// weak constraints to pack the C-terminal helices tighter against // the sheet constraint W22.CZ2 H119.CE1 0 4 12 constraint W21.CH2 V114.CG2 0 4 12 // Let's try anti-parallel spec for first strand constraint D2.O F44.N 2.3 2.7 3.2 constraint D2.N F44.O 2.3 2.7 3.2 constraint R4.O T46.N 2.3 2.7 3.2 constraint R4.N T46.O 2.3 2.7 3.2 constraint S43.N G58.O 2.3 2.7 3.2 constraint S43.O G58.N 2.3 2.7 3.2 constraint I45.O L56.N 2.3 2.7 3.2 constraint I45.N L56.O 2.3 2.7 3.2 constraint S47.N G54.O 2.3 2.7 3.2 constraint S47.O G54.N 2.3 2.7 3.2 constraint G54.CA G74.CA 4 4.7 5.5 constraint F55.CB S73.CB 4 4.7 5.5 constraint L56.CB F72.CB 4 4.7 5.5 constraint I57.CB H71.CB 4 4.7 5.5 constraint G58.CA I70.CA 4 4.7 5.5 constraint F59.CB Y69.CB 4 4.7 5.5 constraint Q60.CB A68.CB 4 4.7 5.5 constraint S61.CB T67.CB 4 4.7 5.5 constraint F55.N S73.O 2.3 2.7 3.2 constraint F55.O S73.N 2.3 2.7 3.2 constraint I57.N H71.O 2.3 2.7 3.2 constraint I57.O H71.N 2.3 2.7 3.2 constraint F59.N Y69.O 2.3 2.7 3.2 constraint F59.O Y69.N 2.3 2.7 3.2 constraint S61.N T67.O 2.3 2.7 3.2 constraint S61.O T67.N 2.3 2.7 3.2 // Extend parallel strand R103-V107 constraint A68.N R103.O 2.3 2.7 3.2 constraint A68.O K105.N 2.3 2.7 3.2 constraint I70.N K105.O 2.3 2.7 3.2 constraint I70.O V107.N 2.3 2.7 3.2 constraint F72.N V107.O 2.3 2.7 3.2 constraint R103.CB T67.CB 4 5.12 7 constraint V104.CB A68.CB 4 5.12 7 constraint K105.CB Y69.CB 4 5.12 7 constraint C106.CB I70.CB 4 5.12 7 constraint V107.CB H71.CB 4 5.12 7 // Add parallel strand // Hbonds are to V104 and C106 constraint K105.CB D125.CB 4 5.12 7 Constraint C106.CB I126.CB 4 5.12 7 constraint V107.CA E127.CB 4 5.12 7 constraint V104.O D125.N 2.3 2.7 3.2 constraint C106.N D125.O 2.3 2.7 3.2 constraint C106.O E127.N 2.3 2.7 3.2 constraint T108.N E127.O 2.3 2.7 3.2 // Add antiparallel strand constraint S137.CB N141.CB 14 14.6 16 constraint K128.CB N141.CB 4 4.7 6 constraint G129.CA A140.CA 4 4.7 6 constraint T130.CB F139.CB 4 4.7 6 constraint K131.CB V138.CB 4 4.7 6 constraint T132.CB S137.CB 4 4.7 6 // Add parallel strand constraint A140.CB V153.CB 4 5.12 7 constraint N141.CB K154.CB 4 5.12 7