CreatePredAlphaCost pred_alpha2k alpha11 T0257.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0257.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 3 near_backbone 3 way_back 3 dry5 5 dry6.5 6 dry8 5 dry12 2 \ phobic_fit 2 \ sidechain 6 \ bystroff 5 \ soft_clashes 10 backbone_clashes 2 \ break 20 \ pred_alpha2k 3 \ pred_alpha04 3 \ constraints 10 \ hbond_geom 1 \ hbond_geom_backbone 1 \ hbond_geom_beta 5 \ hbond_geom_beta_pair 10 # from T0257.t04.dssp-ehl2.constraints HelixConstraint P67 S74 6.469 StrandConstraint M5 I9 6.203 StrandConstraint I25 S31 6.596 StrandConstraint V51 V53 6.743 StrandConstraint L56 Y61 6.497 StrandConstraint A82 K88 8.21 StrandConstraint V95 L102 7.435 StrandConstraint V105 S111 7.016 StrandConstraint T122 P138 6.423 StrandConstraint K151 Y152 6.093 # file generated by validate2rr # based on 280 inputs # using the /projects/compbio/experiments/protein-predict/casp6/networks/NN280-240n300.net.28 network # limited to score of .30 or greater. # The score is an approximation of the probability Constraint V110.CB Y136.CB -10. 7.0 14.0 0.655 Constraint L98.CB Y136.CB -10. 7.0 14.0 0.582 Constraint D18.CB N68.CB -10. 7.0 14.0 0.573 Constraint V95.CB G147.CA -10. 7.0 14.0 0.514 Constraint N68.CB R87.CB -10. 7.0 14.0 0.514 Constraint D18.CB R87.CB -10. 7.0 14.0 0.502 Constraint E24.CB R87.CB -10. 7.0 14.0 0.495 Constraint N68.CB A141.CB -10. 7.0 14.0 0.486 Constraint N68.CB Y136.CB -10. 7.0 14.0 0.486 Constraint K77.CB V95.CB -10. 7.0 14.0 0.472 Constraint W32.CB R87.CB -10. 7.0 14.0 0.457 Constraint V53.CB F129.CB -10. 7.0 14.0 0.445 Constraint K77.CB A141.CB -10. 7.0 14.0 0.433 Constraint C73.CB V105.CB -10. 7.0 14.0 0.43 Constraint S16.CB G76.CA -10. 7.0 14.0 0.427 Constraint W32.CB K88.CB -10. 7.0 14.0 0.412 Constraint D55.CB G147.CA -10. 7.0 14.0 0.401 Constraint E15.CB R87.CB -10. 7.0 14.0 0.401 Constraint G91.CA Q139.CB -10. 7.0 14.0 0.392 bonus Constraint S16.CB D26.CB -10. 7.0 14.0 0.392 bonus Constraint V95.CB A141.CB -10. 7.0 14.0 0.381 bonus Constraint C73.CB Y136.CB -10. 7.0 14.0 0.378 bonus Constraint E15.CB G147.CA -10. 7.0 14.0 0.378 bonus Constraint Q36.CB C73.CB -10. 7.0 14.0 0.372 bonus Constraint V3.CB N68.CB -10. 7.0 14.0 0.372 bonus Constraint E15.CB D55.CB -10. 7.0 14.0 0.367 bonus Constraint P67.CB K88.CB -10. 7.0 14.0 0.358 bonus Constraint V105.CB Y136.CB -10. 7.0 14.0 0.356 bonus Constraint K77.CB G147.CA -10. 7.0 14.0 0.339 bonus Constraint G10.CA R87.CB -10. 7.0 14.0 0.337 bonus Constraint V53.CB R87.CB -10. 7.0 14.0 0.334 bonus Constraint S115.CB G147.CA -10. 7.0 14.0 0.329 bonus Constraint V95.CB V105.CB -10. 7.0 14.0 0.321 bonus Constraint Y79.CB Y136.CB -10. 7.0 14.0 0.31 bonus Constraint S16.CB V51.CB -10. 7.0 14.0 0.31 bonus Constraint V12.CB V51.CB -10. 7.0 14.0 0.305 bonus Constraint N68.CB V110.CB -10. 7.0 14.0 0.303 bonus # The following sheet constraints are (probably) inconsistent # from align1.sheets SheetConstraint Y79 K83 S111 V107 hbond A82 SheetConstraint K83 A89 L98 E92 hbond L84 SheetConstraint V107 G113 A130 N124 hbond V107 # from align2.sheets SheetConstraint D55 T59 T85 Q81 hbond S57 SheetConstraint S108 S115 F129 T122 hbond S108 SheetConstraint E123 F129 P138 V132 hbond N124 SheetConstraint A130 D135 Y152 G147 hbond V132 #from align3.sheets SheetConstraint H41 G44 I62 T59 hbond G43 SheetConstraint G45 A48 T59 L56 hbond G46 SheetConstraint Q54 Y61 C73 T66 hbond D55 SheetConstraint N68 S75 N128 L121 hbond L69 SheetConstraint T112 S115 T126 E123 hbond T112 #from try1-opt2.sheets SheetConstraint H78 R87 I100 G91 hbond Y79 SheetConstraint V105 V107 R120 E118 hbond L106 SheetConstraint G117 R120 P138 D135 hbond E118 SheetConstraint A130 D135 V150 K145 hbond V132