Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------------------------------------------------------------MKQFQLRRRKQMELVLPNNYVVIDEEEMMYLDGGAYLSKRACQGICVALAMSPGIFIAL---AGAAVLTKKLINYIKVGGLG--GWLIGAAAGVLATAAGKIAYCIGYGALNRGCDISGNPYPWDGFISATVR-------------------------------------------------------------------------------------------- 4Q05 Chain:A ((34-360)) ENSWQIGPRTLPAPSGASDVLYNIISKTPTPVPTINLNLVPRTESEWRAAITQLDEGKVDMAREISKQLSVSVEHGVIEGVSVYYVTPVEVAPDLEDKLFVHTHGGAFVLNGGEAGTIEAIVIATLAKVR-------VLSIDY------RMPPSHPAPAARDDVFTVYQHLLKQGSAQKIALGGSSGGANLTMGLVQHLIEQEVDLPGALFLGTPGADMSKTGDSYYI------NDGID--RNLVTYDGFLEAAVRLYANGRDLKDPLVSPLYGDLHGFPPTFLITGTRDLLLSATVRTHIKLRQSGVVADLFVYEGIAHGDYAVDLTAPETQHAFAELNAFLLQHLR

General information: TITO was launched using: RESULT: Template: 4Q05.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 : 124 -2095 -16.89 -19.57 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -16.89 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.078

(partial model without unconserved sides chains): PDB file : Tito_4Q05.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q05-query.scw PDB file : Tito_Scwrl_4Q05.pdb: