Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKTDKLLESLNVFIQKAEENQYKQLGEMVPDFPGKSNIPKYVEEYEKGIARLLRRQHKKFLDGLKGFVSKDSEETLKALLVFFTQNLFAEDDFEEEFQELTEGFLQQTIEEMAEVIMDSIDPEVPFKVLSNRTINWIKDWSKKLAEIMKLNTHEVVEDVLTNAIENGSSIQD-----------IELTLKDMPQFDRERARTTAITEVLAASSAAQHESYAQSPAVKKKKWRHSGGKKNNPRENHIDLDGTVIGVDEEFQIPGSSETCMFPRDPKLSTRERVNCHCVLSPVVDSKILGLSPEEKEEIQREVLANME 4XB6 Chain:D ((2-278)) ANLSGYNFAYLD-EQTKRMIRRAILKAVAIPGYQVPFGGREMPMPYGWGTGGIQLTASVIGESDVLKVIDQGADDTTNAVSI---RNFFKRVTGVNTTERTDDATVIQTRHRIPETPLTE-DQIIIFQVPIPEPLRFIEPRETETRTMHALEEYGVMQVKLYEDIARFGHIATTYAYPVKVNGRYVMDPSPIPKFDNPKMDMMPALQLFGAGR--EKRIYAVPP---------------FTRVESLDFD------DHPFTVQQWDEPCAICGSTHSYLDEVVLDD------AGNRMFVCSDTDYCRQQSEA-----

General information: TITO was launched using: RESULT: Template: 4XB6.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1387 38909 28.05 146.27 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain D : 0.64 3D Compatibility (PKB) : 28.05 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.146

(partial model without unconserved sides chains): PDB file : Tito_4XB6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XB6-query.scw PDB file : Tito_Scwrl_4XB6.pdb: