8SN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C22 | C23 | sing | 1.55Å | 1.48Å | |
C22 | N | sing | 1.48Å | 1.54Å | |
C23 | C8 | sing | 1.54Å | 1.52Å | |
N | CA | sing | 1.46Å | 1.50Å | |
C8 | CA | sing | 1.52Å | 1.52Å | |
C8 | C7 | sing | 1.47Å | 1.40Å | |
CA | C25 | sing | 1.46Å | 1.43Å | |
C7 | C6 | doub | 1.26Å | 1.39Å | |
O7 | C25 | doub | 1.21Å | 1.25Å | |
C25 | N1 | sing | 1.33Å | 1.32Å | |
C6 | C5 | sing | 1.48Å | 1.42Å | |
N1 | C5 | sing | 1.46Å | 1.48Å | |
N1 | C2 | sing | 1.48Å | 1.53Å | |
C5 | C4 | sing | 1.55Å | 1.55Å | |
O | C | doub | 1.21Å | 1.23Å | |
C2 | C | sing | 1.51Å | 1.43Å | |
C2 | C3 | sing | 1.54Å | 1.51Å | |
C | OXT | sing | 1.34Å | 1.26Å | |
C4 | C3 | sing | 1.54Å | 1.49Å | |
C4 | C47 | sing | 1.53Å | 1.53Å | |
N | H | sing | 1.01Å | 1.00Å | |
C22 | H96 | sing | 1.09Å | 1.10Å | |
C22 | H97 | sing | 1.09Å | 1.10Å | |
C23 | H23 | sing | 1.09Å | 1.10Å | |
C23 | H95 | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C4 | H41 | sing | 1.09Å | 1.10Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C2 | H22 | sing | 1.09Å | 1.10Å | |
C47 | H47 | sing | 1.09Å | 1.10Å | |
C47 | H93 | sing | 1.09Å | 1.10Å | |
C47 | H94 | sing | 1.09Å | 1.10Å | |
OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C23 | C22 | N | 103.5° | 107.1° |
C22 | C23 | C8 | 97.6° | 102.4° |
C23 | C22 | H96 | 110.9° | 109.9° |
C23 | C22 | H97 | 111.0° | 109.9° |
C22 | C23 | H23 | 112.3° | 110.9° |
C22 | C23 | H95 | 112.4° | 110.8° |
C22 | N | CA | 104.9° | 107.4° |
C22 | N | H | 110.6° | 111.0° |
N | C22 | H96 | 110.9° | 110.0° |
N | C22 | H97 | 110.9° | 109.9° |
C23 | C8 | CA | 102.0° | 101.9° |
C23 | C8 | C7 | 111.6° | 114.9° |
C8 | C23 | H23 | 112.3° | 110.8° |
C8 | C23 | H95 | 112.4° | 110.8° |
C23 | C8 | H8 | 110.3° | 108.9° |
N | CA | C8 | 103.6° | 105.8° |
N | CA | C25 | 115.9° | 117.6° |
CA | N | H | 110.6° | 111.0° |
N | CA | HA | 109.8° | 106.1° |
CA | C8 | C7 | 110.3° | 113.6° |
C8 | CA | C25 | 107.1° | 114.8° |
CA | C8 | H8 | 110.3° | 109.0° |
C8 | CA | HA | 109.4° | 105.9° |
C8 | C7 | C6 | 127.5° | 130.5° |
C7 | C8 | H8 | 112.0° | 108.3° |
C8 | C7 | H7 | 116.2° | 114.8° |
CA | C25 | O7 | 123.1° | 116.0° |
CA | C25 | N1 | 122.4° | 128.1° |
C25 | CA | HA | 110.7° | 105.7° |
C7 | C6 | C5 | 128.7° | 133.4° |
C6 | C7 | H7 | 116.3° | 114.8° |
C7 | C6 | H6 | 115.7° | 113.3° |
O7 | C25 | N1 | 114.1° | 115.9° |
C25 | N1 | C5 | 120.9° | 129.8° |
C25 | N1 | C2 | 127.6° | 122.8° |
C6 | C5 | N1 | 117.1° | 116.6° |
C6 | C5 | C4 | 109.9° | 108.1° |
C5 | C6 | H6 | 115.6° | 113.3° |
C6 | C5 | H5 | 110.0° | 109.1° |
C5 | N1 | C2 | 111.0° | 107.4° |
N1 | C5 | C4 | 101.6° | 105.3° |
N1 | C5 | H5 | 109.3° | 108.4° |
N1 | C2 | C | 113.9° | 109.8° |
N1 | C2 | C3 | 100.1° | 108.0° |
N1 | C2 | H22 | 108.3° | 109.7° |
C5 | C4 | C3 | 101.7° | 103.7° |
C5 | C4 | C47 | 110.9° | 110.6° |
C4 | C5 | H5 | 108.4° | 109.0° |
C5 | C4 | H41 | 110.6° | 110.6° |
O | C | C2 | 120.7° | 120.0° |
O | C | OXT | 122.9° | 120.0° |
C | C2 | C3 | 116.0° | 109.8° |
C2 | C | OXT | 116.1° | 120.0° |
C | C2 | H22 | 109.5° | 109.7° |
C2 | C3 | C4 | 103.9° | 105.0° |
C2 | C3 | H32 | 110.8° | 110.3° |
C2 | C3 | H31 | 110.8° | 110.4° |
C3 | C2 | H22 | 108.5° | 109.8° |
C | OXT | HXT | 109.5° | 117.1° |
C3 | C4 | C47 | 111.1° | 110.5° |
C3 | C4 | H41 | 111.4° | 110.6° |
C4 | C3 | H32 | 110.9° | 110.4° |
C4 | C3 | H31 | 110.8° | 110.3° |
C47 | C4 | H41 | 110.8° | 110.6° |
C4 | C47 | H47 | 109.5° | 109.4° |
C4 | C47 | H93 | 109.5° | 109.5° |
C4 | C47 | H94 | 109.5° | 109.5° |
H96 | C22 | H97 | 109.5° | 110.0° |
H23 | C23 | H95 | 109.5° | 110.8° |
H32 | C3 | H31 | 109.5° | 110.3° |
H47 | C47 | H93 | 109.4° | 109.5° |
H47 | C47 | H94 | 109.4° | 109.5° |
H93 | C47 | H94 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C23 | C22 | N | H96 | 119.0° | 119.4° |
C23 | C22 | N | H97 | 119.1° | 119.3° |
C22 | C23 | C8 | H23 | 118.0° | 118.3° |
C22 | C23 | C8 | H95 | 118.0° | 118.2° |
C23 | C22 | N | CA | 26.7° | 2.2° |
C22 | C23 | C8 | CA | 51.8° | 35.9° |
C22 | C23 | C8 | C7 | 169.5° | 159.2° |
C23 | C22 | N | H | 146.0° | 119.4° |
C23 | C22 | H96 | H97 | 122.8° | 121.1° |
C22 | C23 | H23 | H95 | 125.6° | 123.5° |
C22 | C23 | C8 | H8 | 65.3° | 79.1° |
N | C22 | C23 | C8 | 47.7° | 21.5° |
C22 | N | CA | H | 119.3° | 121.6° |
C22 | N | CA | C8 | 6.2° | 25.8° |
C22 | N | CA | C25 | 123.1° | 155.5° |
N | C22 | H96 | H97 | 122.7° | 121.2° |
N | C22 | C23 | H23 | 70.3° | 96.7° |
N | C22 | C23 | H95 | 165.7° | 139.7° |
C22 | N | CA | HA | 110.6° | 86.4° |
C23 | C8 | CA | N | 35.8° | 38.8° |
C23 | C8 | CA | C7 | 118.6° | 124.2° |
C23 | C8 | CA | H8 | 117.1° | 115.0° |
C23 | C8 | C7 | H8 | 124.2° | 122.1° |
C23 | C8 | CA | C25 | 158.8° | 170.2° |
C23 | C8 | C7 | C6 | 143.5° | 156.4° |
C8 | C23 | C22 | H96 | 71.4° | 141.0° |
C8 | C23 | C22 | H97 | 166.7° | 97.8° |
C8 | C23 | H23 | H95 | 125.6° | 123.5° |
C23 | C8 | CA | HA | 81.2° | 73.5° |
C23 | C8 | C7 | H7 | 36.5° | 23.6° |
N | CA | C8 | C25 | 123.0° | 131.4° |
N | CA | C8 | HA | 117.0° | 112.4° |
N | CA | C8 | C7 | 154.4° | 163.0° |
N | CA | C25 | HA | 125.8° | 118.2° |
N | CA | C25 | O7 | 11.3° | 17.0° |
N | CA | C25 | N1 | 175.9° | 163.1° |
CA | N | C22 | H96 | 92.4° | 117.2° |
CA | N | C22 | H97 | 145.7° | 121.6° |
N | CA | C8 | H8 | 81.3° | 76.2° |
CA | C8 | C7 | H8 | 123.2° | 121.2° |
C8 | CA | C25 | HA | 119.2° | 116.4° |
CA | C8 | C7 | C6 | 30.9° | 39.6° |
C8 | CA | C25 | O7 | 103.7° | 142.4° |
C8 | CA | C25 | N1 | 69.1° | 37.6° |
C8 | CA | N | H | 113.1° | 95.8° |
CA | C8 | C23 | H23 | 66.2° | 82.3° |
CA | C8 | C23 | H95 | 169.9° | 154.1° |
CA | C8 | C7 | H7 | 149.1° | 140.3° |
C7 | C8 | CA | C25 | 82.6° | 65.6° |
C8 | C7 | C6 | H7 | 180.0° | 180.0° |
C8 | C7 | C6 | C5 | 1.5° | 2.2° |
C7 | C8 | C23 | H23 | 51.5° | 40.9° |
C7 | C8 | C23 | H95 | 72.4° | 82.6° |
C7 | C8 | CA | HA | 37.5° | 50.6° |
C8 | C7 | C6 | H6 | 178.5° | 177.8° |
CA | C25 | O7 | N1 | 173.4° | 180.0° |
CA | C25 | N1 | C5 | 9.5° | 20.4° |
CA | C25 | N1 | C2 | 179.9° | 163.3° |
C25 | CA | N | H | 3.9° | 33.9° |
C25 | CA | C8 | H8 | 41.6° | 55.2° |
C7 | C6 | C5 | H6 | 180.0° | 179.9° |
C7 | C6 | C5 | N1 | 25.7° | 0.5° |
C7 | C6 | C5 | C4 | 140.9° | 117.8° |
C6 | C7 | C8 | H8 | 92.3° | 81.6° |
C7 | C6 | C5 | H5 | 99.8° | 123.7° |
O7 | C25 | N1 | C5 | 177.1° | 159.6° |
O7 | C25 | N1 | C2 | 6.7° | 16.8° |
O7 | C25 | CA | HA | 137.1° | 101.2° |
C25 | N1 | C5 | C6 | 55.6° | 32.4° |
C25 | N1 | C5 | C2 | 171.8° | 176.8° |
C25 | N1 | C5 | C4 | 175.3° | 152.3° |
C25 | N1 | C2 | C | 79.3° | 45.5° |
C25 | N1 | C2 | C3 | 156.3° | 165.2° |
N1 | C25 | CA | HA | 50.1° | 78.7° |
C25 | N1 | C5 | H5 | 70.3° | 91.2° |
C25 | N1 | C2 | H22 | 42.8° | 75.2° |
C6 | C5 | N1 | C4 | 119.7° | 119.9° |
C6 | C5 | N1 | H5 | 125.9° | 123.6° |
C6 | C5 | N1 | C2 | 132.5° | 150.8° |
C6 | C5 | C4 | H5 | 120.3° | 118.5° |
C6 | C5 | C4 | C3 | 160.8° | 157.3° |
C6 | C5 | C4 | C47 | 80.9° | 84.2° |
C5 | C6 | C7 | H7 | 178.5° | 177.8° |
C6 | C5 | C4 | H41 | 42.3° | 38.7° |
N1 | C5 | C4 | H5 | 115.1° | 116.2° |
C5 | N1 | C2 | C | 109.6° | 137.5° |
C5 | N1 | C2 | C3 | 14.9° | 17.8° |
N1 | C5 | C4 | C3 | 36.2° | 31.9° |
N1 | C5 | C4 | C47 | 154.4° | 150.4° |
N1 | C5 | C6 | H6 | 154.2° | 179.5° |
N1 | C5 | C4 | H41 | 82.3° | 86.7° |
C5 | N1 | C2 | H22 | 128.4° | 101.8° |
C2 | N1 | C5 | C4 | 12.9° | 31.0° |
N1 | C2 | C | O | 25.2° | 0.0° |
N1 | C2 | C | C3 | 115.5° | 118.6° |
N1 | C2 | C | H22 | 121.4° | 120.7° |
N1 | C2 | C3 | H22 | 113.3° | 119.6° |
N1 | C2 | C | OXT | 148.4° | 180.0° |
N1 | C2 | C3 | C4 | 38.2° | 2.7° |
C2 | N1 | C5 | H5 | 101.6° | 85.6° |
N1 | C2 | C3 | H32 | 157.3° | 116.3° |
N1 | C2 | C3 | H31 | 80.9° | 121.6° |
C5 | C4 | C3 | C2 | 47.5° | 20.6° |
C5 | C4 | C3 | C47 | 118.1° | 118.5° |
C5 | C4 | C3 | H41 | 117.9° | 118.6° |
C5 | C4 | C47 | H41 | 123.2° | 122.9° |
C4 | C5 | C6 | H6 | 39.1° | 62.1° |
C5 | C4 | C3 | H32 | 166.6° | 98.3° |
C5 | C4 | C3 | H31 | 71.6° | 139.6° |
C5 | C4 | C47 | H47 | 180.0° | 60.0° |
C5 | C4 | C47 | H93 | 60.0° | 180.0° |
C5 | C4 | C47 | H94 | 60.0° | 60.0° |
O | C | C2 | OXT | 173.6° | 180.0° |
O | C | C2 | C3 | 90.3° | 118.6° |
O | C | C2 | H22 | 146.6° | 120.7° |
O | C | OXT | HXT | 0.0° | 0.0° |
C | C2 | C3 | H22 | 123.7° | 120.7° |
C | C2 | C3 | C4 | 84.9° | 117.0° |
C | C2 | C3 | H32 | 34.3° | 124.0° |
C | C2 | C3 | H31 | 156.0° | 1.9° |
C2 | C | OXT | HXT | 173.4° | 180.0° |
C3 | C2 | C | OXT | 96.1° | 61.4° |
C2 | C3 | C4 | H32 | 119.1° | 118.9° |
C2 | C3 | C4 | H31 | 119.1° | 118.9° |
C2 | C3 | C4 | C47 | 165.6° | 139.2° |
C2 | C3 | C4 | H41 | 70.3° | 97.9° |
C2 | C3 | H32 | H31 | 122.5° | 122.2° |
OXT | C | C2 | H22 | 27.0° | 59.3° |
C3 | C4 | C47 | H41 | 124.4° | 122.9° |
C3 | C4 | C5 | H5 | 78.9° | 84.2° |
C4 | C3 | H32 | H31 | 122.6° | 122.2° |
C4 | C3 | C2 | H22 | 151.5° | 122.3° |
C3 | C4 | C47 | H47 | 67.6° | 174.3° |
C3 | C4 | C47 | H93 | 52.4° | 65.7° |
C3 | C4 | C47 | H94 | 172.4° | 54.3° |
C47 | C4 | C5 | H5 | 39.4° | 34.3° |
C47 | C4 | C3 | H32 | 75.3° | 20.3° |
C47 | C4 | C3 | H31 | 46.5° | 101.9° |
C4 | C47 | H47 | H93 | 120.0° | 120.0° |
C4 | C47 | H47 | H94 | 120.0° | 120.0° |
C4 | C47 | H93 | H94 | 120.0° | 120.0° |
H | N | C22 | H96 | 26.9° | 121.2° |
H | N | C22 | H97 | 95.0° | 0.0° |
H | N | CA | HA | 130.1° | 152.0° |
H96 | C22 | C23 | H23 | 170.7° | 22.7° |
H96 | C22 | C23 | H95 | 46.7° | 100.8° |
H97 | C22 | C23 | H23 | 48.7° | 143.9° |
H97 | C22 | C23 | H95 | 75.3° | 20.4° |
H23 | C23 | C8 | H8 | 176.7° | 162.6° |
H95 | C23 | C8 | H8 | 52.7° | 39.1° |
H8 | C8 | CA | HA | 161.7° | 171.4° |
H8 | C8 | C7 | H7 | 87.7° | 98.5° |
H7 | C7 | C6 | H6 | 1.5° | 2.1° |
H6 | C6 | C5 | H5 | 80.2° | 56.3° |
H5 | C5 | C4 | H41 | 162.6° | 157.2° |
H41 | C4 | C3 | H32 | 48.7° | 143.1° |
H41 | C4 | C3 | H31 | 170.6° | 21.0° |
H41 | C4 | C47 | H47 | 56.8° | 62.8° |
H41 | C4 | C47 | H93 | 176.8° | 57.2° |
H41 | C4 | C47 | H94 | 63.2° | 177.2° |
H32 | C3 | C2 | H22 | 89.4° | 3.3° |
H31 | C3 | C2 | H22 | 32.4° | 118.8° |
H47 | C47 | H93 | H94 | 120.0° | 120.0° |