//combined constraints from all 3 Robetta models //(throwing out bogus stuff) //definate hairpin (1-2) constraint K12.N E29.O 2.2 2.7 3.2 //1,2 constraint K12.O E29.N 2.2 2.7 3.2 //jenny constraint L14.N Y27.O 2.2 2.7 3.2 //1,2 constraint L14.O Y27.N 2.2 2.7 3.2 //1,2 constraint I16.O L25.N 2.2 2.7 3.2 //1,2 //try to get a hairpin here? (Y116-Y111)ap(K122-C125) constraint Y116.O G123.N 2.2 2.7 3.2 //3 constraint Y116.O G123.N 2.2 2.7 3.2 //3 //definate hairpin (A-B). constraint N170.N E189.O 2.2 2.7 3.2 //5 constraint V172.N I187.O 2.2 2.7 3.2 //5 constraint V172.O I187.N 2.2 2.7 3.2 //5 constraint D174.N H185.O 2.2 2.7 3.2 //5 constraint D174.O H185.N 2.2 2.7 3.2 //5 constraint T176.N E183.O 2.2 2.7 3.2 //5 constraint T176.O E183.N 2.2 2.7 3.2 //5 //unlikely hairpin. 209-213 strong strand signal constraint T200.O F211.N 2.2 2.7 3.2 //5 constraint H202.N L209.O 2.2 2.7 3.2 //5 constraint H202.O L209.N 2.2 2.7 3.2 //5 //definate hairpin (D-E) constraint G295.N A306.O 2.2 2.7 3.2 //jenny constraint G295.O A306.N 2.2 2.7 3.2 //jenny constraint E297.N L304.O 2.2 2.7 3.2 //5 constraint E297.O L304.N 2.2 2.7 3.2 //5 constraint Q299.N G302.O 2.2 2.7 3.2 //jenny constraint Q299.O G302.N 2.2 2.7 3.2 //jenny //put this E274-strand next to hairpin(D-E) in parallel constraint E274.N G301.O 2.2 2.7 3.2 //1 constraint E274.O I303.N 2.2 2.7 3.2 //1 constraint E276.N I303.O 2.2 2.7 3.2 //1 //sheet constraints added for try11, mostly from //looking at possible/likely arrangements in try9-opt. //ap pairing of E182-E189 and L209-V212 (B-C) //register is a complete guess // 208> dLVFVKt // 188< aIIHVEe constraint L209.CB I187.CB 4 4.7 8 constraint V210.CB I186.CB 4 4.7 8 constraint F211.CB H185.CB 4 4.7 8 constraint V212.CB V184.CB 4 4.7 8 constraint K213.CB E183.CB 4 4.7 8 //a hairpin for L349-L352 & C362-V37 (F-G) constraint C362.CB V370.CB 26 29 32 //straightness constraint L349.CB C362.CB 4 4.7 8 constraint V350.CB R363.CB 4 4.7 8 constraint T351.CB V364.CB 4 4.7 8 constraint L352.CB V364.CB 4 4.7 8