Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPKKILVLHTGGTISMQADASGAVVTSSDNPMNHVSNPLEGIQVHALDFFNLPSPHIKPKHMLVLYQKIKE--EADNYDGVVITHGTDTLEETAYFLDTMEVPHMPIVLTGAMRSSNELGSDGVYNYLSALRVASDDRAADKGVLVVMNDEIHAAKYVTKTHTTNVSTFQTPTHGPLGLIMKQEILYF-KTAEPRV---RFDLDHIQGL--VPIISAYAGMTDELIDMLDLEHLDGLIIQAFGAGNIPKETAQKLESLLQKGIPVALVSRCFNGIAEPVYAYQGGGVQLQKAGVFFVKELNAQKARLKLLIALNAGLTGQALKDYMEG 5K4H Chain:C ((5-314)) ---QVTILATGGTIAGS-----AVTV--DKLLAAVPAINDLATIKGEQISSIGSQEMTGKVWLKLAKRVNELLAQKETEAVIITHGTDTMEETAFFLNLTVKSQKPVVLVGAMRSGSSMSADGPMNLYNAVNVAINKASTNKGVVIVMNDEIHAAREATKLNTTAVNAFASPNTGKIGTVYYGKVEYFTQSVRPHTLASEFDISKIEELPRVDILYAHPDDTDVLVNAALQAGAKGIIHAGMGNGNPFPLTQNALEKAAKSGVVVARSSRVGSG-----STTQEAEVDDKKLGFVATESLNPQKARVLLMLAL---------------

General information: TITO was launched using: RESULT: Template: 5K4H.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1675 -60329 -36.02 -208.03 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain C : 0.76 3D Compatibility (PKB) : -36.02 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.504

(partial model without unconserved sides chains): PDB file : Tito_5K4H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5K4H-query.scw PDB file : Tito_Scwrl_5K4H.pdb: