Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPKKILVLHTGGTISMQADAS-------GAVVTSSDNPMNHVSNPLEGIQVHALDFFNLPSPHIKPKHMLVLYQKIKE--EADNYDGVVITHGTDTLEETAYFLDTMEVPHMPIVLTGAMRSSNELGSDGVYNYLSALRVASDDRAADKGVLVVMNDEIHAAKYVTKTHTTNVSTFQTPTHGPLGLIMKQEILYF-KTAEPRV---RFDLDHIQGL--VPIISAYAGMTDELIDMLDLEHLDGLIIQAFGAGNIPKETAQKLESLLQKGIPVALVSRCFNGIAEPVYAYQGGGVQLQKAGVFFVKELNAQKARLKLLIALNAGLTGQALKDYMEG 5K45 Chain:B ((5-314)) ---QVTILATGGTIAGSGESSVKSSYSAGAVTVDKLLAAVPAINDLATIKGEQIS--SIGSQEMTGKVWLKLAKRVNELLAQKETEAVIITHGTDTMEETAFFLNLTVKSQKPVVLVGAMRPGSSMSADGPMNLYNAVNVAINKASTNKGVVIVMNDEIHAAREATKLNTTAVNAFASPNTGKIGTVYYGKVEYFTQSVRPHTLASEFDISKIEELPRVDILYAHPDDTDVLVNAALQAGAKGIIHAGMGNGNPFPLTQNALEKAAKSGVVVARSSRVGSG-----STTQEAEVDDKKLGFVATESLNPQKARVLLMLAL---------------

General information: TITO was launched using: RESULT: Template: 5K45.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1628 33500 20.58 113.56 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : 20.58 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.452

(partial model without unconserved sides chains): PDB file : Tito_5K45.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5K45-query.scw PDB file : Tito_Scwrl_5K45.pdb: