5 | H20 | 110.9° | 110.4° |
C4 | C3 | C7 | 102.1° | 100.7° |
C4 | C3 | C2 | 107.6° | 104.5° |
C3 | C4 | H18 | 107.9° | 110.5° |
C4 | C3 | H26 | 114.8° | 115.9° |
C5 | C6 | C7 | 101.5° | 100.6° |
C5 | C6 | C1 | 108.3° | 104.5° |
C6 | C5 | H19 | 110.9° | 110.4° |
C6 | C5 | H20 | 110.9° | 110.4° |
C5 | C6 | H21 | 114.5° | 116.0° |
C7 | C3 | C2 | 101.2° | 100.7° |
C3 | C7 | C6 | 93.9° | 96.1° |
C3 | C7 | H24 | 113.2° | 112.1° |
C3 | C7 | H25 | 113.2° | 112.1° |
C7 | C3 | H26 | 114.8° | 116.2° |
C3 | C2 | C1 | 103.4° | 104.6° |
C2 | C3 | H26 | 114.8° | 116.5° |
C3 | C2 | H27 | 110.9° | 110.4° |
C3 | C2 | H28 | 111.0° | 110.4° |
C7 | C6 | C1 | 102.0° | 100.7° |
C7 | C6 | H21 | 114.6° | 116.9° |
C6 | C7 | H24 | 113.2° | 112.0° |
C6 | C7 | H25 | 113.2° | 112.0° |
C6 | C1 | C2 | 102.9° | 104.6° |
C1 | C6 | H21 | 114.6° | 115.9° |
C6 | C1 | H22 | 111.1° | 110.4° |
C6 | C1 | H23 | 111.1° | 110.4° |
C2 | C1 | H22 | 111.1° | 110.4° |
C2 | C1 | H23 | 111.1° | 110.5° |
C1 | C2 | H27 | 111.0° | 110.4° |
C1 | C2 | H28 | 111.0° | 110.4° |
HB2 | CB | HB3 | 109.5° | 109.4° |
H | N | H2 | 109.5° | 111.0° |
HG2 | CG | HG3 | 109.5° | 109.5° |
HD2 | CD | HD3 | 109.5° | 109.5° |
HE2 | CE | HE3 | 109.5° | 109.4° |
H15 | CM | H16 | 109.4° | 109.4° |
H15 | CM | H17 | 109.4° | 109.5° |
H16 | CM | H17 | 109.5° | 109.5° |
H19 | C5 | H20 | 109.5° | 110.4° |
H22 | C1 | H23 | 109.4° | 110.4° |
H24 | C7 | H25 | 109.5° | 111.7° |
H27 | C2 | H28 | 109.5° | 110.5° |
C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N | CA | C | CB | 122.7° | 120.0° |
N | CA | C | HA | 119.6° | 120.0° |
N | CA | CB | HA | 118.6° | 120.0° |
N | CA | C | O | 57.0° | 20.0° |
N | CA | CB | CG | 177.7° | 65.0° |
N | CA | CB | HB2 | 57.1° | 55.0° |
N | CA | CB | HB3 | 61.7° | 175.0° |
CA | N | H | H2 | 120.0° | 124.1° |
N | CA | C | OXT | 124.9° | 160.3° |
C | CA | CB | HA | 117.7° | 120.0° |
CA | C | O | OXT | 178.0° | 179.7° |
C | CA | CB | CG | 58.6° | 175.0° |
C | CA | CB | HB2 | 179.2° | 65.0° |
C | CA | CB | HB3 | 62.0° | 55.0° |
C | CA | N | H | 180.0° | 60.0° |
C | CA | N | H2 | 60.0° | 176.0° |
CA | C | OXT | HXT | 178.1° | 179.7° |
CB | CA | C | O | 65.7° | 100.0° |
CA | CB | CG | HB2 | 120.6° | 120.1° |
CA | CB | CG | HB3 | 120.6° | 120.0° |
CA | CB | CG | CD | 173.8° | 180.0° |
CA | CB | HB2 | HB3 | 118.1° | 120.0° |
CB | CA | N | H | 57.1° | 60.1° |
CB | CA | N | H2 | 177.1° | 64.0° |
CA | CB | CG | HG2 | 65.8° | 60.0° |
CA | CB | CG | HG3 | 53.3° | 60.0° |
CB | CA | C | OXT | 112.5° | 79.7° |
O | C | CA | HA | 176.6° | 140.0° |
O | C | OXT | HXT | 0.0° | 0.0° |
CB | CG | CD | HG2 | 120.4° | 120.0° |
CB | CG | CD | HG3 | 120.4° | 120.0° |
CB | CG | CD | CE | 179.6° | NaN° |
CG | CB | CA | HA | 59.1° | 55.0° |
CG | CB | HB2 | HB3 | 118.1° | 120.0° |
CB | CG | HG2 | HG3 | 118.6° | 120.0° |
CB | CG | CD | HD2 | 59.5° | 60.0° |
CB | CG | CD | HD3 | 60.2° | 60.0° |
CG | CD | CE | HD2 | 120.1° | 120.1° |
CG | CD | CE | HD3 | 120.1° | 120.0° |
CG | CD | CE | NZ | 174.0° | 180.0° |
CD | CG | CB | HB2 | 53.2° | 59.9° |
CD | CG | CB | HB3 | 65.6° | 60.0° |
CD | CG | HG2 | HG3 | 118.6° | 120.0° |
CG | CD | HD2 | HD3 | 119.6° | 120.0° |
CG | CD | CE | HE2 | 53.3° | 60.0° |
CG | CD | CE | HE3 | 65.3° | 60.0° |
CD | CE | NZ | HE2 | 120.8° | 120.0° |
CD | CE | NZ | HE3 | 120.8° | 120.0° |
CD | CE | NZ | CM | 59.9° | 66.0° |
CD | CE | NZ | C4 | 69.5° | 170.0° |
CE | CD | CG | HG2 | 59.9° | 60.0° |
CE | CD | CG | HG3 | 59.2° | 60.0° |
CE | CD | HD2 | HD3 | 119.6° | 120.0° |
CD | CE | HE2 | HE3 | 117.7° | 120.0° |
CE | NZ | CM | C4 | 129.9° | 124.0° |
CE | NZ | C4 | C5 | 57.6° | 61.4° |
CE | NZ | C4 | C3 | 176.4° | 176.7° |
NZ | CE | CD | HD2 | 65.9° | 60.0° |
NZ | CE | CD | HD3 | 53.9° | 60.0° |
NZ | CE | HE2 | HE3 | 117.6° | 120.0° |
CE | NZ | CM | H15 | 180.0° | 60.0° |
CE | NZ | CM | H16 | 60.0° | 180.0° |
CE | NZ | CM | H17 | 60.0° | 60.0° |
CE | NZ | C4 | H18 | 63.6° | 60.9° |
CM | NZ | C4 | C5 | 174.3° | 174.6° |
CM | NZ | C4 | C3 | 55.5° | 59.3° |
CM | NZ | CE | HE2 | 179.3° | 54.0° |
CM | NZ | CE | HE3 | 60.8° | 173.9° |
NZ | CM | H15 | H16 | 120.0° | 120.0° |
NZ | CM | H15 | H17 | 120.0° | 120.0° |
NZ | CM | H16 | H17 | 120.0° | 120.1° |
CM | NZ | C4 | H18 | 64.4° | 63.1° |
NZ | C4 | C5 | C3 | 124.7° | 118.8° |
NZ | C4 | C5 | H18 | 121.5° | 122.3° |
NZ | C4 | C3 | H18 | 120.1° | 122.4° |
NZ | C4 | C5 | C6 | 124.0° | 118.8° |
NZ | C4 | C3 | C7 | 160.6° | 152.6° |
NZ | C4 | C3 | C2 | 54.5° | 48.5° |
C4 | NZ | CE | HE2 | 51.3° | 70.0° |
C4 | NZ | CE | HE3 | 169.8° | 49.9° |
C4 | NZ | CM | H15 | 50.1° | 64.0° |
C4 | NZ | CM | H16 | 170.1° | 56.0° |
C4 | NZ | CM | H17 | 69.9° | 176.0° |
NZ | C4 | C5 | H19 | 117.0° | 122.4° |
NZ | C4 | C5 | H20 | 4.9° | 0.0° |
NZ | C4 | C3 | H26 | 74.6° | 81.1° |
C5 | C4 | C3 | H18 | 113.8° | 118.8° |
C4 | C5 | C6 | H19 | 119.1° | 118.8° |
C4 | C5 | C6 | H20 | 119.1° | 118.8° |
C5 | C4 | C3 | C7 | 34.5° | 33.8° |
C5 | C4 | C3 | C2 | 71.5° | 70.3° |
C4 | C5 | C6 | C7 | 36.0° | 33.8° |
C4 | C5 | C6 | C1 | 70.9° | 70.3° |
C4 | C5 | H19 | H20 | 122.7° | 122.4° |
C4 | C5 | C6 | H21 | 160.0° | 160.9° |
C5 | C4 | C3 | H26 | 159.4° | 160.0° |
C3 | C4 | C5 | C6 | 0.8° | 0.0° |
C4 | C3 | C7 | C2 | 111.0° | 107.1° |
C4 | C3 | C7 | H26 | 124.9° | 126.1° |
C4 | C3 | C2 | H26 | 129.1° | 129.3° |
C4 | C3 | C7 | C6 | 55.4° | 53.5° |
C4 | C3 | C2 | C1 | 71.5° | 70.3° |
C3 | C4 | C5 | H19 | 118.3° | 118.8° |
C3 | C4 | C5 | H20 | 119.9° | 118.8° |
C4 | C3 | C7 | H24 | 172.7° | 63.2° |
C4 | C3 | C7 | H25 | 61.9° | 170.3° |
C4 | C3 | C2 | H27 | 47.5° | 170.9° |
C4 | C3 | C2 | H28 | 169.4° | 48.5° |
C5 | C6 | C7 | C3 | 55.5° | 53.6° |
C5 | C6 | C7 | C1 | 111.7° | 107.1° |
C5 | C6 | C7 | H21 | 123.9° | 126.5° |
C5 | C6 | C1 | H21 | 129.1° | 128.9° |
C5 | C6 | C1 | C2 | 70.8° | 70.3° |
C6 | C5 | C4 | H18 | 114.6° | 118.9° |
C6 | C5 | H19 | H20 | 122.7° | 122.4° |
C5 | C6 | C1 | H22 | 170.2° | 171.0° |
C5 | C6 | C1 | H23 | 48.2° | 48.6° |
C5 | C6 | C7 | H24 | 172.8° | 63.2° |
C5 | C6 | C7 | H25 | 61.8° | 170.4° |
C7 | C3 | C2 | H26 | 124.2° | 126.6° |
C3 | C7 | C6 | H24 | 117.3° | 116.8° |
C3 | C7 | C6 | H25 | 117.3° | 116.8° |
C3 | C7 | C6 | C1 | 56.2° | 53.6° |
C7 | C3 | C2 | C1 | 35.2° | 33.8° |
C7 | C3 | C4 | H18 | 79.3° | 85.0° |
C3 | C7 | C6 | H21 | 179.4° | 179.9° |
C3 | C7 | H24 | H25 | 127.3° | 126.7° |
C7 | C3 | C2 | H27 | 154.2° | 85.0° |
C7 | C3 | C2 | H28 | 83.9° | 152.5° |
C2 | C3 | C7 | C6 | 55.6° | 53.6° |
C3 | C2 | C1 | C6 | 0.1° | 0.0° |
C3 | C2 | C1 | H27 | 119.0° | 118.8° |
C3 | C2 | C1 | H28 | 119.0° | 118.8° |
C2 | C3 | C4 | H18 | 174.7° | 170.9° |
C3 | C2 | C1 | H22 | 118.8° | 118.8° |
C3 | C2 | C1 | H23 | 119.1° | 118.8° |
C2 | C3 | C7 | H24 | 61.7° | 170.3° |
C2 | C3 | C7 | H25 | 172.9° | 63.2° |
C3 | C2 | H27 | H28 | 122.8° | 122.4° |
C7 | C6 | C1 | H21 | 124.4° | 127.0° |
C7 | C6 | C1 | C2 | 35.8° | 33.8° |
C7 | C6 | C5 | H19 | 83.1° | 85.1° |
C7 | C6 | C5 | H20 | 155.1° | 152.6° |
C7 | C6 | C1 | H22 | 83.2° | 85.0° |
C7 | C6 | C1 | H23 | 154.7° | 152.7° |
C6 | C7 | H24 | H25 | 127.3° | 126.6° |
C6 | C7 | C3 | H26 | 179.8° | 179.6° |
C6 | C1 | C2 | H22 | 119.0° | 118.8° |
C6 | C1 | C2 | H23 | 119.0° | 118.9° |
C1 | C6 | C5 | H19 | 170.0° | 170.9° |
C1 | C6 | C5 | H20 | 48.2° | 48.5° |
C6 | C1 | H22 | H23 | 123.1° | 122.4° |
C1 | C6 | C7 | H24 | 61.1° | 170.4° |
C1 | C6 | C7 | H25 | 173.6° | 63.2° |
C6 | C1 | C2 | H27 | 118.9° | 118.8° |
C6 | C1 | C2 | H28 | 119.2° | 118.8° |
C2 | C1 | C6 | H21 | 160.1° | 160.8° |
C2 | C1 | H22 | H23 | 123.1° | 122.4° |
C1 | C2 | C3 | H26 | 159.3° | 160.4° |
C1 | C2 | H27 | H28 | 122.8° | 122.4° |
HA | CA | CB | HB2 | 61.5° | 175.0° |
HA | CA | CB | HB3 | 179.7° | 65.0° |
HA | CA | N | H | 60.9° | 180.0° |
HA | CA | N | H2 | 59.1° | 56.0° |
HA | CA | C | OXT | 5.3° | 40.3° |
HB2 | CB | CG | HG2 | 173.6° | 179.9° |
HB2 | CB | CG | HG3 | 67.3° | 60.0° |
HB3 | CB | CG | HG2 | 54.8° | 60.0° |
HB3 | CB | CG | HG3 | 173.9° | 180.0° |
HG2 | CG | CD | HD2 | 180.0° | 180.0° |
HG2 | CG | CD | HD3 | 60.2° | 60.0° |
HG3 | CG | CD | HD2 | 60.9° | 60.0° |
HG3 | CG | CD | HD3 | 179.3° | 180.0° |
HD2 | CD | CE | HE2 | 173.4° | 179.9° |
HD2 | CD | CE | HE3 | 54.9° | 60.1° |
HD3 | CD | CE | HE2 | 66.9° | 60.0° |
HD3 | CD | CE | HE3 | 174.6° | 180.0° |
H15 | CM | H16 | H17 | 120.0° | 120.0° |
H18 | C4 | C5 | H19 | 4.5° | 0.1° |
H18 | C4 | C5 | H20 | 126.3° | 122.3° |
H18 | C4 | C3 | H26 | 45.5° | 41.2° |
H19 | C5 | C6 | H21 | 40.9° | 42.0° |
H20 | C5 | C6 | H21 | 80.9° | 80.3° |
H21 | C6 | C1 | H22 | 41.2° | 42.0° |
H21 | C6 | C1 | H23 | 80.9° | 80.3° |
H21 | C6 | C7 | H24 | 63.3° | 63.3° |
H21 | C6 | C7 | H25 | 62.1° | 63.1° |
H22 | C1 | C2 | H27 | 122.2° | 0.0° |
H22 | C1 | C2 | H28 | 0.2° | 122.4° |
H23 | C1 | C2 | H27 | 0.1° | 122.4° |
H23 | C1 | C2 | H28 | 121.9° | 0.1° |
H24 | C7 | C3 | H26 | 62.4° | 62.8° |
H25 | C7 | C3 | H26 | 62.9° | 63.6° |
H26 | C3 | C2 | H27 | 81.6° | 41.6° |
H26 | C3 | C2 | H28 | 40.3° | 80.8° |