Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDVAIVKEGWLHKRGEYIKTWRPRYFLLKNDGTFIGYKERPQDVDQREAPLNNFSVAQCQLMKTERPRPNTFIIRCLQWTTVIERTFHVETPEEREEWTTAIQTVADGLKKQEEEEMDFRSGSPSDNSGAEEMEVSLAKPKHRVTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILKKEVIVAKDEVAHTLTENRVL-QNSRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSRERVFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKITDFGLCKEGIKDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPF--YNQDH-EKLFELILMEEIRFPRTLGPEAKSLLSGLLKKDPKQRLGGGSEDA-KEIMQHRFFAGIVWQHVYEKKLSPPFKPQVTSETDTRYFDEEFTAQMITITPPDQDDSMECVDSERRPHFPQFSYSASGTA 5LIH Chain:B ((2-337)) ------------------------------------------------------------------------------------------------------------------------------------------------LGLQDFDLLRVIGRGSYAKVLLVRLKKTDRIYAMKVVKKEL---------VQTEKHVFEQASNHPFLVGLHSCFQTESRLFFVIEYVNGGDLMFHMQRQRKLPEEHARFYSAEISLALNYLH-ERGIIYRDLKLDNVLLDSEGHIKLTDYGMCKEGLRPGDT-TSFCGTPNYIAPEILRGEDYGFSVDWWALGVLMFEMMAGRSPFDI-----EDYLFQVILEKQIRIPRSLSVKAASVLKSFLNKDPKERLGCHPQTGFADIQGHPFFRNVDWDMMEQKQVVPPFKPNISGEFGLDNFDSQFTNEPVQL--PDDDDIVRKID---QSEFEGFEY------

General information: TITO was launched using: RESULT: Template: 5LIH.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 : 1619 -18122 -11.19 -58.65 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -11.19 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.190

(partial model without unconserved sides chains): PDB file : Tito_5LIH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5lih-query.scw PDB file : Tito_Scwrl_5LIH.pdb: