Supplementary file 5: Measurement of distance of docked poses from the regression line;;;;;
;WS_ligand;Intercept;Slope;R_squared;distance
0;WS1_conformation_1;-4.929389903;-1.355589939;0.652861069;0.061827693
1;WS1_conformation_2;-4.481459131;-1.547210642;0.698358293;0.104551599
2;WS1_conformation_3;-4.658060579;-1.528336562;0.843829521;0.141567977
3;WS1_conformation_4;-5.858529236;-1.158393519;0.701649947;0.163543521
4;WS1_conformation_5;-5.814194848;-1.139692408;0.664290067;0.131975232
5;WS4_conformation_1;-5.803593465;-1.052327422;0.540448594;0.045648748
6;WS4_conformation_2;-5.214312588;-1.286485275;0.672417717;0.084813792
7;WS4_conformation_3;-7.33582554;-0.617769103;0.409843444;0.109452422
8;WS4_conformation_4;-4.921538552;-1.399959078;0.795557894;0.101550944
9;WS4_conformation_5;-6.002873747;-1.080102575;0.55978375;0.134055412
10;WS7_conformation_1;-7.133962264;-0.685554417;0.556690323;0.111058237
11;WS7_conformation_2;-4.978202396;-1.364038051;0.753499571;0.085045469
12;WS7_conformation_3;-6.759501401;-0.779244124;0.611010501;0.083574848
13;WS7_conformation_4;-6.460744586;-0.935899723;0.707358386;0.139488302
14;WS7_conformation_5;-4.696014792;-1.432883287;0.602721906;0.062663902
15;WS11_conformation_1;-5.07609231;-1.353460622;0.704801872;0.105453772
16;WS11_conformation_2;-6.538450379;-0.908723575;0.606338607;0.13784122
17;WS11_conformation_3;-4.43851739;-1.601509447;0.795660196;0.142792397
18;WS11_conformation_4;-6.570673095;-0.872188362;0.553806351;0.113146656
19;WS11_conformation_5;-5.241798583;-1.333990661;0.697587601;0.138513579