Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MCNKASS-DLTDYVIRQLGRTKNKRYEAYVVSRIIHLLNDFTLKFVTQQFVRLSNK--KIALTDLYFPQLGIHIEVDEGHHFLRNSKMEYSLNQIDEPLYSISQTESDAMREEDIISITGHKIFRVNVFKNQEGQPQNLENIHQQIDKIIEEIKTAKNKLIEASTFKEWNIETEYNPQTYIDLGRI-SLADNVVLKTTKDVCNCFGYSYKNYQRGG--------ALHPYKKDTL-IWFPRLYENKDWINTISPDGLTITEKSTDETITLKKLEEWKNGPQKRIVF-ARVKDNLSSRAMYRFMGLYEFQKAD-LKDGAVWKRVKCEVQTYSPKETKC 4OQ2 Chain:A ((4-300)) HHHHHEFMSKTDYILRALSKISHKRWEHYIINRVVHTLDDPDIEFVCQQCIRKEGHLGKIYLADLLFPQLNLYLEIDEAHH------------------DSNDARKADAVRRLDIVEATGFQEERIPA------SNITLSEVNKLVDEFVRLVKDKKEELENQGLFFRWDYDERYSAKKHINTG-YMAVGPNSVFRYHRDALQCFGYRREGHHQSGGWALPAEVAQSIGLTGRVMVWFPRLYEAGEWKNALSADGNKITEQSLNATRNYQE-------TWDYRIVMAHSRDELN-RTLYRFLGVFAIDVDKSSDEVKVFSRVYSRVNVYR------

General information: TITO was launched using: RESULT: Template: 4OQ2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1228 32012 26.07 113.52 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 26.07 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.379

(partial model without unconserved sides chains): PDB file : Tito_4OQ2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OQ2-query.scw PDB file : Tito_Scwrl_4OQ2.pdb: