Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDVAIVKEGWLHKRGEYIKTWRPRYFLLKNDGTFIGYKERPQDVDQREAPLNNFSVAQCQLMKTERPRPNTFIIRCLQWTTVIERTFHVETPEEREEWTTAIQTVADGLKKQEEEEMDFRSGSPSDNSGAEEMEVSLAKPKHRVTMNEFEYLKLLGKGTFGKVILVKEKA---TGRYYAMKILKKEVIVAKDEVAHTLTENRVLQNSRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSRERVFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKITDFGLCKEGIKDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHEKLFELILMEEIRFPRTLGPEAKSLLSGLLKKDPKQRLGGGSEDAKEIMQHRFFAGIVWQHVYEKKLSPPFKPQVTSETDTRYFDEEFTAQMITITPPDQDDSMECVDSERRPHFPQFSYSASGTA 6G78 Chain:B ((30-307)) ----------------------------------------------------------------------------------------------------------------------------------------------------QFELLKVLGQGSFGKVFLVRKKTGPDAGQLYAMKVLKKASLKVRD---------DILVEVNHPFIVKLHYAFQTEGKLYLILDFLRGGDVFTRLSKEVLFTEEDVKFYLAELALALDHLH-QLGIVYRDLKPENILLDEIGHIKLTDFGLSKESV----------GTVEYMAPEVVNRRGHSQSADWWSYGVLMFEMLTGTLPFQGKDRNETMNMILKAKLGMPQFLSAEAQSLLRMLFKRNPANRL--GSEGVEEIKRHLFFANIDWDKLYKREVQPPFKP-----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 6G78.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 : 1272 16983 13.35 66.08 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : 13.35 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.262

(partial model without unconserved sides chains): PDB file : Tito_6G78.pdb: (Unconserved sides chains are recalculated) : Sequence: align-6g78-query.scw PDB file : Tito_Scwrl_6G78.pdb: