//constraints for t0187 guessed from robetta1&2 //H-bond 2.2 2.7 3.2 //parallel CB/CA: 4 5.12 8 //antiparallel CB/CA: 4 4.7 8 //strand: ~3.5per res, 4-5 res @ a time, CB or CA //helix: 1.5n CA //sheet 1: // 1 40> VILVAvg // 2 68> VVVTKy // 3 88< AEYIEf // 4 121< LLFLVTd constraint V40.CB V68.CB 4 5.12 8 constraint I41.CB V69.CB 4 5.12 8 constraint L42.CB V70.CB 4 5.12 8 constraint V43.CB T71.CB 4 5.12 8 constraint A44.CB K72.CB 4 5.12 8 constraint V68.CB A88.CB 4 4.7 8 constraint V69.CB E87.CB 4 4.7 8 constraint V70.CB Y86.CB 4 4.7 8 constraint T71.CB I85.CB 4 4.7 8 constraint K72.CB E84.CB 4 4.7 8 constraint L121.CB A88.CB 4 5.12 8 constraint L120.CB E87.CB 4 5.12 8 constraint F119.CB Y86.CB 4 5.12 8 constraint L118.CB I85.CB 4 5.12 8 constraint V117.CB E84.CB 4 5.12 8 //sheet 2: // 342> EIHLI // 410> DLIIG // 312> ETVVH // 309< FILAA // 273< TIIEA // 249< GILHI constraint D410.CB T313.CB 4 5.12 8 constraint L411.CB V314.CB 4 5.12 8 constraint I412.CB V315.CB 4 5.12 8 constraint I413.CB H316.CB 4 5.12 8 constraint G414.CA V317.CA 4 5.12 8 constraint D410.CB V343.CB 4 5.12 8 constraint L411.CB I344.CB 4 5.12 8 constraint I412.CB L345.CB 4 5.12 8 constraint I413.CB C346.CB 4 5.12 8 constraint G414.CA S347.CA 4 5.12 8 //hairpin constraint T313.CB F309.CB 4 4.7 8 constraint V314.CB I308.CB 4 4.7 8 constraint V315.CB L307.CB 4 4.7 8 constraint H316.CB A306.CB 4 4.7 8 constraint V317.CB A305.CB 4 4.7 8 constraint T273.CB F309.CB 4 5.12 8 constraint I272.CB I308.CB 4 5.12 8 constraint I271.CB L307.CB 4 5.12 8 constraint E270.CB A306.CB 4 5.12 8 constraint A269.CB A305.CB 4 5.12 8 constraint T273.CA G249.CA 4 5.12 8 constraint I272.CB I248.CB 4 5.12 8 constraint I271.CB L247.CB 4 5.12 8 constraint E270.CB H246.CB 4 5.12 8 constraint A269.CB I245.CB 4 5.12 8 //keep strand 5 straight: constraint V182.CB S188.CB 23 24.5 26 //make the helix before strand 5 a helix: constraint G171.CA V177.CA 10 10.5 11 //H-bond 2.2 2.7 3.2 //parallel CB: 4 5.12 8 //antiparallel CB: 4 4.7 8