1LOA
three-dimensional structures of complexes of lathyrus ochrus isolectin i with glucose and mannose: fine specificity of the monosaccharide-binding site
Total interactions analyzed 28
Total true interactions 20
Strongest Interaction Chains E-F
Int. Res. 203
Norm. En. per Res. -9.3037
Hub Node C(5)
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Weak Strong
Width of edge <-> No. of inter. res.
All Interactions
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Chains Hydro. Bond Ener. (kJ/mol) Elec. Ener. (kJ/mol) VDW. Ener. (kJ/mol) Tot. Stab. Ener. (kJ/mol) #int. res. # Short cont. #Hydr. int. #VDW pairs #salt bridges #Pot. fav. elec. int #Pot. unfav. elec. int int. res.
A-B -496.2053 -22.0107 -1355.43 -1873.646 204 76 52 48241 2 26 34
A-C -54.8757 -11.6039 -176.806 -243.2856 66 12 0 7421 0 14 17
A-D 0.0 10.8104 -42.7362 -31.9258 35 4 0 1158 0 3 1
A-G 0.0 0.0 -0.0525 -0.0525 6 0 0 15 0 0 0
B-C 0.0 7.6951 -39.2439 -31.5488 34 2 0 1035 0 3 1
B-D 0.0 0.0 -0.0004 -0.0004 2 0 0 1 0 2 1
B-G 0.0 0.0 -0.0021 -0.0021 3 0 0 3 0 0 0
C-D -473.8797 -32.5996 -1320.61 -1827.0893 205 67 51 48089 2 25 33
C-E 0.0 0.0 -0.0365 -0.0365 7 0 0 18 0 0 0
C-F 0.0 0.0 -0.0029 -0.0029 3 0 0 3 0 0 0
C-G 0.0 0.0 -6.1818 -6.1818 27 0 0 516 0 0 0
C-H 0.0 0.0 -12.0977 -12.0977 14 0 0 542 0 0 0
D-G -4.8162 0.0 -13.7832 -18.5994 15 0 0 567 0 0 0
D-H 0.0 0.0 -3.0517 -3.0517 8 0 1 151 0 0 1
E-F -524.4943 -22.3623 -1341.79 -1888.6467 203 91 54 48490 2 27 33
E-G -53.7205 -27.457 -188.86 -270.0375 68 14 0 7742 1 15 18
E-H 0.0 13.6125 -42.4474 -28.8349 35 0 0 1207 0 3 1
F-G 0.0 7.1987 -41.2319 -34.0332 35 3 0 1139 0 3 1
F-H 0.0 0.0 -0.0005 -0.0005 2 0 0 1 0 2 1
G-H -507.3237 -18.7661 -1325.24 -1851.3299 204 73 52 48165 1 25 33