Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDVAIVKEGWLHKRGEYIKTWRPRYFLLKNDGTFIGYKERPQDVDQREAPLNNFSVAQCQLMKTERPRPNTFIIRCLQWTTVIERTFHVETPEEREEWTTAIQTVADGLKKQEEEEMDFRSGSPSDNSGAEEMEVSLAKPKHRVTMNEFEYLKLLGKGTFGKVILVKE---KATGRYYAMKILKKEVIV--AKDEVAHTLTENRVLQNSRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSRERVFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKITDFGLCKEGIKDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHEKLFELILMEEIRFPRTLGPEAKSLLSGLLKKDPKQRLGGGSEDAKEIMQHRFFAGIVWQHVYEKKLSPPFKPQVTSETDTRYFDEEFTAQMITITPPDQDDSMECVDSERRPHFPQFSYSASGTA 3WF7 Chain:A ((21-304)) -----------------------------------------------------------------------------------------------------------------------------------------------------FELLRVLGKGGYGKVFQVRKVTGANTGKIFAMKVLKKAMIVRNAKD-TAHTKAERNILEEVKHPFIVDLIYAFQTGGKLYLILEYLSGGELFMQLEREGIFMEDTACFYLAEISMALGHLH-QKGIIYRDLKPENIMLNHQGHVKLTDFGLCKESIHD---VTHFCGTIEYMAPEILMRSGHNRAVDWWSLGALMYDMLTGAPPFTGENRKKTIDKILKCKLNLPPYLTQEARDLLKKLLKRNAASRLGAGPGDAGEVQAHPFFRHINWEELLARKVEPPFKPLLQ--------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3WF7.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 : 1388 -6246 -4.50 -22.63 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -4.50 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.285

(partial model without unconserved sides chains): PDB file : Tito_3WF7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3wf7-query.scw PDB file : Tito_Scwrl_3WF7.pdb: