// Add constraints to keep the N-terminus from rolling up. Constraint 20 296 2 2.7 3.2 // O D3 N I37 Constraint 33 280 2 2.7 3.2 // N I5 O V35 // Constraints to keep strand 4 attached Constraint 720 914 2 2.7 3.2 // V93.N R117.O Constraint 725 905 2 2.7 3.2 // V93.O R117.N Constraint 736 892 2 2.7 3.2 // V95.N I115.O Constraint 741 886 2 2.7 3.2 // V95.O I115.N Constraint 748 877 2 2.7 3.2 // V97.N V113.O Constraint 753 872 2 2.7 3.2 // V97.O V113.N Constraint 766 865 2 2.7 3.2 // K99.N V111.O Constraint 772 860 2 2.7 3.2 // K99.O V111.N // Add constraints to try to attach the C-terminal beta strand // First try: // Constraint 879 993 2 2.7 3.2 // V114 N V126 O // Constraint 884 981 2 2.7 3.2 // V114 O V126 N // Add constraints to try to attach the C-terminal beta strand // Second try: // Constraint 879 979 2 2.7 3.2 // V114 N W125 O // Constraint 884 967 2 2.7 3.2 // V114 O W125 N // Constraint 894 961 2 2.7 3.2 // R116 N R123 O // Constraint 903 952 2 2.7 3.2 // R116 O R123 N // Add constraints to try to attach the C-terminal beta strand // Third try: Constraint 896 983 3 5 6 // CB R116 CB V126 Constraint 907 969 3 5 6 // CB R117 CB W125 // Add constraints to try to attach the C-terminal beta strand // Fourth try (plus more to make strand full length) Constraint 867 1012 3 5 6 // A112.CA G131.CA Constraint 873 1008 3 5 6 // V113.CA G130.CA Constraint 881 1004 3 5 6 // V114.CB A129.CB Constraint 888 997 3 5 6 // I115.CB P128.CB Constraint 896 990 3 5 6 // CB R116 CB V127 Constraint 907 983 3 5 6 // CB R117 CB V126 Constraint 918 969 3 5 6 // CB S118 CB W125 Constraint 923 964 3 5 6 // R119.CA G124.CA Constraint 935 954 3 5 6 // R120.CB R123.CB Constraint 953 1012 28 29.2 33 // R123.CA G131.CA // Move C-terminus to "helix" side of sheet (weak constraint) // first try: // Constraint 604 1008 -10 6 20 // CB A78 CA G130 // second try: // Constraint 563 1024 -10 4 12 // L72.CD1 V133.CG2