CreatePredAlphaCost pred_alpha2k alpha11 T0246.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0246.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 10 near_backbone 3 way_back 3 dry5 10 dry6.5 15 dry8 10 dry12 5 \ phobic_fit 2 \ sidechain 6 \ bystroff 5 \ soft_clashes 20 backbone_clashes 2 \ break 50 \ pred_alpha2k 1 \ pred_alpha04 6 \ constraints 10 \ hbond_geom 1 \ hbond_geom_backbone 1 \ hbond_geom_beta 5 \ hbond_geom_beta_pair 10 // Add the following for extra-cellular proteins: # known_ssbond 0.5 # and put ssbond command in constraints file # maybe_ssbond 0.5 // For comparative modeling, increase weight of break and hbond_geom... // put any constraints here, such as helix constraints, strand constraints, // sheet constraints, ssbonds, hbonds, or just arbitrary pairs of atoms. # from T0246.t04.dssp-ehl2.constraints HelixConstraint P13 K29 7.124 HelixConstraint G43 R48 7.155 HelixConstraint E55 E63 7.771 HelixConstraint G90 L98 6.423 HelixConstraint R161 K176 8.144 HelixConstraint M195 E207 6.21 HelixConstraint Y217 L227 6.128 HelixConstraint I244 A250 6.244 HelixConstraint P288 H301 6.671 HelixConstraint V306 E321 8.826 HelixConstraint T339 I353 6.776 StrandConstraint K2 L6 6.683 StrandConstraint E35 F38 6.549 StrandConstraint I67 L69 7.257 StrandConstraint L130 E135 6.223 StrandConstraint G153 Y159 6.389 StrandConstraint V182 V185 7.533 StrandConstraint V211 T214 6.523 # extended based on t04.alpha and t2k.dssp-ehl2 StrandConstraint V234 T237 6.664 # 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 .35 or greater or # the best 10 scores # The score is an approximation of the probability Constraint A4.CB A19.CB -10. 7.0 12.0 0.72 bonus Constraint L6.CB I104.CB -10. 7.0 12.0 0.705 bonus Constraint V5.CB A19.CB -10. 7.0 12.0 0.661 bonus Constraint T132.CB Y141.CB -10. 7.0 12.0 0.653 bonus Constraint K187.CB N239.CB -10. 7.0 12.0 0.65 bonus Constraint F241.CB S276.CB -10. 7.0 12.0 0.633 bonus Constraint A221.CB T237.CB -10. 7.0 12.0 0.633 bonus Constraint L6.CB L245.CB -10. 7.0 12.0 0.628 bonus Constraint V190.CB N239.CB -10. 7.0 12.0 0.608 bonus Constraint A66.CB I226.CB -10. 7.0 12.0 0.602 bonus Constraint L6.CB C61.CB -10. 7.0 12.0 0.588 bonus Constraint L6.CB S261.CB -10. 7.0 12.0 0.57 bonus Constraint A64.CB R198.CB -10. 7.0 12.0 0.555 bonus Constraint D186.CB N239.CB -10. 7.0 12.0 0.552 bonus Constraint F68.CB P260.CB -10. 7.0 12.0 0.549 bonus Constraint V5.CB E18.CB -10. 7.0 12.0 0.549 bonus Constraint Y141.CB N239.CB -10. 7.0 12.0 0.546 bonus Constraint G73.CA R198.CB -10. 7.0 12.0 0.543 bonus Constraint D186.CB H215.CB -10. 7.0 12.0 0.537 bonus Constraint L69.CB W197.CB -10. 7.0 12.0 0.537 bonus Constraint Y142.CB I158.CB -10. 7.0 12.0 0.531 bonus Constraint V5.CB L20.CB -10. 7.0 12.0 0.525 bonus Constraint G90.CA Y138.CB -10. 7.0 12.0 0.519 bonus Constraint V133.CB V218.CB -10. 7.0 12.0 0.517 bonus Constraint L6.CB Y141.CB -10. 7.0 12.0 0.511 bonus Constraint F241.CB S294.CB -10. 7.0 12.0 0.505 bonus Constraint A66.CB V133.CB -10. 7.0 12.0 0.498 bonus Constraint L23.CB A64.CB -10. 7.0 12.0 0.495 bonus Constraint Y159.CB H215.CB -10. 7.0 12.0 0.492 bonus Constraint R134.CB N239.CB -10. 7.0 12.0 0.486 bonus Constraint C61.CB S184.CB -10. 7.0 12.0 0.486 bonus Constraint V133.CB V185.CB -10. 7.0 12.0 0.483 bonus Constraint Y138.CB I158.CB -10. 7.0 12.0 0.475 bonus Constraint L6.CB L259.CB -10. 7.0 12.0 0.475 bonus Constraint S184.CB H215.CB -10. 7.0 12.0 0.472 bonus Constraint V5.CB L23.CB -10. 7.0 12.0 0.466 bonus Constraint I104.CB L293.CB -10. 7.0 12.0 0.463 bonus Constraint V72.CB I167.CB -10. 7.0 12.0 0.463 bonus Constraint A19.CB F68.CB -10. 7.0 12.0 0.463 bonus Constraint V164.CB A222.CB -10. 7.0 12.0 0.46 bonus Constraint G43.CA D155.CB -10. 7.0 12.0 0.46 bonus Constraint L6.CB M298.CB -10. 7.0 12.0 0.46 bonus Constraint V201.CB L213.CB -10. 7.0 12.0 0.457 bonus Constraint N189.CB M240.CB -10. 7.0 12.0 0.457 bonus Constraint V133.CB I244.CB -10. 7.0 12.0 0.457 bonus Constraint F68.CB S249.CB -10. 7.0 12.0 0.457 bonus Constraint W197.CB A222.CB -10. 7.0 12.0 0.454 bonus Constraint Y159.CB D186.CB -10. 7.0 12.0 0.454 bonus Constraint V133.CB I167.CB -10. 7.0 12.0 0.454 bonus Constraint V201.CB L236.CB -10. 7.0 12.0 0.451 bonus Constraint A66.CB W197.CB -10. 7.0 12.0 0.451 bonus Constraint G43.CA Y159.CB -10. 7.0 12.0 0.451 bonus Constraint A222.CB I235.CB -10. 7.0 12.0 0.448 bonus Constraint V164.CB A221.CB -10. 7.0 12.0 0.448 bonus Constraint L69.CB P272.CB -10. 7.0 12.0 0.448 bonus Constraint P52.CB V140.CB -10. 7.0 12.0 0.448 bonus Constraint L236.CB L259.CB -10. 7.0 12.0 0.445 bonus Constraint L6.CB I41.CB -10. 7.0 12.0 0.445 bonus Constraint K176.CB D210.CB -10. 7.0 12.0 0.442 bonus Constraint M157.CB D186.CB -10. 7.0 12.0 0.442 bonus Constraint L245.CB P260.CB -10. 7.0 12.0 0.439 bonus Constraint N189.CB N239.CB -10. 7.0 12.0 0.439 bonus Constraint V133.CB L245.CB -10. 7.0 12.0 0.439 bonus Constraint L6.CB L69.CB -10. 7.0 12.0 0.439 bonus Constraint V5.CB S261.CB -10. 7.0 12.0 0.439 bonus Constraint N220.CB P278.CB -10. 7.0 12.0 0.436 bonus Constraint P52.CB D155.CB -10. 7.0 12.0 0.436 bonus Constraint I158.CB S193.CB -10. 7.0 12.0 0.433 bonus Constraint G73.CA W197.CB -10. 7.0 12.0 0.433 bonus Constraint V72.CB G90.CA -10. 7.0 12.0 0.433 bonus Constraint L69.CB F241.CB -10. 7.0 12.0 0.427 bonus Constraint W197.CB A221.CB -10. 7.0 12.0 0.424 bonus Constraint V190.CB V234.CB -10. 7.0 12.0 0.424 bonus Constraint L136.CB S184.CB -10. 7.0 12.0 0.424 bonus Constraint P52.CB Y142.CB -10. 7.0 12.0 0.424 bonus Constraint A221.CB I244.CB -10. 7.0 12.0 0.421 bonus Constraint L6.CB Y270.CB -10. 7.0 12.0 0.421 bonus Constraint V140.CB M157.CB -10. 7.0 12.0 0.415 bonus Constraint Y138.CB Y159.CB -10. 7.0 12.0 0.415 bonus Constraint A19.CB I292.CB -10. 7.0 12.0 0.415 bonus Constraint V164.CB V201.CB -10. 7.0 12.0 0.412 bonus Constraint D155.CB S263.CB -10. 7.0 12.0 0.407 bonus Constraint V72.CB I104.CB -10. 7.0 12.0 0.407 bonus Constraint V22.CB L245.CB -10. 7.0 12.0 0.407 bonus Constraint V5.CB I244.CB -10. 7.0 12.0 0.407 bonus Constraint V190.CB A222.CB -10. 7.0 12.0 0.404 bonus Constraint V185.CB M297.CB -10. 7.0 12.0 0.401 bonus Constraint I104.CB Y141.CB -10. 7.0 12.0 0.401 bonus Constraint A222.CB S249.CB -10. 7.0 12.0 0.398 bonus Constraint N220.CB T238.CB -10. 7.0 12.0 0.398 bonus Constraint A64.CB L136.CB -10. 7.0 12.0 0.398 bonus Constraint L6.CB Y101.CB -10. 7.0 12.0 0.398 bonus Constraint D186.CB T238.CB -10. 7.0 12.0 0.395 bonus Constraint F172.CB Y208.CB -10. 7.0 12.0 0.395 bonus Constraint L69.CB S261.CB -10. 7.0 12.0 0.395 bonus Constraint V22.CB L225.CB -10. 7.0 12.0 0.392 bonus Constraint A222.CB N239.CB -10. 7.0 12.0 0.389 bonus Constraint A222.CB I244.CB -10. 7.0 12.0 0.386 bonus Constraint L136.CB L259.CB -10. 7.0 12.0 0.386 bonus Constraint N103.CB V190.CB -10. 7.0 12.0 0.386 bonus Constraint L23.CB L136.CB -10. 7.0 12.0 0.386 bonus Constraint L6.CB A262.CB -10. 7.0 12.0 0.386 bonus Constraint V185.CB T237.CB -10. 7.0 12.0 0.384 bonus Constraint L245.CB M298.CB -10. 7.0 12.0 0.378 bonus Constraint I235.CB A277.CB -10. 7.0 12.0 0.378 bonus Constraint V218.CB F232.CB -10. 7.0 12.0 0.378 bonus Constraint V201.CB A222.CB -10. 7.0 12.0 0.378 bonus Constraint L136.CB A273.CB -10. 7.0 12.0 0.378 bonus Constraint L6.CB L136.CB -10. 7.0 12.0 0.378 bonus Constraint L225.CB L293.CB -10. 7.0 12.0 0.375 bonus Constraint A188.CB T238.CB -10. 7.0 12.0 0.375 bonus Constraint A102.CB L136.CB -10. 7.0 12.0 0.375 bonus Constraint I67.CB I226.CB -10. 7.0 12.0 0.372 bonus Constraint L6.CB N239.CB -10. 7.0 12.0 0.372 bonus Constraint V201.CB I244.CB -10. 7.0 12.0 0.37 bonus Constraint S137.CB A171.CB -10. 7.0 12.0 0.37 bonus Constraint I104.CB S246.CB -10. 7.0 12.0 0.37 bonus Constraint C61.CB L136.CB -10. 7.0 12.0 0.37 bonus Constraint N220.CB N239.CB -10. 7.0 12.0 0.367 bonus Constraint A66.CB Q291.CB -10. 7.0 12.0 0.367 bonus Constraint V185.CB T238.CB -10. 7.0 12.0 0.364 bonus Constraint V185.CB A221.CB -10. 7.0 12.0 0.364 bonus Constraint I167.CB L236.CB -10. 7.0 12.0 0.364 bonus Constraint L69.CB Q291.CB -10. 7.0 12.0 0.364 bonus Constraint W197.CB V211.CB -10. 7.0 12.0 0.361 bonus Constraint S193.CB F241.CB -10. 7.0 12.0 0.361 bonus Constraint A171.CB L245.CB -10. 7.0 12.0 0.361 bonus Constraint V140.CB Y159.CB -10. 7.0 12.0 0.361 bonus Constraint L69.CB M342.CB -10. 7.0 12.0 0.361 bonus Constraint L69.CB L295.CB -10. 7.0 12.0 0.361 bonus