Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------MADRFIGSAVAVPASLDWLRATETGRI---------WLDKLPVLLETACEHFGLSEIGSP-----------FSGGNVSLV---------VPARHDGEDVV---------LKLQFPDHECRHEAEALWRWNGKGAVRLLKHAPELGALLLERCR--------PGQFLADDTETDRIGVVAGLLRLLTIP--AGDPFTRLNDEAARWRDSLDHNWM------AAGKPCEQYLVDAAR-----KALQDLCLEKEAEEVLLHQDLHGHNILSSERDTWLAIDPKP------LAGDPAFALSPIVRSFEFGHSKAEARYRLDRLSEELELDRERARYWTIGQTMAWAFSSSYAERH-----FETVRWLLAEN 4KPP Chain:A ((2-396)) DFTKEKFQLLAISSLTLPWLISLAFNYHHPALTQTLLSGLAVVSASFLISWAAETAEMDVPRSFSLAIVALLAVLPEYAVDGYFAWKAGSVGGEYVHYATANMTGANRLLIGIGWSLVAFIAFRTLKSKEVELDDGIRLEIFFLFLATLYAFTLPLKGHISPFDALVFVSLYAIYIYLSTKAEREEVEVGGVPAYLCSLKTETRRLSVVVLFLFAGFTILMSVEAFSEGLLETARIAGIDEFLAVQWIAPLASESPELIVAIYFVRRFRVSASMNALISSKVNQWTLLIGTIAIIYSISAFKLQSLPLDARQSEEVLLTAAQSLFAVAIL---LDLKISWKEASALFLLFIVQLLFPGVEVRYIISAIYIILSLPILFAKRKEIVESFRTVKRLISLE

General information: TITO was launched using: RESULT: Template: 4KPP.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 : 1360 -88234 -64.88 -300.11 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -64.88 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.242

(partial model without unconserved sides chains): PDB file : Tito_4KPP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4kpp-query.scw PDB file : Tito_Scwrl_4KPP.pdb: