4CG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C12 | C11 | sing | 1.55Å | 1.53Å | |
C12 | C13 | sing | 1.55Å | 1.54Å | |
C11 | C10 | sing | 1.52Å | 1.53Å | |
C13 | C14 | sing | 1.54Å | 1.54Å | |
C10 | C14 | sing | 1.51Å | 1.51Å | |
C10 | C09 | doub | 1.31Å | 1.35Å | |
C14 | C | sing | 1.51Å | 1.51Å | |
C | O | doub | 1.21Å | 1.22Å | |
C09 | CA | sing | 1.51Å | 1.52Å | |
CA | C03 | sing | 1.53Å | 1.54Å | |
CA | N | sing | 1.47Å | 1.49Å | |
C03 | O04 | sing | 1.43Å | 1.44Å | |
O06 | P05 | doub | 1.48Å | 1.52Å | |
O04 | P05 | sing | 1.61Å | 1.64Å | |
P05 | O07 | sing | 1.61Å | 1.52Å | |
P05 | O08 | sing | 1.61Å | 1.53Å | |
C13 | H1 | sing | 1.09Å | 1.10Å | |
C13 | H3 | sing | 1.09Å | 1.10Å | |
C14 | H4 | sing | 1.09Å | 1.10Å | |
C12 | H5 | sing | 1.09Å | 1.10Å | |
C12 | H6 | sing | 1.09Å | 1.10Å | |
C11 | H7 | sing | 1.09Å | 1.10Å | |
C11 | H8 | sing | 1.09Å | 1.10Å | |
C09 | H9 | sing | 1.08Å | 1.08Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
N | H | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
C03 | H14 | sing | 1.09Å | 1.10Å | |
C03 | H15 | sing | 1.09Å | 1.10Å | |
O07 | H16 | sing | 0.97Å | 0.95Å | |
O08 | H17 | sing | 0.97Å | 0.95Å | |
C | OXT | sing | 1.34Å | 150.22Å | |
OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C11 | C12 | C13 | 106.9° | 102.2° |
C12 | C11 | C10 | 104.8° | 104.4° |
C11 | C12 | H5 | 110.1° | 110.8° |
C11 | C12 | H6 | 110.1° | 110.8° |
C12 | C11 | H7 | 110.6° | 110.5° |
C12 | C11 | H8 | 110.6° | 110.4° |
C12 | C13 | C14 | 110.2° | 103.6° |
C12 | C13 | H1 | 109.3° | 110.9° |
C12 | C13 | H3 | 109.3° | 110.4° |
C13 | C12 | H5 | 110.1° | 110.7° |
C13 | C12 | H6 | 110.1° | 111.0° |
C11 | C10 | C14 | 113.5° | 107.3° |
C11 | C10 | C09 | 120.7° | 126.4° |
C10 | C11 | H7 | 110.6° | 110.2° |
C10 | C11 | H8 | 110.6° | 110.6° |
C13 | C14 | C10 | 103.2° | 106.9° |
C13 | C14 | C | 112.8° | 110.0° |
C14 | C13 | H1 | 109.3° | 110.6° |
C14 | C13 | H3 | 109.3° | 110.6° |
C13 | C14 | H4 | 108.7° | 110.0° |
C14 | C10 | C09 | 125.8° | 126.4° |
C10 | C14 | C | 113.9° | 109.9° |
C10 | C14 | H4 | 109.1° | 110.0° |
C10 | C09 | CA | 125.4° | 120.0° |
C10 | C09 | H9 | 117.3° | 120.0° |
C14 | C | O | 119.0° | 120.1° |
C | C14 | H4 | 108.9° | 110.0° |
C14 | C | OXT | 30.8° | 120.0° |
O | C | OXT | 96.4° | 120.0° |
C09 | CA | C03 | 106.3° | 109.5° |
C09 | CA | N | 107.7° | 109.5° |
CA | C09 | H9 | 117.3° | 120.0° |
C09 | CA | HA | 108.6° | 109.5° |
C03 | CA | N | 116.7° | 109.4° |
CA | C03 | O04 | 116.1° | 109.5° |
C03 | CA | HA | 108.4° | 109.5° |
CA | C03 | H14 | 107.8° | 109.5° |
CA | C03 | H15 | 107.8° | 109.4° |
N | CA | HA | 109.0° | 109.4° |
CA | N | H | 109.5° | 111.0° |
CA | N | H2 | 109.5° | 111.0° |
C03 | O04 | P05 | 122.4° | 123.0° |
O04 | C03 | H14 | 107.8° | 109.5° |
O04 | C03 | H15 | 107.8° | 109.5° |
O06 | P05 | O04 | 110.0° | 109.5° |
O06 | P05 | O07 | 111.6° | 109.4° |
O06 | P05 | O08 | 112.0° | 109.5° |
O04 | P05 | O07 | 102.7° | 109.5° |
O04 | P05 | O08 | 102.7° | 109.5° |
O07 | P05 | O08 | 116.8° | 109.4° |
P05 | O07 | H16 | 109.5° | 114.0° |
P05 | O08 | H17 | 109.5° | 114.0° |
H1 | C13 | H3 | 109.5° | 110.5° |
H5 | C12 | H6 | 109.5° | 110.9° |
H7 | C11 | H8 | 109.5° | 110.5° |
H | N | H2 | 109.4° | 111.0° |
H14 | C03 | H15 | 109.5° | 109.4° |
C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C11 | C12 | C13 | H5 | 119.6° | 118.1° |
C11 | C12 | C13 | H6 | 119.6° | 118.2° |
C12 | C11 | C10 | H7 | 119.3° | 118.7° |
C12 | C11 | C10 | H8 | 119.2° | 118.8° |
C11 | C12 | C13 | C14 | 12.0° | 37.4° |
C12 | C11 | C10 | C14 | 5.4° | 23.7° |
C12 | C11 | C10 | C09 | 173.9° | 155.9° |
C11 | C12 | C13 | H1 | 132.1° | 81.3° |
C11 | C12 | C13 | H3 | 108.1° | 155.9° |
C11 | C12 | H5 | H6 | 121.2° | 123.5° |
C12 | C11 | H7 | H8 | 122.1° | 122.5° |
C13 | C12 | C11 | C10 | 10.2° | 37.8° |
C12 | C13 | C14 | H1 | 120.1° | 118.9° |
C12 | C13 | C14 | H3 | 120.1° | 118.4° |
C12 | C13 | C14 | C10 | 8.4° | 23.5° |
C12 | C13 | C14 | C | 131.8° | 142.8° |
C12 | C13 | H1 | H3 | 119.7° | 122.9° |
C12 | C13 | C14 | H4 | 107.3° | 95.9° |
C13 | C12 | H5 | H6 | 121.2° | 123.7° |
C13 | C12 | C11 | H7 | 109.1° | 156.3° |
C13 | C12 | C11 | H8 | 129.5° | 81.1° |
C11 | C10 | C14 | C13 | 1.8° | 0.1° |
C11 | C10 | C14 | C09 | 179.2° | 179.6° |
C11 | C10 | C14 | C | 124.4° | 119.3° |
C11 | C10 | C09 | CA | 178.7° | 175.8° |
C11 | C10 | C14 | H4 | 113.6° | 119.5° |
C10 | C11 | C12 | H5 | 109.4° | 155.9° |
C10 | C11 | C12 | H6 | 129.8° | 80.6° |
C10 | C11 | H7 | H8 | 122.1° | 122.5° |
C11 | C10 | C09 | H9 | 1.3° | 4.3° |
C13 | C14 | C10 | C | 122.6° | 119.3° |
C13 | C14 | C10 | H4 | 115.4° | 119.4° |
C13 | C14 | C10 | C09 | 179.0° | 179.6° |
C13 | C14 | C | H4 | 120.7° | 121.3° |
C13 | C14 | C | O | 148.0° | 82.7° |
C14 | C13 | H1 | H3 | 119.7° | 122.8° |
C14 | C13 | C12 | H5 | 107.6° | 155.5° |
C14 | C13 | C12 | H6 | 131.6° | 80.8° |
C13 | C14 | C | OXT | 100.9° | 97.2° |
C10 | C14 | C | H4 | 122.1° | 121.2° |
C10 | C14 | C | O | 94.9° | 34.7° |
C14 | C10 | C09 | CA | 0.5° | 3.7° |
C10 | C14 | C13 | H1 | 128.5° | 95.4° |
C10 | C14 | C13 | H3 | 111.7° | 141.9° |
C14 | C10 | C11 | H7 | 113.9° | 142.4° |
C14 | C10 | C11 | H8 | 124.6° | 95.1° |
C14 | C10 | C09 | H9 | 179.5° | 176.2° |
C10 | C14 | C | OXT | 142.0° | 145.4° |
C09 | C10 | C14 | C | 56.4° | 61.1° |
C10 | C09 | CA | H9 | 180.0° | 179.9° |
C10 | C09 | CA | C03 | 84.3° | 120.1° |
C10 | C09 | CA | N | 150.0° | 119.9° |
C09 | C10 | C14 | H4 | 65.6° | 60.1° |
C09 | C10 | C11 | H7 | 66.9° | 37.2° |
C09 | C10 | C11 | H8 | 54.6° | 85.3° |
C10 | C09 | CA | HA | 32.2° | 0.0° |
C14 | C | O | OXT | 22.2° | 179.9° |
C | C14 | C13 | H1 | 108.1° | 23.9° |
C | C14 | C13 | H3 | 11.6° | 98.8° |
C14 | C | OXT | HXT | 90.0° | 180.0° |
O | C | C14 | H4 | 27.2° | 155.9° |
O | C | OXT | HXT | 90.0° | 0.0° |
C09 | CA | C03 | N | 120.0° | 120.0° |
C09 | CA | C03 | HA | 116.6° | 120.1° |
C09 | CA | N | HA | 117.6° | 120.0° |
C09 | CA | C03 | O04 | 152.1° | 175.0° |
C09 | CA | N | H | 180.0° | 65.5° |
C09 | CA | N | H2 | 60.0° | 170.5° |
C09 | CA | C03 | H14 | 31.2° | 65.0° |
C09 | CA | C03 | H15 | 86.9° | 55.0° |
C03 | CA | N | HA | 123.1° | 120.0° |
CA | C03 | O04 | H14 | 120.9° | 120.1° |
CA | C03 | O04 | H15 | 121.0° | 120.0° |
CA | C03 | O04 | P05 | 169.4° | 180.0° |
C03 | CA | C09 | H9 | 95.7° | 60.0° |
C03 | CA | N | H | 60.8° | 54.5° |
C03 | CA | N | H2 | 179.3° | 69.5° |
CA | C03 | H14 | H15 | 117.0° | 120.0° |
N | CA | C03 | O04 | 32.1° | 65.0° |
N | CA | C09 | H9 | 30.0° | 59.9° |
CA | N | H | H2 | 120.0° | 124.0° |
N | CA | C03 | H14 | 88.9° | 55.0° |
N | CA | C03 | H15 | 153.1° | 175.0° |
C03 | O04 | P05 | O06 | 37.5° | 55.0° |
C03 | O04 | P05 | O07 | 81.4° | 65.0° |
C03 | O04 | P05 | O08 | 157.0° | 175.0° |
O04 | C03 | CA | HA | 91.3° | 54.9° |
O04 | C03 | H14 | H15 | 117.0° | 120.0° |
O06 | P05 | O04 | O07 | 118.9° | 120.0° |
O06 | P05 | O04 | O08 | 119.4° | 120.0° |
O06 | P05 | O07 | O08 | 130.6° | 120.0° |
O06 | P05 | O07 | H16 | 0.0° | 179.9° |
O06 | P05 | O08 | H17 | 0.0° | 60.0° |
O04 | P05 | O07 | O08 | 111.6° | 120.0° |
P05 | O04 | C03 | H14 | 48.4° | 60.0° |
P05 | O04 | C03 | H15 | 69.7° | 60.0° |
O04 | P05 | O07 | H16 | 117.8° | 59.9° |
O04 | P05 | O08 | H17 | 118.0° | 180.0° |
O07 | P05 | O08 | H17 | 130.4° | 60.0° |
O08 | P05 | O07 | H16 | 130.6° | 60.1° |
H1 | C13 | C14 | H4 | 12.8° | 145.2° |
H1 | C13 | C12 | H5 | 12.5° | 36.9° |
H1 | C13 | C12 | H6 | 108.3° | 160.5° |
H3 | C13 | C14 | H4 | 132.5° | 22.5° |
H3 | C13 | C12 | H5 | 132.3° | 86.0° |
H3 | C13 | C12 | H6 | 11.5° | 37.6° |
H4 | C14 | C | OXT | 19.9° | 24.1° |
H5 | C12 | C11 | H7 | 131.3° | 85.6° |
H5 | C12 | C11 | H8 | 9.9° | 37.0° |
H6 | C12 | C11 | H7 | 10.6° | 37.9° |
H6 | C12 | C11 | H8 | 110.9° | 160.5° |
H9 | C09 | CA | HA | 147.8° | 179.9° |
HA | CA | N | H | 62.3° | 174.5° |
HA | CA | N | H2 | 57.6° | 50.5° |
HA | CA | C03 | H14 | 147.7° | 175.0° |
HA | CA | C03 | H15 | 29.7° | 65.1° |