CreatePredAlphaCost pred_alpha2k alpha11 T0238.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0238.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 20 near_backbone 5 way_back 5 dry5 20 dry6.5 30 dry8 15 dry12 5 \ phobic_fit 4 \ sidechain 1 \ bystroff 5 \ soft_clashes 20 backbone_clashes 2 \ break 40 \ pred_alpha2k 1 \ pred_alpha04 6 \ constraints 10 \ known_ssbond 1 \ hbond_geom 1 \ hbond_geom_backbone 2 \ # hbond_geom_beta 4 \ # hbond_geom_beta_pair 15 \ // Add the following for extra-cellular proteins: # maybe_ssbond 0.5 SSBOND C22 C25 1 # from T0238.t04.dssp-ehl2.constraints HelixConstraint I68 I79 7.353 HelixConstraint K81 K87 7.073 HelixConstraint I94 K96 6.083 HelixConstraint A98 K99 6.316 HelixConstraint I120 K125 6.355 HelixConstraint K136 K150 6.947 HelixConstraint Y156 N183 6.95 HelixConstraint Q190 Y221 7.552 HelixConstraint E229 Y239 7.118 Constraint I72.CB I158.CB -5.0 3.0 7.0 7 Constraint L76.CB L162.CB -5.0 3.0 7.0 7 Constraint I79.CB S167.CB -5.0 3.0 7.0 7 Constraint L210.CB I170.CB -5.0 3.0 7.0 7 Constraint L214.CB I163.CB -5.0 3.0 7.0 5 Constraint I200.CB L178.CB -5.0 3.0 7.0 7 Constraint G160.CA L6.CB -5.0 3.0 7.0 5 Constraint Y164.CB I9.CB -5.0 3.0 7.0 7 Constraint S167.CB I13.CB -5.0 3.0 7.0 7 # file generated by validate2rr # based on 280 inputs # using the NN280-240n300.net.28 network # limited to score of .30 or greater. # The score is an approximation of the probability Constraint E154.CB F250.CB -10. 7.0 14.0 0.808 Constraint E154.CB Y239.CB -10. 7.0 14.0 0.561 Constraint K77.CB Y239.CB -10. 7.0 14.0 0.424 Constraint Y239.CB F250.CB -10. 7.0 14.0 0.356 bonus Constraint L132.CB L142.CB -10. 7.0 14.0 0.321 bonus Constraint Y156.CB L188.CB -10. 7.0 14.0 0.308 bonus