M438
  PyMOL2.3          3D                             0

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M  END
>  <s_m_entry_id>
744

>  <s_m_entry_name>
com.11

>  <s_m_Source_Path>
C:\Users\86173\Desktop\fep_new\glide-dock_SP_2_001

>  <s_m_Source_File>


>  <2_pv.maegz>


>  <i_m_Source_File_Index>
182

>  <chiral flag>
1

>  <version>
0

>  <s_i_glide_gridfile>
glide-grid_1

>  <i_i_glide_lignum>
11

>  <i_i_glide_rotatable_bonds>
5

>  <r_i_docking_score>
-10.548237

>  <r_i_glide_ligand_efficiency>
-0.263706

>  <r_i_glide_ligand_efficiency_sa>
-0.901862

>  <r_i_glide_ligand_efficiency_ln>
-2.249629

>  <r_i_glide_gscore>
-10.561137

>  <r_i_glide_lipo>
-4.748802

>  <r_i_glide_hbond>
-0.594611

>  <r_i_glide_metal>
0

>  <r_i_glide_rewards>
-0.381639

>  <r_i_glide_evdw>
-52.001827

>  <r_i_glide_ecoul>
-16.270384

>  <r_i_glide_erotb>
0.346539

>  <r_i_glide_esite>
-0.141974

>  <r_i_glide_emodel>
-128.022012

>  <r_i_glide_energy>
-68.272211

>  <r_i_glide_einternal>
4.630373

>  <i_i_glide_confnum>
155

>  <i_i_glide_posenum>
1130

>  <r_i_glide_eff_state_penalty>
0.012900

>  <i_lp_mmshare_version>
41011

>  <i_f3d_flags>
0

>  <s_epik_input>
W0NIMl0xW0NASF0yW0NAQEhdMVtDSDJdYyhjMjMpYyhbY0hdW2NIXVtjSF0zKS1jKGM0RiluW2NIXWMoYzQ1KWMoTihbQ0gyXVtDQEhdNjcpW0NIMl1bQ0BIXShbTkhdNylbQ0gyXVtDSDJdNiluYyhuNSlPW0NIMl1bQ0BAXTg5TihbQ0gyXVtDSDJdW0NIMl04KVtDSDJdW0NASF0oRilbQ0gyXTk=

>  <s_epik_cmdline>
J2VwaWtfcHl0aG9uJywgJy1waCcsICc3LjAnLCAnLXRuJywgJzgnLCAnLW1hJywgJzIwMCcsICctaW1hZScsICc8aW5maWxlLm1hZT4nLCAnLW9tYWUnLCAnPG91dGZpbGUubWFlPic=

>  <r_epik_Ionization_Penalty>
0.018900

>  <r_epik_Ionization_Penalty_Charging>
0.018800

>  <r_epik_Ionization_Penalty_Neutral>
0.000100

>  <r_epik_State_Penalty>
0.012900

>  <r_epik_Charging_Adjusted_Penalty>
0.031635

>  <i_epik_Tot_Q>
2

>  <i_epik_Tot_abs_Q>
2

>  <s_lp_Force_Field>
OPLS3

>  <r_lp_Energy>
92.000111

>  <b_lp_Chiralities_Consistent>
1

>  <s_lp_Variant>
M438-1

>  <s_m_subgroupid>


>  <2_pv>


>  <s_m_subgroup_title>


>  <b_m_subgroup_collapsed>
0

> <exp_dG>
-10.50
$$$$