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Thanks a lot for your reply.
I tried again following your suggestion, to put my interest component as the last one. But there was no improvement.
the options were’
-in:file:s xxx.pdb
-packing:ex1
-packing:ex2
-packing:use_input_sc
-run:min_type dfpmin_armijo_nonmonotone
-in:file:frag3 aaxxxx03_05.200_v1_3
-flexible_chain F
-flexible_start_resnum 1
-flexible_stop_resnum 44
-AnchoredDesign:perturb_show
-AnchoredDesign:perturb_temp 0.8
-AnchoredDesign:refine_temp 0.8
-AnchoredDesign:refine_repack_cycles 10
-AnchoredDesign:perturb_cycles 500
-AnchoredDesign:refine_cycles 100
-nstruct 1′
One difference is that my ‘floppy tail’ is localized in N-terminal. Could it be the possible reason? Thanks for any further suggestion.