CreatePredAlphaCost pred_alpha2k alpha11 T0279.t2k.alpha.rdb 2 alpha alpha_prev sum CreatePredAlphaCost pred_alpha04 alpha11 T0279.t04.alpha.rdb 2 alpha alpha_prev sum SetCost wet6.5 5 near_backbone 5 way_back 5 dry5 15 dry6.5 20 dry8 15 dry12 5 \ phobic_fit 2 \ sidechain 1 \ 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 // 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 T0279.t2k.dssp-ehl2.constraints HelixConstraint K19 K28 0.6478 HelixConstraint Y49 L56 0.6393 HelixConstraint G68 A80 0.7545 HelixConstraint D84 L89 0.6348 HelixConstraint A99 E107 0.7463 HelixConstraint S120 L126 0.7832 HelixConstraint P144 E152 0.8323 HelixConstraint I172 L180 0.7939 HelixConstraint A192 K203 0.6882 HelixConstraint R209 L212 0.729 HelixConstraint V224 E231 0.7809 HelixConstraint L245 K258 0.6938 StrandConstraint R10 Y13 0.839 StrandConstraint P33 F36 0.6286 StrandConstraint V38 E42 0.6149 StrandConstraint L62 A65 0.9076 StrandConstraint R94 A96 0.8407 StrandConstraint V133 Q137 0.6067 StrandConstraint R156 R164 0.6441 StrandConstraint A186 F189 0.8953 StrandConstraint A218 A220 0.8842 StrandConstraint F237 Y238 0.7207 #from T0279.t04.dssp-ehl2.constraints HelixConstraint K19 K28 7.226 HelixConstraint P47 L56 7.485 HelixConstraint G68 A80 7.705 HelixConstraint P88 L89 6.393 HelixConstraint A99 E107 8.9 HelixConstraint S120 L126 6.926 HelixConstraint P144 E152 8.712 HelixConstraint I172 L180 8.454 HelixConstraint A192 G201 7.42 HelixConstraint K206 N213 7.147 HelixConstraint V224 E231 7.076 HelixConstraint L245 K258 6.964 StrandConstraint R10 Y13 7.999 StrandConstraint P33 K43 6.015 StrandConstraint L62 A65 8.939 StrandConstraint R94 A96 7.674 StrandConstraint V133 Q137 6.145 StrandConstraint R156 M161 6.868 StrandConstraint R164 H165 6.704 StrandConstraint A186 F189 8.929 StrandConstraint K217 V221 6.534 StrandConstraint F237 V239 6.187 # 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 H165.CB I193.CB -10. 7.0 14.0 0.952 Constraint L138.CB A192.CB -10. 7.0 14.0 0.952 Constraint G68.CA Y139.CB -10. 7.0 14.0 0.94 Constraint T67.CB V221.CB -10. 7.0 14.0 0.909 Constraint T66.CB A220.CB -10. 7.0 14.0 0.89 Constraint F189.CB T225.CB -10. 7.0 14.0 0.877 Constraint R97.CB Q194.CB -10. 7.0 14.0 0.874 Constraint Y139.CB A192.CB -10. 7.0 14.0 0.869 Constraint R97.CB L138.CB -10. 7.0 14.0 0.866 Constraint T67.CB Q137.CB -10. 7.0 14.0 0.852 Constraint R97.CB Y139.CB -10. 7.0 14.0 0.85 Constraint G68.CA L245.CB -10. 7.0 14.0 0.847 Constraint T67.CB Q194.CB -10. 7.0 14.0 0.844 Constraint T66.CB V221.CB -10. 7.0 14.0 0.844 Constraint A192.CB A228.CB -10. 7.0 14.0 0.842 Constraint H165.CB A192.CB -10. 7.0 14.0 0.839 Constraint T66.CB R97.CB -10. 7.0 14.0 0.832 Constraint T66.CB Q137.CB -10. 7.0 14.0 0.827 Constraint T67.CB R97.CB -10. 7.0 14.0 0.822 Constraint F22.CB V190.CB -10. 7.0 14.0 0.82 Constraint G68.CA L138.CB -10. 7.0 14.0 0.813 Constraint I193.CB V224.CB -10. 7.0 14.0 0.809 Constraint A65.CB V221.CB -10. 7.0 14.0 0.809 Constraint L62.CB T225.CB -10. 7.0 14.0 0.808 Constraint L62.CB L95.CB -10. 7.0 14.0 0.796 Constraint V195.CB G222.CA -10. 7.0 14.0 0.794 Constraint T66.CB G222.CA -10. 7.0 14.0 0.794 Constraint R94.CB H113.CB -10. 7.0 14.0 0.792 Constraint Y13.CB A96.CB -10. 7.0 14.0 0.788 Constraint Q194.CB V221.CB -10. 7.0 14.0 0.786 Constraint G70.CA L136.CB -10. 7.0 14.0 0.784 Constraint G70.CA V195.CB -10. 7.0 14.0 0.776 Constraint A14.CB Q194.CB -10. 7.0 14.0 0.776 Constraint T67.CB A101.CB -10. 7.0 14.0 0.772 Constraint T66.CB T225.CB -10. 7.0 14.0 0.772 Constraint A65.CB L74.CB -10. 7.0 14.0 0.772 Constraint A14.CB L138.CB -10. 7.0 14.0 0.765 Constraint K121.CB L143.CB -10. 7.0 14.0 0.761 Constraint H165.CB E243.CB -10. 7.0 14.0 0.759 Constraint T67.CB L138.CB -10. 7.0 14.0 0.757 Constraint Y139.CB I193.CB -10. 7.0 14.0 0.752 Constraint Y139.CB Q194.CB -10. 7.0 14.0 0.75 Constraint R97.CB Q137.CB -10. 7.0 14.0 0.743 Constraint V38.CB G98.CA -10. 7.0 14.0 0.741 Constraint T67.CB L245.CB -10. 7.0 14.0 0.739 Constraint R18.CB V69.CB -10. 7.0 14.0 0.739 Constraint L62.CB Q194.CB -10. 7.0 14.0 0.736 Constraint H165.CB Q194.CB -10. 7.0 14.0 0.732 Constraint R97.CB A192.CB -10. 7.0 14.0 0.732 Constraint T67.CB G78.CA -10. 7.0 14.0 0.727 Constraint A65.CB Q137.CB -10. 7.0 14.0 0.727 Constraint Q137.CB V195.CB -10. 7.0 14.0 0.722 Constraint T66.CB S120.CB -10. 7.0 14.0 0.722 Constraint A14.CB R97.CB -10. 7.0 14.0 0.722 Constraint K141.CB H165.CB -10. 7.0 14.0 0.715 Constraint T67.CB Y139.CB -10. 7.0 14.0 0.715 Constraint H165.CB V224.CB -10. 7.0 14.0 0.705 Constraint A65.CB G222.CA -10. 7.0 14.0 0.705 Constraint L62.CB R94.CB -10. 7.0 14.0 0.7 Constraint L145.CB H165.CB -10. 7.0 14.0 0.697 Constraint L35.CB V195.CB -10. 7.0 14.0 0.697 Constraint A134.CB V190.CB -10. 7.0 14.0 0.692 Constraint L62.CB A134.CB -10. 7.0 14.0 0.692 Constraint L35.CB Q194.CB -10. 7.0 14.0 0.692 Constraint A218.CB L229.CB -10. 7.0 14.0 0.687 Constraint S120.CB L138.CB -10. 7.0 14.0 0.687 Constraint R97.CB V221.CB -10. 7.0 14.0 0.684 Constraint Q39.CB T67.CB -10. 7.0 14.0 0.684 Constraint L74.CB T225.CB -10. 7.0 14.0 0.682 Constraint F31.CB L62.CB -10. 7.0 14.0 0.682 Constraint H165.CB T225.CB -10. 7.0 14.0 0.679 Constraint L74.CB F189.CB -10. 7.0 14.0 0.679 Constraint P142.CB V224.CB -10. 7.0 14.0 0.677 Constraint S120.CB Q194.CB -10. 7.0 14.0 0.669 Constraint L74.CB G222.CA -10. 7.0 14.0 0.669 Constraint L74.CB L179.CB -10. 7.0 14.0 0.669 Constraint G98.CA Q194.CB -10. 7.0 14.0 0.666 Constraint V69.CB L245.CB -10. 7.0 14.0 0.666 Constraint Q39.CB Q194.CB -10. 7.0 14.0 0.661 Constraint R97.CB A191.CB -10. 7.0 14.0 0.658 Constraint V69.CB G118.CA -10. 7.0 14.0 0.655 Constraint Q39.CB R97.CB -10. 7.0 14.0 0.655 Constraint Q137.CB F189.CB -10. 7.0 14.0 0.653 Constraint A96.CB V195.CB -10. 7.0 14.0 0.653 Constraint T41.CB V69.CB -10. 7.0 14.0 0.653 Constraint Q137.CB T225.CB -10. 7.0 14.0 0.65 Constraint V69.CB Y139.CB -10. 7.0 14.0 0.65 Constraint G68.CA R97.CB -10. 7.0 14.0 0.647 Constraint A14.CB Y139.CB -10. 7.0 14.0 0.647 Constraint V195.CB A220.CB -10. 7.0 14.0 0.636 Constraint L143.CB V224.CB -10. 7.0 14.0 0.628 Constraint Q137.CB A192.CB -10. 7.0 14.0 0.628 Constraint S120.CB V221.CB -10. 7.0 14.0 0.625 Constraint L160.CB L219.CB -10. 7.0 14.0 0.619 Constraint T66.CB L245.CB -10. 7.0 14.0 0.619 Constraint L138.CB I193.CB -10. 7.0 14.0 0.616 Constraint Q137.CB P162.CB -10. 7.0 14.0 0.616 Constraint L95.CB V190.CB -10. 7.0 14.0 0.614 Constraint F22.CB V195.CB -10. 7.0 14.0 0.608 Constraint G68.CA I193.CB -10. 7.0 14.0 0.605 Constraint I193.CB R244.CB -10. 7.0 14.0 0.599 bonus Constraint V195.CB V221.CB -10. 7.0 14.0 0.596 bonus Constraint L35.CB V190.CB -10. 7.0 14.0 0.596 bonus Constraint A192.CB V224.CB -10. 7.0 14.0 0.591 bonus Constraint T67.CB I193.CB -10. 7.0 14.0 0.591 bonus Constraint L74.CB V195.CB -10. 7.0 14.0 0.588 bonus Constraint L62.CB A96.CB -10. 7.0 14.0 0.588 bonus Constraint G140.CA H165.CB -10. 7.0 14.0 0.585 bonus Constraint A96.CB V221.CB -10. 7.0 14.0 0.582 bonus Constraint F189.CB A220.CB -10. 7.0 14.0 0.57 bonus Constraint L146.CB A186.CB -10. 7.0 14.0 0.57 bonus Constraint L136.CB V190.CB -10. 7.0 14.0 0.57 bonus Constraint L62.CB H165.CB -10. 7.0 14.0 0.57 bonus Constraint S120.CB Q137.CB -10. 7.0 14.0 0.567 bonus Constraint R97.CB I193.CB -10. 7.0 14.0 0.564 bonus Constraint P33.CB L160.CB -10. 7.0 14.0 0.564 bonus Constraint L74.CB Q137.CB -10. 7.0 14.0 0.561 bonus Constraint G70.CA L245.CB -10. 7.0 14.0 0.561 bonus Constraint T66.CB V195.CB -10. 7.0 14.0 0.561 bonus Constraint T66.CB A101.CB -10. 7.0 14.0 0.561 bonus Constraint L124.CB H165.CB -10. 7.0 14.0 0.555 bonus Constraint Y13.CB V184.CB -10. 7.0 14.0 0.555 bonus Constraint T41.CB L138.CB -10. 7.0 14.0 0.549 bonus Constraint I193.CB K203.CB -10. 7.0 14.0 0.546 bonus Constraint L187.CB V221.CB -10. 7.0 14.0 0.543 bonus Constraint G78.CA R97.CB -10. 7.0 14.0 0.543 bonus Constraint A65.CB A218.CB -10. 7.0 14.0 0.543 bonus Constraint P142.CB I193.CB -10. 7.0 14.0 0.54 bonus Constraint S120.CB H165.CB -10. 7.0 14.0 0.54 bonus Constraint T41.CB S120.CB -10. 7.0 14.0 0.54 bonus Constraint I193.CB T225.CB -10. 7.0 14.0 0.534 bonus Constraint V69.CB L138.CB -10. 7.0 14.0 0.534 bonus Constraint L62.CB A135.CB -10. 7.0 14.0 0.534 bonus Constraint Q194.CB R223.CB -10. 7.0 14.0 0.531 bonus Constraint L64.CB L127.CB -10. 7.0 14.0 0.531 bonus Constraint A14.CB L143.CB -10. 7.0 14.0 0.531 bonus Constraint V224.CB E243.CB -10. 7.0 14.0 0.528 bonus Constraint F189.CB V224.CB -10. 7.0 14.0 0.528 bonus Constraint F189.CB A218.CB -10. 7.0 14.0 0.528 bonus Constraint A14.CB V195.CB -10. 7.0 14.0 0.525 bonus Constraint L198.CB L229.CB -10. 7.0 14.0 0.522 bonus Constraint F189.CB G222.CA -10. 7.0 14.0 0.522 bonus Constraint L136.CB L245.CB -10. 7.0 14.0 0.522 bonus Constraint Q137.CB V221.CB -10. 7.0 14.0 0.519 bonus Constraint L136.CB V221.CB -10. 7.0 14.0 0.519 bonus Constraint G70.CA Q137.CB -10. 7.0 14.0 0.519 bonus Constraint V195.CB L229.CB -10. 7.0 14.0 0.517 bonus Constraint I193.CB V221.CB -10. 7.0 14.0 0.517 bonus Constraint Q137.CB G222.CA -10. 7.0 14.0 0.508 bonus Constraint L136.CB A202.CB -10. 7.0 14.0 0.508 bonus Constraint F31.CB V195.CB -10. 7.0 14.0 0.508 bonus Constraint G222.CA L245.CB -10. 7.0 14.0 0.505 bonus Constraint F22.CB L127.CB -10. 7.0 14.0 0.505 bonus Constraint A14.CB A101.CB -10. 7.0 14.0 0.505 bonus Constraint V69.CB L143.CB -10. 7.0 14.0 0.502 bonus Constraint V195.CB T225.CB -10. 7.0 14.0 0.492 bonus Constraint I193.CB E243.CB -10. 7.0 14.0 0.492 bonus Constraint H165.CB G222.CA -10. 7.0 14.0 0.492 bonus Constraint A65.CB V195.CB -10. 7.0 14.0 0.492 bonus Constraint Q39.CB A192.CB -10. 7.0 14.0 0.492 bonus Constraint G116.CA P142.CB -10. 7.0 14.0 0.489 bonus Constraint F22.CB Q194.CB -10. 7.0 14.0 0.489 bonus Constraint F36.CB S120.CB -10. 7.0 14.0 0.486 bonus Constraint V60.CB V234.CB -10. 7.0 14.0 0.483 bonus Constraint L62.CB G222.CA -10. 7.0 14.0 0.481 bonus Constraint G15.CA L138.CB -10. 7.0 14.0 0.481 bonus Constraint V190.CB L245.CB -10. 7.0 14.0 0.478 bonus Constraint L175.CB Q194.CB -10. 7.0 14.0 0.478 bonus Constraint F31.CB P162.CB -10. 7.0 14.0 0.478 bonus Constraint H165.CB R223.CB -10. 7.0 14.0 0.475 bonus Constraint L62.CB F93.CB -10. 7.0 14.0 0.475 bonus Constraint V190.CB V224.CB -10. 7.0 14.0 0.469 bonus Constraint L74.CB V221.CB -10. 7.0 14.0 0.469 bonus Constraint L62.CB A226.CB -10. 7.0 14.0 0.469 bonus Constraint L35.CB L74.CB -10. 7.0 14.0 0.469 bonus Constraint F22.CB F31.CB -10. 7.0 14.0 0.469 bonus Constraint A14.CB I193.CB -10. 7.0 14.0 0.469 bonus Constraint A186.CB V195.CB -10. 7.0 14.0 0.466 bonus Constraint G78.CA Q137.CB -10. 7.0 14.0 0.466 bonus Constraint F31.CB G70.CA -10. 7.0 14.0 0.46 bonus Constraint L127.CB L229.CB -10. 7.0 14.0 0.457 bonus Constraint L74.CB A218.CB -10. 7.0 14.0 0.457 bonus Constraint T67.CB P162.CB -10. 7.0 14.0 0.457 bonus Constraint F22.CB W232.CB -10. 7.0 14.0 0.457 bonus Constraint V11.CB L160.CB -10. 7.0 14.0 0.457 bonus Constraint P142.CB H165.CB -10. 7.0 14.0 0.451 bonus Constraint L138.CB H165.CB -10. 7.0 14.0 0.448 bonus Constraint L35.CB L160.CB -10. 7.0 14.0 0.448 bonus Constraint I193.CB D240.CB -10. 7.0 14.0 0.445 bonus Constraint L62.CB L245.CB -10. 7.0 14.0 0.445 bonus Constraint Q194.CB V224.CB -10. 7.0 14.0 0.442 bonus Constraint I193.CB G222.CA -10. 7.0 14.0 0.442 bonus Constraint T119.CB E243.CB -10. 7.0 14.0 0.442 bonus Constraint R97.CB H165.CB -10. 7.0 14.0 0.442 bonus Constraint L95.CB V115.CB -10. 7.0 14.0 0.442 bonus Constraint L62.CB V190.CB -10. 7.0 14.0 0.442 bonus Constraint L35.CB V115.CB -10. 7.0 14.0 0.439 bonus Constraint L16.CB V69.CB -10. 7.0 14.0 0.439 bonus Constraint V221.CB P236.CB -10. 7.0 14.0 0.436 bonus Constraint S120.CB V224.CB -10. 7.0 14.0 0.436 bonus Constraint T41.CB H165.CB -10. 7.0 14.0 0.436 bonus Constraint P159.CB I193.CB -10. 7.0 14.0 0.433 bonus Constraint Y139.CB M161.CB -10. 7.0 14.0 0.433 bonus Constraint F36.CB V190.CB -10. 7.0 14.0 0.43 bonus Constraint G15.CA V224.CB -10. 7.0 14.0 0.43 bonus Constraint V133.CB V190.CB -10. 7.0 14.0 0.427 bonus Constraint L124.CB L145.CB -10. 7.0 14.0 0.427 bonus Constraint G118.CA R244.CB -10. 7.0 14.0 0.427 bonus Constraint A135.CB H165.CB -10. 7.0 14.0 0.424 bonus Constraint G98.CA A202.CB -10. 7.0 14.0 0.424 bonus Constraint G68.CA T119.CB -10. 7.0 14.0 0.424 bonus Constraint R97.CB A202.CB -10. 7.0 14.0 0.421 bonus Constraint R97.CB V190.CB -10. 7.0 14.0 0.421 bonus Constraint V69.CB H165.CB -10. 7.0 14.0 0.421 bonus Constraint G68.CA Q137.CB -10. 7.0 14.0 0.421 bonus Constraint Y13.CB F22.CB -10. 7.0 14.0 0.421 bonus Constraint M161.CB I193.CB -10. 7.0 14.0 0.418 bonus Constraint P142.CB E243.CB -10. 7.0 14.0 0.418 bonus Constraint K141.CB V224.CB -10. 7.0 14.0 0.418 bonus Constraint L95.CB Q137.CB -10. 7.0 14.0 0.418 bonus Constraint V38.CB L74.CB -10. 7.0 14.0 0.418 bonus Constraint A12.CB L95.CB -10. 7.0 14.0 0.418 bonus Constraint L74.CB R94.CB -10. 7.0 14.0 0.415 bonus Constraint T41.CB G68.CA -10. 7.0 14.0 0.415 bonus Constraint V221.CB L245.CB -10. 7.0 14.0 0.412 bonus Constraint K121.CB H165.CB -10. 7.0 14.0 0.412 bonus Constraint V69.CB Q194.CB -10. 7.0 14.0 0.412 bonus Constraint Q39.CB Y139.CB -10. 7.0 14.0 0.412 bonus Constraint A14.CB T67.CB -10. 7.0 14.0 0.412 bonus Constraint T67.CB L143.CB -10. 7.0 14.0 0.409 bonus Constraint Q39.CB L62.CB -10. 7.0 14.0 0.409 bonus Constraint V9.CB R94.CB -10. 7.0 14.0 0.409 bonus Constraint K141.CB I193.CB -10. 7.0 14.0 0.407 bonus Constraint Y139.CB P162.CB -10. 7.0 14.0 0.407 bonus Constraint L138.CB V224.CB -10. 7.0 14.0 0.407 bonus Constraint A101.CB A220.CB -10. 7.0 14.0 0.407 bonus Constraint T67.CB A192.CB -10. 7.0 14.0 0.407 bonus Constraint L35.CB S120.CB -10. 7.0 14.0 0.407 bonus Constraint F22.CB L35.CB -10. 7.0 14.0 0.407 bonus Constraint A192.CB T225.CB -10. 7.0 14.0 0.404 bonus Constraint G118.CA E243.CB -10. 7.0 14.0 0.404 bonus Constraint K100.CB L245.CB -10. 7.0 14.0 0.404 bonus Constraint L62.CB V224.CB -10. 7.0 14.0 0.404 bonus Constraint D61.CB L95.CB -10. 7.0 14.0 0.404 bonus Constraint F36.CB L136.CB -10. 7.0 14.0 0.404 bonus Constraint K121.CB V224.CB -10. 7.0 14.0 0.401 bonus Constraint L62.CB Q137.CB -10. 7.0 14.0 0.401 bonus Constraint F31.CB A202.CB -10. 7.0 14.0 0.401 bonus