Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALLAEFYSKEGNMNTNLASFIVGLIIDENDRFYFVQKDGQTYALAKEEGQHTVGDTVKGFAYTDMKQKLRLTTLEVTATQDQFGWGRVT-----EVRKDLGVFVDTGLPDKEIVVSLDI----LPE----LKELWPKKGDQLYIRLEVDKKDRIWGLLAYQEDFQRLARPAYNNMQNQNWPAIVYRLKLSG---TFVYLPENNMLGFIHPSERYAEPRLGQVLDA---------------RVIGFREVDRTLNLSLKPRSFEMLENDAQMI--LTYLESNGGFMTLNDKSSPDDIKATFGISKGQFKKALGGLMKAGKIKQDQFGTELI 4WBX Chain:C ((4-382)) ---RFPFPVGEPDFIQGDEAIARAAILAGC-RFYAGYP--ITPASEIFEAMALYMPLVDGVVIQMEDEIASIAAAIGASWAGAKAMTATSGPGFSLMQENIGYAVMTETP----VVIVDVQRSGLPAQGDIMQAIWGTHGDHSLIVL---------SPSTVQEAFDFTIR-AFNLSEKYRTPVILLTDAEVGHMRERVYIPNPDEIEIINRLIKRIVEKIEKNKKDIFTYETYELEDAVATGIVARSALLLKIE-TIWPFDFELIERIAERVDKLYVPEMNLGQLYHLIKEGANGKAEVKLISK-----------IGGEVHTPMEIFEFI

General information: TITO was launched using: RESULT: Template: 4WBX.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1549 -19634 -12.68 -74.09 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain C : 0.65 3D Compatibility (PKB) : -12.68 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.230

(partial model without unconserved sides chains): PDB file : Tito_4WBX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WBX-query.scw PDB file : Tito_Scwrl_4WBX.pdb: