Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MCNKASSDLTDYVIRQLGRTKNKRYEAYVVSRIIHLLNDFTLKFVTQQFVRLSNKKIALTDLYFPQLGIHIEVDEGHHFLRNSKMEYSLNQIDEPLYSISQTESDAMREE-DIISITGHKIFRVNVFKNQEGQPQNLENIHQQIDKIIEEIKTAKNKLIEASTFKEWNIETEYNPQTYIDLGRISLADNVVLKTTKDVCNCFGYSYKNYQRGGALHPYKKDTLIWFPRLYENKDWINTISPDGLTITEKSTDETITLKKLEEWKNGPQKRIVFARVKDNLSSRAMYRFMGLYEFQKADLKDGAVWKRVKCEVQTYSPKETKC 3DU1 Chain:X ((0-236)) -----HMNVGEILRHYAAGKRN--------------FQHINLQEIELTNASLTGADLSYADLRQTRLG---KSNFSHTCLREADL------SEAILWGIDLSEADLYRAILREADLTGAKLVKTRL---------------EEANLIKASLCGANLNSANLSRCLLFQADLRPSSNQRTDLGYVLLTG-------------ADLSYADL-RAASLHHANLDGAKLC-----RANFGRTIQWGNLAADLSGA----SLQGAD---------LSYANLESAILRKA--------NLQGADLT-GAILKDAELK-GAIMPDGSIH

General information: TITO was launched using: RESULT: Template: 3DU1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 1621 58270 35.95 246.90 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain X : 0.70 3D Compatibility (PKB) : 35.95 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.120

(partial model without unconserved sides chains): PDB file : Tito_3DU1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DU1-query.scw PDB file : Tito_Scwrl_3DU1.pdb: