Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKVIIDCDPGIDDTLALSLAVKSPDIEVVAITVVCGNVPADIGTQNVLKCLERCDRLDIPVYQGMEKPLKQPFISAQDTHGMDGLGETNFPMILRKQAEPLHAVDFLADYFKEK-TNTSVIALGPLTNIASALKVNPNIGKHMERFVSMGGTYKSHGNCSPVAEYNYWCDPEAASYVFENLKQTIEMVGLDVTREIVLTPTILEYCCQMN---PEEGEYLKAITRFYFDFHWKQERILGCVINDPLAVAYFIEEAICEGFKSFTAVETQGI-SRGQTLVDRYEFWQKPANSKIMTKVDTRLFFRKFLTVLLNAQEETIMKDLERLKMG 3MKM Chain:A ((6-314)) KRKIILDCDPGHDDAIAIMMAAKHPAIDLLGITIVAGNQTLDKTLINGLNVCQKLEI-NVPVYAGMPQPIMRQQIVADNIHGDTGLDGPVFEPL-TRQAESTHAVKYIIDTLMASDGDITLVPVGPLSNIAVAMRMQPAILPKIREIVLMGGAYG-TGNFTPSAEFNIFADPEAARVVFTSG-VPLVMMGLDLTNQTVCTPD---VIARMERAGGPAGELFSDIMNFTLKTQFENYGLAGGPVHDATCIGYLINPDGIKTQEMYVEVDVNSGPCYGRTVCDELGVLGKPANTKVGITIDTDWFWGLVEECVRGYIK-------------

General information: TITO was launched using: RESULT: Template: 3MKM.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 : 1974 -132960 -67.36 -437.37 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -67.36 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.409

(partial model without unconserved sides chains): PDB file : Tito_3MKM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MKM-query.scw PDB file : Tito_Scwrl_3MKM.pdb: