Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------MCNKASSDLTDYVIRQL--GRTKNKRYEAYVVSRIIHLLNDFTLKFV-TQQFVRLSNKKIALTDLYFPQLGIHIEVDEGHHFLRNSKMEYSLNQIDEPLYSISQTESDAMREEDIISITGHKIFRVNVFKNQEGQPQNLENIHQQIDKIIEEIKTAKNKLIEA-STFKEWNIETEYNPQTYIDLGRISLADNVVLKTTKDVCNCFGYSYKNYQRGGALHPYKKDTLIWFPRLYENKDWINTISPDGLTITEKSTDETITLKKLEEWKNGP-QKRIVFARVKDNLSSRAMYRFMGLYEFQKADLK-DGAVWKRVKCEVQTYSPKETKC--------------------------------------------------------------------------------------- 5AYN Chain:A ((7-426)) LRIETQLLLGRLLTRSGDQAWDFVVPFALLVIFPGKLQVAAFYYLIVKIGTFLLTPSSGKWIDTHPRIQVVKWGVWLQFFAILAGMVFFGMLDGLVR-AGGRESWLLSVLFIALALSGVMASLGSQITDISVGND--------LAPSLVAPEKLTHFNSWLRRIDLATEVGAPILAGALFPLAGLFLIGLWNLVSFVP--EYFLLRNVIQRS--------GLKIKVLTEAINLRGSFSDPIFWLILSYA-LLWLSVLSPHGVLLAAYLKDE----MRLPETEIGLFRGLGAVFGLISTVSFPYLVRRLGLISSSRWHLGFQGVTLGIAVTAFAMGSTASVYVFLGCILLSRVGLYGFSNGEFELRQRLIPEGRRGELNSLSSLTTTSATLILFSAGSLLPQTEDFKYLVYVSLAAVLLANVVFIKWSSR

General information: TITO was launched using: RESULT: Template: 5AYN.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 : 1035 -21253 -20.53 -71.56 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -20.53 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.149

(partial model without unconserved sides chains): PDB file : Tito_5AYN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AYN-query.scw PDB file : Tito_Scwrl_5AYN.pdb: