Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLHFTFLGTSSGVPTLSRNVSGLAVRNSKNKDWILVDAGEGTQHRIQQARLSLQNLIAICITHVHGDHCYGLVGLLASAGM--NARNNPLIVIAPKEIQQWFEITAQLTD--LHLPYSIKFIDV--NEATRPQQLTDELFIQAHPLSHRVPSFAFSIYIKSTQKKIDIQALTQLGIPKGDIWGHLKRGYDVEFEGRILKSQDFIKIQNQQIHAIIGGDNDRPELLADACKDAQLLIHEATYLQTVLDKVGKGPMHSSAKMVAEFAEQQSLDNLILTHFSPRHQDKTGQQAIIEEVRQFYKGHFYLANDFDEFTLNETGQLLKIE 1WW1 Chain:A ((1-280)) ----------MNIIGFSKALFSTWIYYSPER--ILFDAGEGVSTTL---GSKVYAFKYVFLTHGHVDHIAGLWGVVNIRNNGMGDREKPLDVFYPEGNRAVEEYTEFIKRANPDLRFSFNVHPLKEGERVFLRNAGGFKRYVQPFRTKSEVSFGYHIFEVRRKFV-----------------TEEYHKKVLTISG------------------------DSLALDPEEIRGTELLIHECTFLD-------ARDNHAAIDEVMESVKAAGVKKVILYHISTRY-IRQLKSVIKKYREEMPDVEILYMDPRKVFEM----------

General information: TITO was launched using: RESULT: Template: 1WW1.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 : 1338 -10546 -7.88 -43.22 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -7.88 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.388

(partial model without unconserved sides chains): PDB file : Tito_1WW1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WW1-query.scw PDB file : Tito_Scwrl_1WW1.pdb: