Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------MGKSKMTNSNYKLTKEDFNQINKRRLFTFQLGWNYERMQASGYLYMILPQLRKMYGDGTPELKEMM---------------KVHTQFFNTSPFFHTII-AG----FDLAMEEKDGVGSK------DAVNGIKTGLMGPFAPLGDTIFGSLVPAIMGSVAATMAIAGQPW-GIFLW--IAVAVAYDIFRWKQLEFAYKEGVNLINNMQSTLTALID-AASVLGVFMMGALVATVINFEISYK--LPIGEKMIDFQD------------ILNQIFPRLLPAIFTAFIFWLLGKKGMNSTKAIG---------------------------IIIVLAL-------ALSAL-GHFALGM----------------------------------------------------------- 4KQA Chain:A ((3-428)) PHQPIPPSLGEKDLSDPFNFLF--SSNKITLRKLYDLTKNVDFDQLRQNECKKNI--TLSKFWEPEDDNWERFYSNIGSCSVYSDDQMIDNLLHDLNTSPIKHVHIMDGTQVKFVFTFKNDKQAVFKPMRFGRDYESDPNHFYFSDFERHHAEIATFHLDRVLGFRRAIPTVGRVLNMTTELFEKAEKKLKKTFFFSPAKNFCFVSRCDYYCDTTHAICGLPDMKEGSVQVFLPDESAVPRKHNRSPYRRTYSKKNQVAEWQSSMNYCTDKVKTKRQYAHGRRLLDLVDIHILDYLIGNQDRHHFESFNVFNDLPSYAIHLDHGRAFGRSDFDDDDIILPLRQCCILRPSTFQTLMNFYSTPKSLTKALHESLSKDPAHPILAYKHYPAMERRLAKIMSHILECFESRGVAEVLVAEYNNPD

General information: TITO was launched using: RESULT: Template: 4KQA.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 : 1004 -14163 -14.11 -52.07 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -14.11 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.010

(partial model without unconserved sides chains): PDB file : Tito_4KQA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KQA-query.scw PDB file : Tito_Scwrl_4KQA.pdb: