Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDVAIVKEGWLHKRGEYIKTWRPRYFLLKNDGTFIGYKERPQDVDQREAPLNNFSVAQCQLMKTERPRPNTFIIRCLQWTTVIERTFHVETPEEREEWTTAIQTVADGLKKQEEEEMDFRSGSPSDNSGAEEMEVSLAKPKHRVTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILKKEVIVAKDEVAHTLTENRVL-QNSRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSRERVFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKITDFGLCKEGIKDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPF--YNQDH-EKLFELILMEEIRFPRTLGPEAKSLLSGLLKKDPKQRLGGGSEDA-KEIMQHRFFAGIVWQHVYEKKLSPPFKPQVTSETDTRYFDEEFTAQMITITPPDQDDSMECVDSERRPHFPQFSYSASGTA 3A8W Chain:A ((6-332)) ------------------------------------------------------------------------------------------------------------------------------------------------LGLQDFDLLRVIGRGSYAKVLLVRLKKTDRIYAMKVVKKELVN----IDWVQTEKHVFEQASNHPFLVGLHSCFQTESRLFFVIEYVNGGDLMFHMQRQRKLPEEHARFYSAEISLALNYLH-ERGIIYRDLKLDNVLLDSEGHIKLTDYGMCKEGLRPGDT-TSFCGTPNYIAPEILRGEDYGFSVDWWALGVLMFEMMAGRSPFDI-----EDYLFQVILEKQIRIPRSLSVKAASVLKSFLNKDPKERLGCHPQTGFADIQGHPFFRNVDWDMMEQKQVVPPFKPNISGEFGLDNFDSQFTNEPVQL--PDDDDIVRKID------------------

General information: TITO was launched using: RESULT: Template: 3A8W.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 : 1588 -40323 -25.39 -132.21 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -25.39 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.212

(partial model without unconserved sides chains): PDB file : Tito_3A8W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3a8w-query.scw PDB file : Tito_Scwrl_3A8W.pdb: