2WP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | sing | 1.43Å | 1.45Å | |
O4 | C1 | sing | 1.44Å | 1.43Å | |
O4 | C4 | sing | 1.44Å | 1.44Å | |
C1 | C2 | sing | 1.54Å | 1.56Å | |
N | CA | sing | 1.47Å | 1.47Å | |
C4 | C5 | sing | 1.53Å | 1.54Å | |
C4 | C3 | sing | 1.55Å | 1.56Å | |
CA | C | sing | 1.51Å | 1.57Å | |
CA | CB | sing | 1.53Å | 1.56Å | |
C2 | O2 | sing | 1.43Å | 1.39Å | |
C2 | C3 | sing | 1.55Å | 1.54Å | |
C5 | SD | sing | 1.81Å | 1.84Å | |
CG | CB | sing | 1.53Å | 1.52Å | |
CG | SD | sing | 1.81Å | 1.84Å | |
C3 | O3 | sing | 1.43Å | 1.39Å | |
C | O | doub | 1.21Å | 1.25Å | |
C | OXT | sing | 1.34Å | 1.25Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å | |
N | H10 | sing | 1.01Å | 1.00Å | |
N | H11 | sing | 1.01Å | 1.00Å | |
CA | H13 | sing | 1.09Å | 1.10Å | |
CB | H14 | sing | 1.09Å | 1.10Å | |
CB | H15 | sing | 1.09Å | 1.10Å | |
CG | H16 | sing | 1.09Å | 1.10Å | |
CG | H17 | sing | 1.09Å | 1.10Å | |
OXT | H18 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | O4 | 111.2° | 110.0° |
O1 | C1 | C2 | 110.3° | 109.8° |
O1 | C1 | H1 | 111.3° | 109.9° |
C1 | O1 | HO1 | 109.5° | 114.0° |
C1 | O4 | C4 | 111.6° | 107.0° |
O4 | C1 | C2 | 102.4° | 107.3° |
O4 | C1 | H1 | 111.6° | 109.9° |
O4 | C4 | C5 | 110.2° | 110.6° |
O4 | C4 | C3 | 104.5° | 103.5° |
O4 | C4 | H4 | 111.6° | 110.7° |
C1 | C2 | O2 | 112.6° | 110.5° |
C1 | C2 | C3 | 99.3° | 104.2° |
C2 | C1 | H1 | 109.7° | 109.9° |
C1 | C2 | H2 | 109.7° | 110.5° |
N | CA | C | 110.6° | 109.5° |
N | CA | CB | 108.7° | 109.4° |
CA | N | H10 | 109.5° | 111.0° |
CA | N | H11 | 109.5° | 111.0° |
N | CA | H13 | 110.4° | 109.5° |
C5 | C4 | C3 | 110.5° | 110.6° |
C4 | C5 | SD | 111.9° | 109.5° |
C5 | C4 | H4 | 110.1° | 110.6° |
C4 | C5 | H51 | 108.9° | 109.5° |
C4 | C5 | H52 | 108.9° | 109.5° |
C4 | C3 | C2 | 100.8° | 102.1° |
C4 | C3 | O3 | 105.1° | 110.9° |
C4 | C3 | H3 | 111.4° | 110.9° |
C3 | C4 | H4 | 109.9° | 110.6° |
C | CA | CB | 108.9° | 109.5° |
CA | C | O | 114.6° | 120.0° |
CA | C | OXT | 118.4° | 120.0° |
C | CA | H13 | 109.0° | 109.5° |
CA | CB | CG | 110.0° | 109.5° |
CB | CA | H13 | 109.2° | 109.5° |
CA | CB | H14 | 109.3° | 109.5° |
CA | CB | H15 | 109.4° | 109.5° |
O2 | C2 | C3 | 112.0° | 110.5° |
O2 | C2 | H2 | 112.4° | 110.4° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C2 | C3 | O3 | 112.7° | 110.9° |
C3 | C2 | H2 | 110.1° | 110.5° |
C2 | C3 | H3 | 111.7° | 110.9° |
C5 | SD | CG | 98.0° | 103.0° |
SD | C5 | H51 | 108.9° | 109.5° |
SD | C5 | H52 | 108.9° | 109.4° |
CB | CG | SD | 108.5° | 109.5° |
