CreatePredAlphaCost pred_alpha2k alpha11 T0222.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0222.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 10 near_backbone 3 way_back 3 dry5 10 dry6.5 20 dry8 10 dry12 5 \ phobic_fit 2 \ sidechain 6 \ bystroff 5 \ soft_clashes 20 backbone_clashes 2 \ break 50 \ pred_alpha2k 2 \ pred_alpha04 5 \ constraints 10 \ hbond_geom 1 \ hbond_geom_backbone 1 \ hbond_geom_beta 5 \ hbond_geom_beta_pair 15 #from T0222.t04.dssp-ehl2.constraints StrandConstraint A3 I6 0.7514 # s1 StrandConstraint V17 E22 0.7023 # s2 HelixConstraint L31 E43 0.9221 # adding the needed strand StrandConstraint A48 Q52 0.7 # s2b HelixConstraint L80 Q82 0.6411 HelixConstraint A88 E100 0.8452 StrandConstraint I104 S107 0.6812 # s3 HelixConstraint E112 S120 0.6339 StrandConstraint A125 I128 0.6263 # s4 HelixConstraint P137 R144 0.8686 StrandConstraint M149 S152 0.6458 # s5 HelixConstraint I158 A170 0.9152 StrandConstraint I176 H180 0.675 # s6 HelixConstraint L194 A203 0.6472 StrandConstraint V208 G210 0.6047 # s7 HelixConstraint P222 R227 0.7274 StrandConstraint K231 K235 0.619 # s8 HelixConstraint P254 K272 0.7183 HelixConstraint V279 L283 0.6495 HelixConstraint I294 F301 0.6507 StrandConstraint I306 T309 0.6939 # s9 StrandConstraint I323 L326 0.6112 # s10 HelixConstraint P337 T344 0.8096 StrandConstraint R348 V350 0.6141 # s11 HelixConstraint W361 I364 0.6184 # try1 sheets: basically very good SheetConstraint F4 I6 V11 K9 hbond F4 10.0 # s1a,s1b SheetConstraint V17 I20 L232 K235 hbond I233 10.0 # s2||s8 # we need a way to connect s2,s2c (where s2c is really SheetConstraint I19 E22 A48 F51 hbond I20 10.0 # s2||s2b # SheetConstraint L66 T69 I104 S107 hbond Y67 # s2c||s3 SheetConstraint V49 Q52 I104 S107 hbond F51 10.0 # s2b||s3 SheetConstraint F105 T108 A125 I128 hbond L106 10.0 # s3||s4 SheetConstraint A125 A129 P148 S152 hbond F126 10.0 # s4||s5 SheetConstraint P148 T153 Q175 H180 hbond M149 10.0 # s5||s6 SheetConstraint A177 H180 E206 I209 hbond I178 10.0 # s6||s7 SheetConstraint A207 G210 K231 E234 hbond I209 10.0 # s7||s8 # SheetConstraint A251 L252 E234 K235 hbond L252 # s8b(?)||s8 # 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 L37.CB I209.CB -10. 7.0 14.0 0.679 Constraint L37.CB F211.CB -10. 7.0 14.0 0.671 Constraint S152.CB C181.CB -10. 7.0 14.0 0.661 Constraint F126.CB F211.CB -10. 7.0 14.0 0.661 Constraint A230.CB I264.CB -10. 7.0 14.0 0.655 Constraint A41.CB S130.CB -10. 7.0 14.0 0.628 Constraint S130.CB C181.CB -10. 7.0 14.0 0.622 Constraint S130.CB G210.CA -10. 7.0 14.0 0.599 bonus Constraint N26.CB S130.CB -10. 7.0 14.0 0.599 bonus Constraint M179.CB F211.CB -10. 7.0 14.0 0.596 bonus Constraint C98.CB C181.CB -10. 7.0 14.0 0.593 bonus Constraint I19.CB S212.CB -10. 7.0 14.0 0.582 bonus Constraint I38.CB G210.CA -10. 7.0 14.0 0.561 bonus Constraint S130.CB A230.CB -10. 7.0 14.0 0.558 bonus Constraint S130.CB H180.CB -10. 7.0 14.0 0.558 bonus Constraint I38.CB S130.CB -10. 7.0 14.0 0.558 bonus Constraint F126.CB G210.CA -10. 7.0 14.0 0.552 bonus Constraint A34.CB L252.CB -10. 7.0 14.0 0.552 bonus Constraint S130.CB F211.CB -10. 7.0 14.0 0.531 bonus Constraint F211.CB A230.CB -10. 7.0 14.0 0.525 bonus Constraint M179.CB G210.CA -10. 7.0 14.0 0.525 bonus Constraint C181.CB G210.CA -10. 7.0 14.0 0.517 bonus Constraint H27.CB Y131.CB -10. 7.0 14.0 0.517 bonus Constraint I133.CB V182.CB -10. 7.0 14.0 0.514 bonus Constraint S107.CB S130.CB -10. 7.0 14.0 0.511 bonus Constraint A41.CB L118.CB -10. 7.0 14.0 0.511 bonus Constraint S107.CB G210.CA -10. 7.0 14.0 0.498 bonus Constraint L139.CB S212.CB -10. 7.0 14.0 0.492 bonus Constraint A129.CB C181.CB -10. 7.0 14.0 0.486 bonus Constraint A41.CB V161.CB -10. 7.0 14.0 0.486 bonus Constraint L37.CB S130.CB -10. 7.0 14.0 0.486 bonus Constraint I168.CB I178.CB -10. 7.0 14.0 0.483 bonus Constraint C98.CB M179.CB -10. 7.0 14.0 0.483 bonus Constraint V161.CB L200.CB -10. 7.0 14.0 0.475 bonus Constraint H27.CB S130.CB -10. 7.0 14.0 0.472 bonus Constraint A177.CB L232.CB -10. 7.0 14.0 0.469 bonus Constraint I150.CB H180.CB -10. 7.0 14.0 0.466 bonus Constraint N26.CB H180.CB -10. 7.0 14.0 0.466 bonus Constraint F211.CB I264.CB -10. 7.0 14.0 0.463 bonus Constraint L37.CB V161.CB -10. 7.0 14.0 0.463 bonus Constraint V109.CB K127.CB -10. 7.0 14.0 0.457 bonus Constraint V109.CB F211.CB -10. 7.0 14.0 0.454 bonus Constraint I38.CB C98.CB -10. 7.0 14.0 0.454 bonus Constraint S107.CB F211.CB -10. 7.0 14.0 0.451 bonus