// Constraints to keep the 4 conserved histidines H9 H40 H131 H194 expected to be involved in metal binding close together in the C' end of the barrel
Constraint H9.CG H40.CG	6 7 12	
Constraint H131.CG H194.CG	6 7 12	
Constraint H9.CG H194.CG	6 7 12	
Constraint H40.CG H131.CG	6 7 12	


// CB constraints to get the barrely formed
// suggested strand composition of the barrel based on ss prediction + amino 
// acid preferences for being in specific positions in barrel +1a4mA alignment
// V4-M6  
// L34-L38
// V66-G71
// L95-G99
// V126-S130
// S160-L163
// V186-G190
// ?

//strand1 -strand2
Constraint 30	262	3 5.12 7	// CBs  V4  L34
Constraint 37	270	3 5.12 7	// CBs	D5  F35
Constraint 45	281	3 5.12 7	// CBs  L6  A36
Constraint 53	286	3 5.12 7	// CBs  H7  I37
Constraint 63	294	3 5.12 7	// CAs  M8  T38

// strand2-strand3
Constraint 262	531	3 5.12 7	// CBs  L34 V66
Constraint 270	537	3 5.12 7	// CBs  F35 G67 (CA)
Constraint 281	542	3 5.12 7	// CBs  A36 I68
Constraint 286	550	3 5.12 7	// CBs  I37 L69
Constraint 294	558	3 5.12 7	// CBs  T38 R70

//strand3-strand4
Constraint 531  746	3 5.12 7	// CBs  V66 L95
Constraint 537  754	3 5.12 7	// CBs  G67 I96
Constraint 542	762	3 5.12 7	// CBs  I68 I97
Constraint 550	770	3 5.12 7	// CBs  L69 A98
Constraint 558	774	3 5.12 7	// CBs  R70 G99 (CA)

//strand4-strand5
Constraint 746  973	3 5.12 7	// CBs  L95 V126
Constraint 754 	980	3 5.12 7	// CBs  I96 H127
Constraint 762	990	3 5.12 7	// CBs  I97 I128
Constraint 770	998	3 5.12 7	// CBs  A98 I129
Constraint 774 	1006	3 5.12 7	// CBs  G99 (CA) S130

// strand5-strand6
Constraint I128.CB S160.CB	3 5.12 7	// CBs  I128 S160
Constraint I129.CB S161.CB	3 5.12 7	// CBs  I129 S161
Constraint S130.CB F162.CB	3 5.12 7	// CBs  S130 F162
Constraint S130.CB F162.CB	3 5.12 7	// CBs  H131 L163

//strand6-strand7
Constraint S161.CB V187.CB	3 5.12 7	// CBs  S161 V187
Constraint F162.CB A188.CB	3 5.12 7	// CBs  F162 A188
Constraint L163.CB L189.CB	3 5.12 7	// CBs  L163 L189