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:A ((2-337)) ------------------------------------------------------------------------------------------------------------------------------------------------LGLQDFDLLRVIGRGSYAKVLLVRLKKTDRIYAMKVVKKELV-------WVQTEKHVFEQASNHPFLVGLHSCFQTESRLFFVIEYVNGGDLMFHMQRQRKLPEEHARFYSAEISLALNYLH-ERGIIYRDLKLDNVLLDSEGHIKLTDYGMCKEGLRPGDT-TSFCGTPNYIAPEILRGEDYGFSVDWWALGVLMFEMMAGRSPFDIV-----NTEDYLFQVILEKQIRIPRSLSVKAASVLKSFLNKDPKERLGCHPQTGFADIQGHPFFRNVDWDMMEQKQVVPPFKPNISGEFGLDNFDSQFTNEPVQL--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 A - contact count / total energy / energy per contact / energy per residue : 1639 -44087 -26.90 -141.76 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -26.90 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.185

(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: