5OM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C30 | O32 | sing | 1.43Å | 1.43Å | |
C30 | C31 | sing | 1.53Å | 1.42Å | |
C30 | C02 | sing | 1.53Å | 1.54Å | |
O01 | C02 | sing | 1.43Å | 1.40Å | |
O32 | C31 | sing | 1.43Å | 1.46Å | |
C02 | C03 | sing | 1.53Å | 1.54Å | |
C02 | O02 | sing | 1.43Å | 1.43Å | |
C03 | C04 | sing | 1.53Å | 1.53Å | |
C | O | doub | 1.21Å | 1.22Å | |
C | CA | sing | 1.51Å | 1.52Å | |
C04 | C05 | sing | 1.53Å | 1.55Å | |
C05 | C06 | sing | 1.53Å | 1.56Å | |
C06 | C07 | sing | 1.53Å | 1.55Å | |
C07 | CA | sing | 1.53Å | 1.53Å | |
CA | N | sing | 1.47Å | 1.42Å | |
C | OXT | sing | 1.34Å | 1.46Å | |
O01 | H1 | sing | 0.97Å | 0.95Å | |
C03 | H20 | sing | 1.09Å | 1.10Å | |
C03 | H3 | sing | 1.09Å | 1.10Å | |
C04 | H4 | sing | 1.09Å | 1.10Å | |
C04 | H5 | sing | 1.09Å | 1.10Å | |
C05 | H6 | sing | 1.09Å | 1.10Å | |
C05 | H7 | sing | 1.09Å | 1.10Å | |
C06 | H8 | sing | 1.09Å | 1.10Å | |
C06 | H9 | sing | 1.09Å | 1.10Å | |
C07 | H10 | sing | 1.09Å | 1.10Å | |
C07 | H11 | sing | 1.09Å | 1.10Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
O02 | H16 | sing | 0.97Å | 0.95Å | |
C30 | H17 | sing | 1.09Å | 1.10Å | |
C31 | H18 | sing | 1.09Å | 1.10Å | |
C31 | H19 | 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) |
O32 | C30 | C31 | 61.5° | 57.6° |
O32 | C30 | C02 | 112.2° | 117.7° |
C30 | O32 | C31 | 59.1° | 64.8° |
O32 | C30 | H17 | 120.0° | 117.8° |
C31 | C30 | C02 | 113.0° | 117.8° |
C30 | C31 | O32 | 59.4° | 57.6° |
C31 | C30 | H17 | 120.2° | 117.8° |
C30 | C31 | H18 | 120.1° | 117.7° |
C30 | C31 | H19 | 120.1° | 117.7° |
C30 | C02 | O01 | 106.2° | 109.5° |
C30 | C02 | C03 | 102.8° | 109.5° |
C30 | C02 | O02 | 115.1° | 109.5° |
C02 | C30 | H17 | 117.7° | 115.8° |
O01 | C02 | C03 | 111.9° | 109.5° |
O01 | C02 | O02 | 111.0° | 109.5° |
C02 | O01 | H1 | 109.5° | 114.0° |
O32 | C31 | H18 | 120.1° | 117.8° |
O32 | C31 | H19 | 120.1° | 117.8° |
C03 | C02 | O02 | 109.6° | 109.5° |
C02 | C03 | C04 | 112.9° | 109.5° |
C02 | C03 | H20 | 108.6° | 109.5° |
C02 | C03 | H3 | 108.6° | 109.5° |
C02 | O02 | H16 | 109.5° | 114.0° |
C03 | C04 | C05 | 110.2° | 109.5° |
C04 | C03 | H20 | 108.6° | 109.4° |
C04 | C03 | H3 | 108.6° | 109.5° |
C03 | C04 | H4 | 109.3° | 109.5° |
C03 | C04 | H5 | 109.3° | 109.5° |
O | C | CA | 118.0° | 120.0° |
O | C | OXT | 117.3° | 120.0° |
C | CA | C07 | 108.2° | 109.5° |
C | CA | N | 117.7° | 109.5° |
CA | C | OXT | 124.6° | 120.0° |
C | CA | HA | 107.7° | 109.5° |
C04 | C05 | C06 | 112.5° | 109.5° |
C05 | C04 | H4 | 109.3° | 109.4° |
C05 | C04 | H5 | 109.3° | 109.5° |
C04 | C05 | H6 | 108.7° | 109.4° |
C04 | C05 | H7 | 108.7° | 109.5° |
C05 | C06 | C07 | 109.4° | 109.5° |
C06 | C05 | H6 | 108.7° | 109.5° |
C06 | C05 | H7 | 108.7° | 109.5° |
C05 | C06 | H8 | 109.5° | 109.5° |
C05 | C06 | H9 | 109.5° | 109.5° |
C06 | C07 | CA | 112.2° | 109.5° |