CG | CB | H14 | 109.3° | 109.5° |
CG | CB | H15 | 109.3° | 109.4° |
CB | CG | H16 | 109.7° | 109.5° |
CB | CG | H17 | 109.7° | 109.4° |
SD | CG | H16 | 109.7° | 109.5° |
SD | CG | H17 | 109.7° | 109.5° |
O3 | C3 | H3 | 114.1° | 110.9° |
C3 | O3 | HO3 | 109.5° | 113.9° |
O | C | OXT | 127.0° | 120.1° |
C | OXT | H18 | 109.5° | 117.0° |
H51 | C5 | H52 | 109.5° | 109.5° |
H10 | N | H11 | 109.5° | 110.9° |
H14 | CB | H15 | 109.5° | 109.4° |
H16 | CG | H17 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | O4 | C2 | 117.8° | 119.4° |
O1 | C1 | O4 | H1 | 125.0° | 121.2° |
O1 | C1 | O4 | C4 | 92.9° | 92.9° |
O1 | C1 | C2 | H1 | 123.0° | 121.0° |
O1 | C1 | C2 | O2 | 42.7° | 1.1° |
O1 | C1 | C2 | C3 | 76.0° | 117.5° |
O1 | C1 | C2 | H2 | 168.7° | 123.7° |
O4 | C1 | C2 | H1 | 118.6° | 119.4° |
C1 | O4 | C4 | C5 | 115.5° | 158.6° |
C1 | O4 | C4 | C3 | 3.1° | 40.1° |
O4 | C1 | C2 | O2 | 161.1° | 120.7° |
O4 | C1 | C2 | C3 | 42.4° | 2.0° |
O4 | C1 | O1 | HO1 | 180.0° | 62.1° |
O4 | C1 | C2 | H2 | 72.9° | 116.8° |
C1 | O4 | C4 | H4 | 121.8° | 78.5° |
C4 | O4 | C1 | C2 | 24.9° | 26.5° |
O4 | C4 | C5 | C3 | 114.9° | 114.0° |
O4 | C4 | C5 | H4 | 123.5° | 123.0° |
O4 | C4 | C3 | H4 | 119.8° | 118.6° |
O4 | C4 | C3 | C2 | 30.2° | 37.0° |
O4 | C4 | C5 | SD | 153.8° | 70.9° |
O4 | C4 | C3 | O3 | 87.0° | 155.2° |
C4 | O4 | C1 | H1 | 142.1° | 145.9° |
O4 | C4 | C3 | H3 | 148.9° | 81.2° |
O4 | C4 | C5 | H51 | 85.9° | 169.1° |
O4 | C4 | C5 | H52 | 33.4° | 49.0° |
C1 | C2 | C3 | C4 | 43.5° | 20.9° |
C1 | C2 | O2 | C3 | 111.0° | 114.8° |
C1 | C2 | O2 | H2 | 124.6° | 122.6° |
C1 | C2 | C3 | H2 | 115.1° | 118.7° |
C1 | C2 | C3 | O3 | 68.0° | 139.0° |
C2 | C1 | O1 | HO1 | 67.1° | 180.0° |
C1 | C2 | O2 | HO2 | 180.0° | 61.5° |
C1 | C2 | C3 | H3 | 162.0° | 97.3° |
N | CA | C | CB | 119.4° | 120.0° |
N | CA | C | H13 | 121.6° | 120.0° |
N | CA | CB | H13 | 120.5° | 120.0° |
N | CA | CB | CG | 67.4° | 65.1° |
N | CA | C | O | 32.2° | 20.0° |
N | CA | C | OXT | 147.4° | 160.0° |
CA | N | H10 | H11 | 120.0° | 124.0° |
N | CA | CB | H14 | 52.6° | 55.0° |
N | CA | CB | H15 | 172.5° | 175.0° |
C5 | C4 | C3 | H4 | 121.7° | 122.9° |
C5 | C4 | C3 | C2 | 88.3° | 155.5° |
C4 | C5 | SD | H51 | 120.4° | 120.0° |
C4 | C5 | SD | H52 | 120.4° | 120.0° |
C4 | C5 | SD | CG | 81.1° | 180.0° |
C5 | C4 | C3 | O3 | 154.5° | 86.3° |
C5 | C4 | C3 | H3 | 30.4° | 37.3° |
C4 | C5 | H51 | H52 | 118.9° | 120.0° |
C4 | C3 | C2 | O2 | 162.6° | 97.8° |
C4 | C3 | C2 | O3 | 111.5° | 118.1° |
C4 | C3 | C2 | H3 | 118.5° | 118.2° |
C3 | C4 | C5 | SD | 91.3° | 175.0° |
C4 | C3 | O3 | H3 | 122.4° | 123.6° |
C4 | C3 | C2 | H2 | 71.6° | 139.6° |
C4 | C3 | O3 | HO3 | 180.0° | 174.2° |
C3 | C4 | C5 | H51 | 29.1° | 55.0° |
C3 | C4 | C5 | H52 | 148.3° | 65.0° |
C | CA | CB | H13 | 118.9° | 120.0° |
C | CA | CB | CG | 172.0° | 175.0° |
CA | C | O | OXT | 179.5° | 180.0° |
C | CA | N | H10 | 180.0° | 60.0° |
C | CA | N | H11 | 60.0° | 176.1° |
C | CA | CB | H14 | 67.9° | 65.0° |
C | CA | CB | H15 | 51.9° | 55.0° |
CA | C | OXT | H18 | 179.5° | 180.0° |
CA | CB | CG | H14 | 120.1° | 120.1° |
CA | CB | CG | H15 | 120.1° | 120.0° |
CA | CB | CG | SD | 178.3° | 180.0° |
CB | CA | C | O | 87.2° | 100.0° |
CB | CA | C | OXT | 93.2° | 80.1° |
CB | CA | N | H10 | 60.5° | 60.0° |
CB | CA | N | H11 | 179.5° | 63.9° |
CA | CB | H14 | H15 | 119.8° | 120.0° |
CA | CB | CG | H16 | 58.5° | 59.9° |
CA | CB | CG | H17 | 61.8° | 60.0° |
O2 | C2 | C3 | H2 | 125.8° | 122.5° |
O2 | C2 | C3 | O3 | 51.1° | 20.3° |
O2 | C2 | C1 | H1 | 80.3° | 119.9° |
O2 | C2 | C3 | H3 | 78.9° | 144.0° |
C2 | C3 | O3 | H3 | 128.8° | 123.7° |
C3 | C2 | C1 | H1 | 161.1° | 121.4° |
C3 | C2 | O2 | HO2 | 69.0° | 176.3° |
C2 | C3 | O3 | HO3 | 71.1° | 61.5° |
C2 | C3 | C4 | H4 | 150.0° | 81.6° |
C5 | SD | CG | CB | 179.1° | 180.0° |
SD | C5 | C4 | H4 | 30.3° | 52.1° |
SD | C5 | H51 | H52 | 118.9° | 120.0° |
C5 | SD | CG | H16 | 59.2° | 60.0° |
C5 | SD | CG | H17 | 61.1° | 60.0° |
CB | CG | SD | H16 | 119.8° | 120.1° |
CB | CG | SD | H17 | 119.9° | 120.0° |
CG | CB | CA | H13 | 53.1° | 55.0° |
CG | CB | H14 | H15 | 119.7° | 120.0° |
CB | CG | H16 | H17 | 120.5° | 120.0° |
CG | SD | C5 | H51 | 158.5° | 60.0° |
CG | SD | C5 | H52 | 39.2° | 60.0° |
SD | CG | CB | H14 | 61.6° | 60.0° |
SD | CG | CB | H15 | 58.2° | 60.0° |
SD | CG | H16 | H17 | 120.5° | 120.0° |
O3 | C3 | C2 | H2 | 176.9° | 102.2° |
O3 | C3 | C4 | H4 | 32.8° | 36.6° |
O | C | CA | H13 | 153.7° | 140.0° |
O | C | OXT | H18 | 0.0° | 0.1° |
OXT | C | CA | H13 | 25.8° | 40.0° |
H1 | C1 | O1 | HO1 | 54.9° | 59.0° |
H1 | C1 | C2 | H2 | 45.7° | 2.6° |
H2 | C2 | O2 | HO2 | 55.4° | 61.1° |
H2 | C2 | C3 | H3 | 46.9° | 21.5° |
H3 | C3 | O3 | HO3 | 57.7° | 62.2° |
H3 | C3 | C4 | H4 | 91.3° | 160.2° |
H4 | C4 | C5 | H51 | 150.6° | 67.9° |
H4 | C4 | C5 | H52 | 90.1° | 172.1° |
H10 | N | CA | H13 | 59.3° | 180.0° |
H11 | N | CA | H13 | 60.7° | 56.1° |
H13 | CA | CB | H14 | 173.2° | 175.0° |
H13 | CA | CB | H15 | 67.0° | 65.0° |
H14 | CB | CG | H16 | 178.6° | NaN° |
H14 | CB | CG | H17 | 58.3° | 60.0° |
H15 | CB | CG | H16 | 61.6° | 60.0° |
H15 | CB | CG | H17 | 178.1° | 180.0° |