Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLHFTFLGTSSGVPTLSRNVSGLAVR--NSKNKDWILVDAGEGTQHRIQQARLSLQNLIAICITHVHGDHCYGLVGLLASAGMNARNNPLIVIAPKEIQQWFEITAQLTDLHLPYSIKFIDVNEATRPQQLTDELFIQAHPLSHRVPSFAFSIYIKSTQKKIDIQALTQLGIPKGDIWGHLKRGYDVEFE-GRILKSQDFIKIQNQQIHAIIGGDNDRPELLADACKDAQLLIHEATYLQTVLDKVGKGPMHSSAKMVAEFAEQQSLDNLILTHFSPRHQDKTGQQAIIEEVRQFYKGHFYLANDFDEFTLNETGQLLKIE 4GCW Chain:A ((1-275)) -MELLFLGTGAGIPAKARNVTSVALKLLEERRSVW-LFDCGEATQHQMLHTTIKPRKIEKIFITHMHGDHVYGLPGLLGSRSFQGGEDELTVYGPKGIKAFIETSLAVTKTHLTYPLAIQEIEEGIVFED--DQFIVTAVSVIHGVEAFGYRVQEKDVPGSLKADVLKEMNIPPGPVYQKIKKGETVTLEDGRIINGNDFLEPPKKGRSVVFSGDTRVSDKLKELARDCDVMVHEATFAKED-RKLAYDYYHSTTEQAAVTAKEARAKQLILTHISARYQ-----------------------------------------

General information: TITO was launched using: RESULT: Template: 4GCW.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 : 1492 15285 10.24 56.19 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : 10.24 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_4GCW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GCW-query.scw PDB file : Tito_Scwrl_4GCW.pdb: