MCQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C2 | doub | 1.21Å | 1.28Å | |
C21 | C11 | sing | 1.53Å | 1.48Å | |
C21 | S2 | sing | 1.81Å | 1.81Å | |
C11 | O1 | sing | 1.43Å | 1.41Å | |
CD2 | CE2 | doub | 1.38Å | 1.39Å | Aromatic |
CD2 | CG2 | sing | 1.38Å | 1.39Å | Aromatic |
CE2 | CZ | sing | 1.39Å | 1.39Å | Aromatic |
CB2 | CG2 | sing | 1.51Å | 1.49Å | |
CB2 | S2 | sing | 1.81Å | 1.82Å | |
CB2 | CA2 | sing | 1.53Å | 1.48Å | |
C2 | CA2 | sing | 1.52Å | 1.46Å | |
C2 | N3 | sing | 1.35Å | 1.32Å | |
CG2 | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
CA3 | N3 | sing | 1.46Å | 1.46Å | |
CA3 | C3 | sing | 1.51Å | 1.51Å | |
CA2 | N2 | sing | 1.47Å | 1.35Å | |
O3 | C3 | doub | 1.21Å | 1.25Å | |
N3 | C1 | sing | 1.37Å | 1.36Å | |
CZ | OH | sing | 1.36Å | 1.36Å | |
CZ | CE1 | doub | 1.39Å | 1.38Å | Aromatic |
CD1 | CE1 | sing | 1.38Å | 1.38Å | Aromatic |
N2 | C1 | doub | 1.29Å | 1.36Å | |
C1 | CA1 | sing | 1.51Å | 1.48Å | |
CA1 | N1 | sing | 1.47Å | 1.28Å | |
CA1 | CB1 | sing | 1.53Å | 1.52Å | |
CB1 | CG1 | sing | 1.53Å | 1.53Å | |
CG1 | SD | sing | 1.81Å | 1.76Å | |
SD | CE | sing | 1.81Å | 1.76Å | |
CA3 | H2 | sing | 1.09Å | 1.10Å | |
CA3 | H3 | sing | 1.09Å | 1.10Å | |
CB1 | H5 | sing | 1.09Å | 1.10Å | |
CB1 | H6 | sing | 1.09Å | 1.10Å | |
CG1 | H7 | sing | 1.09Å | 1.10Å | |
CG1 | H8 | sing | 1.09Å | 1.10Å | |
CE | H9 | sing | 1.09Å | 1.10Å | |
CE | H10 | sing | 1.09Å | 1.10Å | |
CE | H11 | sing | 1.09Å | 1.10Å | |
N1 | H12 | sing | 1.01Å | 1.00Å | |
CB2 | H13 | sing | 1.09Å | 1.10Å | |
CD2 | H14 | sing | 1.08Å | 1.08Å | |
CD1 | H15 | sing | 1.08Å | 1.08Å | |
CE1 | H16 | sing | 1.08Å | 1.08Å | |
CE2 | H17 | sing | 1.08Å | 1.08Å | |
OH | H18 | sing | 0.97Å | 0.95Å | |
C21 | H19 | sing | 1.09Å | 1.10Å | |
C21 | H20 | sing | 1.09Å | 1.10Å | |
C11 | H21 | sing | 1.09Å | 1.10Å | |
C11 | H22 | sing | 1.09Å | 1.10Å | |
O1 | H23 | sing | 0.97Å | 0.95Å | |
C3 | OXT | sing | 1.34Å | 1.34Å | |
CA1 | H1 | sing | 1.09Å | 1.10Å | |
N1 | HXT | sing | 1.01Å | 1.00Å | |
CA2 | H24 | sing | 1.09Å | 1.10Å | |
OXT | H25 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C2 | CA2 | 124.1° | 127.6° |
O2 | C2 | N3 | 124.0° | 127.6° |
C11 | C21 | S2 | 105.9° | 109.4° |
C21 | C11 | O1 | 109.1° | 109.4° |
C11 | C21 | H19 | 110.3° | 109.4° |
C11 | C21 | H20 | 110.4° | 109.5° |
C21 | C11 | H21 | 109.6° | 109.4° |
C21 | C11 | H22 | 109.6° | 109.5° |
C21 | S2 | CB2 | 99.9° | 103.0° |
S2 | C21 | H19 | 110.4° | 109.4° |
S2 | C21 | H20 | 110.4° | 109.5° |
O1 | C11 | H21 | 109.6° | 109.5° |
O1 | C11 | H22 | 109.6° | 109.5° |
C11 | O1 | H23 | 109.5° | 114.0° |
CE2 | CD2 | CG2 | 119.1° | 120.0° |
CD2 | CE2 | CZ | 120.6° | 120.0° |
CE2 | CD2 | H14 | 120.4° | 119.9° |
CD2 | CE2 | H17 | 119.7° | 120.0° |
CD2 | CG2 | CB2 | 133.1° | 119.9° |
CD2 | CG2 | CD1 | 120.5° | 120.1° |
CG2 | CD2 | H14 | 120.5° | 120.0° |
CE2 | CZ | OH | 120.7° | 120.1° |
CE2 | CZ | CE1 | 119.8° | 119.9° |
CZ | CE2 | H17 | 119.7° | 120.0° |
CG2 | CB2 | S2 | 114.4° | 109.5° |
CG2 | CB2 | CA2 | 122.5° | 109.5° |
CB2 | CG2 | CD1 | 106.4° | 120.0° |
CG2 | CB2 | H13 | 103.8° | 109.5° |
S2 | CB2 | CA2 | 108.1° | 109.4° |
S2 | CB2 | H13 | 101.3° | 109.4° |
CB2 | CA2 | C2 | 130.7° | 110.6° |
CB2 | CA2 | N2 | 126.4° | 110.7° |
CA2 | CB2 | H13 | 103.9° | 109.5° |
CB2 | CA2 | H24 | 90.7° | 110.6° |
CA2 | C2 | N3 | 111.9° | 104.8° |
C2 | CA2 | N2 | 102.8° | 103.7° |
C2 | CA2 | H24 | 90.7° | 110.6° |
C2 | N3 | CA3 | 124.4° | 124.7° |
C2 | N3 | C1 | 104.5° | 110.6° |
CG2 | CD1 | CE1 | 120.1° | 120.1° |
CG2 | CD1 | H15 | 120.0° | 120.0° |
N3 | CA3 | C3 | 112.1° | 109.4° |
CA3 | N3 | C1 | 131.0° | 124.7° |
N3 | CA3 | H2 | 108.8° | 109.5° |
N3 | CA3 | H3 | 108.8° | 109.5° |
CA3 | C3 | O3 | 119.5° | 120.0° |
C3 | CA3 | H2 | 108.8° | 109.5° |
C3 | CA3 | H3 | 108.8° | 109.4° |
CA3 | C3 | OXT | 117.0° | 120.0° |
CA2 | N2 | C1 | 108.8° | 107.7° |
N2 | CA2 | H24 | 90.7° | 110.4° |
O3 | C3 | OXT | 123.4° | 120.0° |
N3 | C1 | N2 | 111.9° | 113.1° |
N3 | C1 | CA1 | 124.7° | 123.4° |
OH | CZ | CE1 | 119.5° | 120.0° |
CZ | OH | H18 | 109.5° | 114.0° |
CZ | CE1 | CD1 | 119.9° | 119.9° |
CZ | CE1 | H16 | 120.0° | 120.0° |
CE1 | CD1 | H15 | 119.9° | 119.9° |
CD1 | CE1 | H16 | 120.0° | 120.0° |
N2 | C1 | CA1 | 123.4° | 123.5° |
C1 | CA1 | N1 | 126.4° | 109.5° |
C1 | CA1 | CB1 | 113.0° | 109.5° |
C1 | CA1 | H1 | 92.7° | 109.5° |
N1 | CA1 | CB1 | 119.8° | 109.4° |
CA1 | N1 | H12 | 109.5° | 111.0° |
N1 | CA1 | H1 | 93.0° | 109.4° |
CA1 | N1 | HXT | 109.5° | 111.0° |
CA1 | CB1 | CG1 | 110.0° | 109.5° |
CA1 | CB1 | H5 | 109.3° | 109.5° |
CA1 | CB1 | H6 | 109.3° | 109.5° |
CB1 | CA1 | H1 | 92.5° | 109.4° |
CB1 | CG1 | SD | 111.1° | 109.5° |
CG1 | CB1 | H5 | 109.4° | 109.5° |
CG1 | CB1 | H6 | 109.3° | 109.5° |
CB1 | CG1 | H7 | 109.1° | 109.5° |
CB1 | CG1 | H8 | 109.1° | 109.4° |
CG1 | SD | CE | 107.2° | 103.0° |
SD | CG1 | H7 | 109.0° | 109.5° |
SD | CG1 | H8 | 109.1° | 109.5° |
SD | CE | H9 | 109.5° | 109.4° |
SD | CE | H10 | 109.4° | 109.5° |
SD | CE | H11 | 109.4° | 109.4° |
H2 | CA3 | H3 | 109.4° | 109.5° |
H5 | CB1 | H6 | 109.5° | 109.4° |
H7 | CG1 | H8 | 109.5° | 109.5° |
H9 | CE | H10 | 109.5° | 109.5° |
H9 | CE | H11 | 109.5° | 109.5° |
H10 | CE | H11 | 109.5° | 109.5° |
H12 | N1 | HXT | 109.5° | 111.0° |
H19 | C21 | H20 | 109.5° | 109.5° |
H21 | C11 | H22 | 109.5° | 109.5° |
C3 | OXT | H25 | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C2 | CA2 | CB2 | 2.2° | 61.2° |
O2 | C2 | CA2 | N3 | 179.5° | 179.7° |
O2 | C2 | N3 | CA3 | 1.3° | 0.3° |
O2 | C2 | CA2 | N2 | 179.9° | 179.9° |
O2 | C2 | N3 | C1 | 179.5° | 180.0° |
O2 | C2 | CA2 | H24 | 89.2° | 61.7° |
C11 | C21 | S2 | H19 | 119.4° | 119.9° |
C11 | C21 | S2 | H20 | 119.4° | 120.0° |
C21 | C11 | O1 | H21 | 119.9° | 119.9° |
C21 | C11 | O1 | H22 | 119.9° | 120.0° |
C11 | C21 | S2 | CB2 | 162.8° | 180.0° |
C11 | C21 | H19 | H20 | 121.7° | 120.0° |
C21 | C11 | H21 | H22 | 120.2° | 120.0° |
C21 | C11 | O1 | H23 | 180.0° | 180.0° |
S2 | C21 | C11 | O1 | 72.8° | 180.0° |
C21 | S2 | CB2 | CG2 | 125.3° | 65.0° |
C21 | S2 | CB2 | CA2 | 94.5° | 175.0° |
C21 | S2 | CB2 | H13 | 14.3° | 55.0° |
S2 | C21 | H19 | H20 | 121.7° | 120.0° |
S2 | C21 | C11 | H21 | 47.1° | 60.0° |
S2 | C21 | C11 | H22 | 167.2° | 60.0° |
O1 | C11 | C21 | H19 | 46.6° | 60.1° |
O1 | C11 | C21 | H20 | 167.7° | 59.9° |
O1 | C11 | H21 | H22 | 120.2° | 120.1° |
CE2 | CD2 | CG2 | H14 | 180.0° | 179.9° |
CD2 | CE2 | CZ | H17 | 180.0° | 180.0° |
CE2 | CD2 | CG2 | CB2 | 179.0° | 180.0° |
CE2 | CD2 | CG2 | CD1 | 0.6° | 0.3° |
CD2 | CE2 | CZ | OH | 179.8° | 179.9° |
CD2 | CE2 | CZ | CE1 | 0.4° | 0.2° |
CG2 | CD2 | CE2 | CZ | 0.0° | 0.1° |
CD2 | CG2 | CB2 | CD1 | 178.6° | 179.7° |
CD2 | CG2 | CB2 | S2 | 98.4° | 60.3° |
CD2 | CG2 | CB2 | CA2 | 127.8° | 59.7° |
CD2 | CG2 | CD1 | CE1 | 0.8° | 0.3° |
CD2 | CG2 | CB2 | H13 | 11.0° | 179.7° |
CD2 | CG2 | CD1 | H15 | 179.2° | 179.7° |
CG2 | CD2 | CE2 | H17 | 180.0° | 179.9° |
CE2 | CZ | OH | CE1 | 179.9° | 179.7° |
CE2 | CZ | CE1 | CD1 | 0.2° | 0.2° |
CZ | CE2 | CD2 | H14 | 180.0° | 180.0° |
CE2 | CZ | CE1 | H16 | 179.8° | 179.7° |
CE2 | CZ | OH | H18 | 180.0° | 90.3° |
CG2 | CB2 | S2 | CA2 | 140.2° | 120.0° |
CG2 | CB2 | S2 | H13 | 111.0° | 120.0° |
CG2 | CB2 | CA2 | H13 | 116.7° | 120.1° |
CG2 | CB2 | CA2 | C2 | 122.6° | 180.0° |
CG2 | CB2 | CA2 | N2 | 60.2° | 65.6° |
CB2 | CG2 | CD1 | CE1 | 179.6° | 180.0° |