C07 | C06 | H8 | 109.5° | 109.4° |
C07 | C06 | H9 | 109.5° | 109.5° |
C06 | C07 | H10 | 108.8° | 109.4° |
C06 | C07 | H11 | 108.8° | 109.5° |
C07 | CA | N | 106.4° | 109.5° |
CA | C07 | H10 | 108.8° | 109.5° |
CA | C07 | H11 | 108.8° | 109.5° |
C07 | CA | HA | 107.5° | 109.5° |
N | CA | HA | 108.9° | 109.5° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.0° |
C | OXT | HXT | 109.5° | 117.0° |
H20 | C03 | H3 | 109.5° | 109.5° |
H4 | C04 | H5 | 109.5° | 109.5° |
H6 | C05 | H7 | 109.5° | 109.5° |
H8 | C06 | H9 | 109.5° | 109.5° |
H10 | C07 | H11 | 109.5° | 109.5° |
H | N | H2 | 109.4° | 111.0° |
H18 | C31 | H19 | 109.5° | 115.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O32 | C30 | C31 | C02 | 103.7° | 106.8° |
O32 | C30 | C31 | H17 | 110.1° | 106.8° |
O32 | C30 | C02 | H17 | 145.6° | 146.9° |
O32 | C30 | C02 | O01 | 103.2° | 133.6° |
O32 | C30 | C02 | C03 | 139.1° | 106.4° |
O32 | C30 | C02 | O02 | 20.0° | 13.6° |
O32 | C30 | C31 | H18 | 109.3° | 106.9° |
O32 | C30 | C31 | H19 | 109.3° | 106.9° |
C31 | C30 | C02 | H17 | 147.1° | 147.1° |
C31 | C30 | C02 | O01 | 170.4° | 67.6° |
C31 | C30 | C02 | C03 | 71.9° | 172.4° |
C31 | C30 | C02 | O02 | 47.2° | 52.4° |
C30 | C31 | H18 | H19 | 145.1° | 146.8° |
C30 | C02 | O01 | C03 | 111.5° | 120.0° |
C30 | C02 | O01 | O02 | 125.7° | 120.0° |
C30 | C02 | C03 | O02 | 122.8° | 120.0° |
C30 | C02 | C03 | C04 | 177.5° | 180.0° |
C30 | C02 | O01 | H1 | 180.0° | 60.0° |
C30 | C02 | C03 | H20 | 57.0° | 60.0° |
C30 | C02 | C03 | H3 | 62.0° | 60.0° |
C30 | C02 | O02 | H16 | 180.0° | 60.0° |
C02 | C30 | C31 | H18 | 5.6° | 0.1° |
C02 | C30 | C31 | H19 | 147.0° | 146.3° |
O01 | C02 | C03 | O02 | 123.6° | 120.0° |
O01 | C02 | C03 | C04 | 63.9° | 60.0° |
O01 | C02 | C03 | H20 | 56.6° | 180.0° |
O01 | C02 | C03 | H3 | 175.6° | 60.0° |
O01 | C02 | O02 | H16 | 59.4° | 180.0° |
O01 | C02 | C30 | H17 | 42.4° | 79.4° |
O32 | C31 | H18 | H19 | 145.0° | 147.1° |
C02 | C03 | C04 | H20 | 120.5° | 120.0° |
C02 | C03 | C04 | H3 | 120.5° | 120.0° |
C02 | C03 | C04 | C05 | 178.3° | 180.0° |
C03 | C02 | O01 | H1 | 68.5° | 60.0° |
C02 | C03 | H20 | H3 | 118.4° | 120.0° |
C02 | C03 | C04 | H4 | 61.6° | 60.0° |
C02 | C03 | C04 | H5 | 58.2° | 60.0° |
C03 | C02 | O02 | H16 | 64.8° | 60.1° |
C03 | C02 | C30 | H17 | 75.3° | 40.5° |
O02 | C02 | C03 | C04 | 59.6° | 60.0° |
O02 | C02 | O01 | H1 | 54.2° | 179.9° |
O02 | C02 | C03 | H20 | 179.8° | 60.0° |
O02 | C02 | C03 | H3 | 60.9° | 180.0° |
O02 | C02 | C30 | H17 | 165.6° | 160.6° |
C03 | C04 | C05 | H4 | 120.1° | 120.0° |
C03 | C04 | C05 | H5 | 120.1° | 120.0° |
C03 | C04 | C05 | C06 | 162.0° | 180.0° |
C04 | C03 | H20 | H3 | 118.4° | 120.0° |
C03 | C04 | H4 | H5 | 119.6° | 120.0° |
C03 | C04 | C05 | H6 | 41.5° | 60.0° |
C03 | C04 | C05 | H7 | 77.5° | 60.0° |
O | C | CA | OXT | 178.2° | 179.9° |
O | C | CA | C07 | 98.0° | 100.0° |
O | C | CA | N | 141.5° | 20.0° |
O | C | CA | HA | 18.0° | 140.0° |
O | C | OXT | HXT | 0.0° | 0.1° |
C | CA | C07 | C06 | 66.0° | 175.0° |
C | CA | C07 | N | 127.4° | 120.0° |
C | CA | C07 | HA | 116.1° | 120.0° |
C | CA | N | HA | 122.8° | 120.0° |
C | CA | C07 | H10 | 54.4° | 55.0° |
C | CA | C07 | H11 | 173.6° | 65.0° |
C | CA | N | H | 180.0° | 63.9° |
C | CA | N | H2 | 60.0° | 60.0° |
CA | C | OXT | HXT | 178.2° | 180.0° |
C04 | C05 | C06 | H6 | 120.5° | 120.0° |
C04 | C05 | C06 | H7 | 120.5° | 120.0° |
C04 | C05 | C06 | C07 | 175.1° | 180.0° |
C05 | C04 | C03 | H20 | 57.8° | 60.0° |
C05 | C04 | C03 | H3 | 61.2° | 60.0° |
C05 | C04 | H4 | H5 | 119.7° | 120.0° |
C04 | C05 | H6 | H7 | 118.6° | 120.0° |
C04 | C05 | C06 | H8 | 55.1° | 60.0° |
C04 | C05 | C06 | H9 | 64.9° | 60.0° |
C05 | C06 | C07 | H8 | 120.0° | 120.0° |
C05 | C06 | C07 | H9 | 120.0° | 120.0° |
C05 | C06 | C07 | CA | 177.7° | 180.0° |
C06 | C05 | C04 | H4 | 77.9° | 60.0° |
C06 | C05 | C04 | H5 | 41.9° | 60.0° |
C06 | C05 | H6 | H7 | 118.6° | 120.0° |
C05 | C06 | H8 | H9 | 120.0° | 120.0° |
C05 | C06 | C07 | H10 | 61.9° | 60.0° |
C05 | C06 | C07 | H11 | 57.3° | 60.0° |
C06 | C07 | CA | H10 | 120.4° | 120.0° |
C06 | C07 | CA | H11 | 120.4° | 120.0° |
C06 | C07 | CA | N | 166.6° | 65.0° |
C07 | C06 | C05 | H6 | 64.4° | 60.0° |
C07 | C06 | C05 | H7 | 54.6° | 60.0° |
C07 | C06 | H8 | H9 | 120.1° | 120.0° |
C06 | C07 | H10 | H11 | 118.7° | 120.0° |
C06 | C07 | CA | HA | 50.0° | 55.0° |
C07 | CA | N | HA | 115.7° | 120.0° |
C07 | CA | C | OXT | 80.2° | 80.1° |
CA | C07 | C06 | H8 | 57.7° | 60.0° |
CA | C07 | C06 | H9 | 62.3° | 60.0° |
CA | C07 | H10 | H11 | 118.8° | 120.0° |
C07 | CA | N | H | 58.5° | 176.1° |
C07 | CA | N | H2 | 178.5° | 60.0° |
N | CA | C | OXT | 40.3° | 159.9° |
N | CA | C07 | H10 | 73.0° | 175.0° |
N | CA | C07 | H11 | 46.2° | 55.0° |
CA | N | H | H2 | 120.0° | 123.9° |
OXT | C | CA | HA | 163.8° | 39.9° |
H20 | C03 | C04 | H4 | 177.9° | 180.0° |
H20 | C03 | C04 | H5 | 62.3° | 60.0° |
H3 | C03 | C04 | H4 | 58.9° | 60.0° |
H3 | C03 | C04 | H5 | 178.7° | 180.0° |
H4 | C04 | C05 | H6 | 161.6° | 180.0° |
H4 | C04 | C05 | H7 | 42.6° | 60.0° |
H5 | C04 | C05 | H6 | 78.6° | 60.0° |
H5 | C04 | C05 | H7 | 162.4° | 180.0° |
H6 | C05 | C06 | H8 | 175.6° | 180.0° |
H6 | C05 | C06 | H9 | 55.6° | 60.0° |
H7 | C05 | C06 | H8 | 65.4° | 60.0° |
H7 | C05 | C06 | H9 | 174.6° | 180.0° |
H8 | C06 | C07 | H10 | 178.1° | 180.0° |
H8 | C06 | C07 | H11 | 62.7° | 60.0° |
H9 | C06 | C07 | H10 | 58.1° | 60.0° |
H9 | C06 | C07 | H11 | 177.2° | 180.0° |
H10 | C07 | CA | HA | 170.5° | 65.0° |
H11 | C07 | CA | HA | 70.4° | 175.0° |
HA | CA | N | H | 57.1° | 56.1° |
HA | CA | N | H2 | 62.8° | 180.0° |
H17 | C30 | C31 | H18 | 140.6° | 146.3° |
H17 | C30 | C31 | H19 | 0.8° | 0.1° |