iseed=3269 n_ene=19 nparmset={POPSIZE} out_newe mask_sc=0 mask_scp=1 mask_elec=1 mask_ang=1 mask_scloc=1 mask_tor=1 & mask_tord=1 mask_corrh=1 mask_corr5=0 mask_corr6=0 mask_el_loc=1 & mask_turn3=1 mask_turn4=1 mask_turn6=0 mask_vdwpp=1 mask_sccor=1 wlow_sc=0.8 wlow_scp=0.0 wlow_elec=0.00 wlow_ang=0.00 wlow_scloc=0.00 & wlow_tor=0.0 wlow_tord=0.0 wlow_corrh=0.00 wlow_corr5=0.00 wlow_corr6=0.00 & wlow_sccor=0.0 & wlow_el_loc=0.00 wlow_turn3=0.00 wlow_turn4=0.00 wlow_turn6=0.00 wlow_vdwpp=0.0 wup_sc=1.2 wup_scp=5.0 wup_elec=5.0 wup_ang=5.00 wup_scloc=5.0 & wup_tor=5.0 wup_tord=5.0 wup_corrh=5.0 wup_corr5=5.0 wup_corr6=5.0 & wup_el_loc=5.0 wup_turn3=5.0 wup_turn4=5.0 wup_turn6=5.0 wup_vdwpp=5.0 & wup_sccor=0.0 mode=3 maxmin=10 maxfun=2000 opt_mode=0 tolf=1.0E-4 rtolf=1.0E-4 out_minim & print_ini print_fin print_stat optimize_other read_stat=4 minimizer=sumsl & rescale_mode=2 mod_side end mod_fourier end mod_elec end mod_scp end {WEIGHTS} nprot=2 {PREFIX01} rmscut=2.0 rmscut_gap=2.0 rkt=0.01 0.01 dkt=0.01 enecut=10000 enecut_min=10000 & enecut_max=20000 nbatch=1 nclass=2 nlevel=1 id=coil nelem=1 mask=*.0.* id=native nelem=1 mask=*.1.* ngap_read=1 nT=13 beta=270 270 280 280 290 290 300 300 310 310 320 320 330 330 & 340 340 345 345 350 350 360 360 370 370 380 380 & hefac=10000 htfac=10000 helow=0 htlow=0 nlev1=1 nlev2=1 level1=native level2=coil enegap=-2.0 -0.6 ewall=0.01 !270 enegap=-2.0 -0.6 ewall=0.01 !280 enegap=-2.0 -0.6 ewall=0.01 !290 enegap=-2.0 -0.6 ewall=0.01 !300 enegap=-2.0 -0.6 ewall=0.01 !310 enegap=-2.0 -0.6 ewall=0.01 !320 enegap=-2.0 -0.6 ewall=0.01 !330 enegap=-2.0 -0.6 ewall=0.01 !340 enegap=-0.5 0.5 ewall=0.01 !345 enegap=0.5 5.0 ewall=0.01 !350 enegap=0.5 5.0 ewall=0.01 !360 enegap=0.5 5.0 ewall=0.01 !370 enegap=0.5 5.0 ewall=0.01 !380 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !270 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !280 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !290 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !300 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !310 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !320 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !330 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !340 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !345 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !350 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !360 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !370 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !380 ./{PARAM01} nres=14 one_letter XSWTWENGKWTWKX 0 PDBREF CAONLY SPLIT_BET=0 print_class nfrag=1 CUTOFF_UP=6.0 CUTOFF_LOW=6.0 RMSUP_LIM=6.0 RMSUPUP_LIM=6.0 NFRAG=1 & FRAC_SEC=0.3 npiece=1 n_shift1=3 n_shift2=3 rms=1 qcut=0.40 qwol=1 local=0 angcut=60.0 & elcont=0 sccont=0 ifrag1=2 ifrag2=13 ./{PREFIX01}.pdb read_weights=1 batch=1 class=all & qlow=0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.60 0.70 0.70 0.70 & qup=0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.90 0.90 0.90 0.90 0.90 & wq=1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 & 1.0d10 1.0d10 1.0d10 end {PREFIX02} rmscut=2.0 rmscut_gap=2.0 rkt=0.01 0.01 dkt=0.01 enecut=10000 enecut_min=10000 & enecut_max=20000 nbatch=1 nclass=2 nlevel=1 id=coil nelem=1 mask=*.0.* id=native nelem=1 mask=*.1.* ngap_read=1 nT=13 beta=270 270 280 280 290 290 300 300 310 310 320 320 330 330 & 340 340 345 345 350 350 360 360 370 370 380 380 & hefac=10000 htfac=10000 helow=0 htlow=0 nlev1=1 nlev2=1 level1=native level2=coil enegap=-2.0 -0.6 ewall=0.01 !270 enegap=-2.0 -0.6 ewall=0.01 !280 enegap=-2.0 -0.6 ewall=0.01 !290 enegap=-2.0 -0.6 ewall=0.01 !300 enegap=-2.0 -0.6 ewall=0.01 !310 enegap=-2.0 -0.6 ewall=0.01 !320 enegap=-2.0 -0.6 ewall=0.01 !330 enegap=-2.0 -0.6 ewall=0.01 !340 enegap=-0.5 0.5 ewall=0.01 !345 enegap=0.5 5.0 ewall=0.01 !350 enegap=0.5 5.0 ewall=0.01 !360 enegap=0.5 5.0 ewall=0.01 !370 enegap=0.5 5.0 ewall=0.01 !380 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !270 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !280 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !290 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !300 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !310 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !320 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !330 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !340 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !345 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !350 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !360 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !370 entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !380 ./{PARAM02} nres=22 one_letter XNLYIQWLKDGGPSSGRPPPSX 0 PDBREF CAONLY SPLIT_BET=0 print_class nfrag=1 CUTOFF_UP=6.0 CUTOFF_LOW=6.0 RMSUP_LIM=6.0 RMSUPUP_LIM=6.0 NFRAG=1 & FRAC_SEC=0.3 npiece=1 n_shift1=3 n_shift2=3 rms=1 qcut=0.40 qwol=1 local=0 angcut=60.0 & elcont=0 sccont=0 ifrag1=2 ifrag2=13 ./{PREFIX02}.pdb read_weights=1 batch=1 class=all & qlow=0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.60 0.70 0.70 0.70 & qup=0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.90 0.90 0.90 0.90 0.90 & wq=1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 & 1.0d10 1.0d10 1.0d10 end nthehel=25 ngahel=40 the0hel=70 dthehel=2 ga0hel=-100 & nrbet=15 r0bet=3.0 nthebet=50 the0bet=60 dthebet=2 phialpha=60.0 delr=15.0 & delb=4.0 PHIALPHA_RIGHT=47.0 PHIALPHA_LEFT=44.0 NGRIDT=400 T0=200 DELTAT=1