CB2 | CG2 | CD2 | H14 | 1.0° | 0.1° |
CB2 | CG2 | CD1 | H15 | 0.4° | 0.0° |
CG2 | CB2 | CA2 | H24 | 31.2° | 57.2° |
S2 | CB2 | CA2 | H13 | 107.0° | 119.9° |
S2 | CB2 | CA2 | C2 | 101.1° | 60.0° |
S2 | CB2 | CG2 | CD1 | 80.2° | 120.0° |
S2 | CB2 | CA2 | N2 | 76.1° | 54.4° |
CB2 | S2 | C21 | H19 | 43.4° | 60.0° |
CB2 | S2 | C21 | H20 | 77.7° | 60.0° |
S2 | CB2 | CA2 | H24 | 167.5° | 177.2° |
CB2 | CA2 | C2 | N2 | 177.7° | 118.8° |
CB2 | CA2 | C2 | H24 | 91.4° | 122.9° |
CB2 | CA2 | C2 | N3 | 178.3° | 118.6° |
CA2 | CB2 | CG2 | CD1 | 53.7° | 120.0° |
CB2 | CA2 | N2 | H24 | 91.4° | 122.9° |
CB2 | CA2 | N2 | C1 | 178.7° | 118.6° |
CA2 | C2 | N3 | CA3 | 178.2° | 179.9° |
C2 | CA2 | N2 | H24 | 90.8° | 118.5° |
CA2 | C2 | N3 | C1 | 0.0° | 0.3° |
C2 | CA2 | N2 | C1 | 0.9° | 0.0° |
C2 | CA2 | CB2 | H13 | 5.9° | 59.9° |
C2 | N3 | CA3 | C1 | 177.7° | 179.6° |
C2 | N3 | CA3 | C3 | 105.6° | 91.6° |
N3 | C2 | CA2 | N2 | 0.6° | 0.2° |
C2 | N3 | C1 | N2 | 0.6° | 0.3° |
C2 | N3 | C1 | CA1 | 179.3° | 179.7° |
C2 | N3 | CA3 | H2 | 14.8° | 148.4° |
C2 | N3 | CA3 | H3 | 134.0° | 28.4° |
N3 | C2 | CA2 | H24 | 90.3° | 118.6° |
CG2 | CD1 | CE1 | CZ | 0.4° | 0.0° |
CG2 | CD1 | CE1 | H15 | 180.0° | 180.0° |
CD1 | CG2 | CB2 | H13 | 170.4° | 0.0° |
CD1 | CG2 | CD2 | H14 | 179.4° | 179.8° |
CG2 | CD1 | CE1 | H16 | 179.6° | 179.9° |
N3 | CA3 | C3 | H2 | 120.4° | 120.0° |
N3 | CA3 | C3 | H3 | 120.4° | 120.0° |
N3 | CA3 | C3 | O3 | 174.3° | 0.3° |
CA3 | N3 | C1 | N2 | 178.6° | 179.9° |
CA3 | N3 | C1 | CA1 | 1.3° | 0.1° |
N3 | CA3 | H2 | H3 | 118.8° | 120.1° |
N3 | CA3 | C3 | OXT | 5.2° | 180.0° |
CA3 | C3 | O3 | OXT | 179.5° | 179.7° |
C3 | CA3 | N3 | C1 | 76.8° | 88.8° |
C3 | CA3 | H2 | H3 | 118.8° | 120.0° |
CA3 | C3 | OXT | H25 | 179.5° | 179.7° |
CA2 | N2 | C1 | N3 | 1.0° | 0.1° |
CA2 | N2 | C1 | CA1 | 178.9° | 179.9° |
N2 | CA2 | CB2 | H13 | 176.9° | 174.4° |
O3 | C3 | CA3 | H2 | 53.9° | 119.7° |
O3 | C3 | CA3 | H3 | 65.3° | 120.3° |
O3 | C3 | OXT | H25 | 0.0° | 0.0° |
N3 | C1 | N2 | CA1 | 180.0° | 180.0° |
N3 | C1 | CA1 | N1 | 15.2° | 144.6° |
N3 | C1 | CA1 | CB1 | 174.5° | 95.4° |
C1 | N3 | CA3 | H2 | 162.9° | 31.2° |
C1 | N3 | CA3 | H3 | 43.7° | 151.2° |
N3 | C1 | CA1 | H1 | 80.6° | 24.6° |
OH | CZ | CE1 | CD1 | 180.0° | 180.0° |
OH | CZ | CE1 | H16 | 0.1° | 0.1° |
OH | CZ | CE2 | H17 | 0.3° | 0.1° |
CZ | CE1 | CD1 | H16 | 180.0° | 179.9° |
CZ | CE1 | CD1 | H15 | 179.6° | 180.0° |
CE1 | CZ | CE2 | H17 | 179.6° | 179.8° |
CE1 | CZ | OH | H18 | 0.1° | 90.0° |
N2 | C1 | CA1 | N1 | 164.8° | 35.4° |
N2 | C1 | CA1 | CB1 | 5.5° | 84.6° |
N2 | C1 | CA1 | H1 | 99.4° | 155.4° |
C1 | N2 | CA2 | H24 | 89.9° | 118.5° |
C1 | CA1 | N1 | CB1 | 169.7° | 120.0° |
C1 | CA1 | N1 | H1 | 95.6° | 120.0° |
C1 | CA1 | CB1 | H1 | 94.0° | 120.0° |
C1 | CA1 | CB1 | CG1 | 96.4° | 175.0° |
C1 | CA1 | CB1 | H5 | 143.5° | 55.0° |
C1 | CA1 | CB1 | H6 | 23.6° | 65.0° |
C1 | CA1 | N1 | H12 | 180.0° | 55.8° |
C1 | CA1 | N1 | HXT | 60.0° | 68.1° |
N1 | CA1 | CB1 | H1 | 95.0° | 119.9° |
N1 | CA1 | CB1 | CG1 | 74.6° | 64.9° |
N1 | CA1 | CB1 | H5 | 45.5° | 175.0° |
N1 | CA1 | CB1 | H6 | 165.3° | 55.1° |
CA1 | N1 | H12 | HXT | 120.0° | 123.9° |
CA1 | CB1 | CG1 | H5 | 120.1° | 120.1° |
CA1 | CB1 | CG1 | H6 | 120.1° | 120.0° |
CA1 | CB1 | CG1 | SD | 129.5° | 180.0° |
CA1 | CB1 | H5 | H6 | 119.7° | 120.0° |
CA1 | CB1 | CG1 | H7 | 110.3° | 60.0° |
CA1 | CB1 | CG1 | H8 | 9.2° | 60.0° |
CB1 | CA1 | N1 | H12 | 10.3° | 64.2° |
CB1 | CA1 | N1 | HXT | 109.7° | 171.9° |
CB1 | CG1 | SD | H7 | 120.3° | 120.0° |
CB1 | CG1 | SD | H8 | 120.3° | 120.0° |
CB1 | CG1 | SD | CE | 111.3° | 180.0° |
CG1 | CB1 | H5 | H6 | 119.7° | 120.0° |
CB1 | CG1 | H7 | H8 | 119.3° | 120.0° |
CG1 | CB1 | CA1 | H1 | 169.6° | 55.0° |
SD | CG1 | CB1 | H5 | 9.4° | 59.9° |
SD | CG1 | CB1 | H6 | 110.5° | 60.0° |
SD | CG1 | H7 | H8 | 119.2° | 120.0° |
CG1 | SD | CE | H9 | 180.0° | 60.0° |
CG1 | SD | CE | H10 | 60.0° | 180.0° |
CG1 | SD | CE | H11 | 60.0° | 60.0° |
CE | SD | CG1 | H7 | 128.4° | 60.0° |
CE | SD | CG1 | H8 | 8.9° | 60.0° |
SD | CE | H9 | H10 | 120.0° | 120.0° |
SD | CE | H9 | H11 | 120.0° | 119.9° |
SD | CE | H10 | H11 | 120.0° | 120.0° |
H2 | CA3 | C3 | OXT | 125.6° | 60.0° |
H3 | CA3 | C3 | OXT | 115.2° | 60.0° |
H5 | CB1 | CG1 | H7 | 129.6° | 180.0° |
H5 | CB1 | CG1 | H8 | 110.8° | 60.0° |
H5 | CB1 | CA1 | H1 | 49.5° | 65.1° |
H6 | CB1 | CG1 | H7 | 9.8° | 60.1° |
H6 | CB1 | CG1 | H8 | 129.3° | 180.0° |
H6 | CB1 | CA1 | H1 | 70.3° | 175.0° |
H9 | CE | H10 | H11 | 120.0° | 120.0° |
H12 | N1 | CA1 | H1 | 84.4° | 175.9° |
H13 | CB2 | CA2 | H24 | 85.5° | 62.9° |
H14 | CD2 | CE2 | H17 | 0.0° | 0.0° |
H15 | CD1 | CE1 | H16 | 0.4° | 0.1° |
H19 | C21 | C11 | H21 | 166.5° | 180.0° |
H19 | C21 | C11 | H22 | 73.4° | 60.0° |
H20 | C21 | C11 | H21 | 72.3° | 60.0° |
H20 | C21 | C11 | H22 | 47.8° | 180.0° |
H21 | C11 | O1 | H23 | 60.1° | 60.1° |
H22 | C11 | O1 | H23 | 60.1° | 59.9° |
H1 | CA1 | N1 | HXT | 155.6° | 52.0° |