// constraints guessed from pictures in JMB 311:317-327 (2002) 
//	Solution Structure of the DFF-C Domain of DFF45/ICAD. 
//	A Structural Basis for the Regulation of Apoptotic DNA Fragmentation.

// The constraints are not very accurate and may disagree with each other---they
// are intended mainly to guide the selection of models, which can
// then be packed tighter with the constraint weight turned way down.

// helix straightness constraints
constraint 99	162	11 12.5 14 // S239.CA E247.CA
constraint 238	300	11 12.5 14 // S257.CA K265.CA
constraint 326	372	10 10.5 12 // P268.CA L275.CA
constraint 418	582	28 30 33   // K280.CA T300.CA

// possible helix contact
constraint 294	489	2 4 8	  // T264.CB C289.CB

// negative patch from figure 6A
constraint 272	320	8 10.5 12 //  E261.CD D267.CG
constraint 272	497	4 7 10 	  //  E261.CD E290.CD
constraint 312	446	9 10.5 12 //  E266.CD E283.CD
constraint 320	404	8 10.5 12 //  D267.CG D278.CG
constraint 320	446	4 6 9 	  //  D267.CG E283.CD
constraint 320	497	8 10.5 14 //  D267.CG E290.CD
constraint 446	497	9 10.5 12 //  E283.CD E290.CD

// From 6A right side
constraint 108	255	3 5 10	  // H240.CD2 D259.CG
constraint 156	432	4 6 10	  // R246.CZ K281.NZ
constraint 164	420	2 4 8	  // E247.CG K281.CG
constraint 173	420	2 4 8	  // K248.CG K281.CG
constraint 204	518	2 4 6	  // E252.CD E292.CD
constraint 204	550	6 10 14	  // E252.CD R296.CZ

// From 6B
constraint 116	280	1 4 7	  // I241.CB L262.CG
constraint 125	343	1 3 7	  // L242.CG A270.CB
constraint 125	361	2 4 7	  // L242.CG V273.CB
constraint 139	393	2 6 9	  // A244.CB W277.CE2
constraint 190	485	2 5 9	  // A250.CB A288.CB 
constraint 212	539	2 5 8	  // L253.CG L295.CG
constraint 226	280	2 5 8	  // L255.CG L262.CG
constraint 263	526	2 4 7	  // L260.CG L293.CG
constraint 263	491	2 5 8	  // L260.CG C289.SG
constraint 328	411	2 4 7	  // P268.CG I279.CB 


// Combining 6A and 6B
constraint 116	302	2 6 9	  // I241.CB K265.CG
constraint 116	311	2 6 9	  // I241.CB E266.CG
constraint 152	361	2 6 9	  // R246.CB V273.CB
constraint 163	389	2 6 12	  // E247.CB W277.CB
constraint 172	226	2 6 9	  // K248.CB L255.CG
constraint 255	280	2 6 9	  // D259.CG L262.CG
constraint 280	107	2 6 9	  // L262.CG H240.CG
constraint 328	445	2 5 9	  // P268.CG E283.CG
constraint 546	211	2 6 9	  // R296.CB L253.CB