Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTQTWPFLHNAQSFIQENWNASGFQKPTPVQEQAAQLIMDG--KDVIAESPTGTGKTLAYALPVLERIKPEQKHPQAVILAPSRELVMQIFQVIQDWKAGSELRAASLIGGANVKKQVEKLKK-HPHIIVGTPGRVFELIKAKKLKMHEVKTIVLDETDQLVLPEHRETMKQIIKTTL---RDRQLLCFSATLKKETEDVLRELAQEPEVLKVQRSKAEAGKVKHQYLIC-DQRDKVKLLQKLSRLEGM-QALVFVRDIGNLSVYAEKLAYHHVELGVLHSEAKKMERAKIIATFEDGEFPLLLATDIAARGLDIENLPYVIHADIP-------DEDGYVHRSGRTGRAGKEGNVLSLVTKLEESKLKKMAKKLGVELSEAVYAGGKLKTK 3PEW Chain:A ((22-353)) --------------------AMKFQKPSKIQERALPLLLHNPPRNMIAQSQSGTGKTAAFSLTMLTRVNPEDASPQAICLAPSRELARQTLEVVQEMGKFTKI-TSQLI----VPDSFEKNKQINAQVIVGTPGTVLDLMRRKLMQLQKIKIFVLDEADNML--DQQGLGDQCIRVKRFLPKDTQLVLFSATFADAVRQYAKKIVPNANTLELQTNEVNVDAIKQLYMDCKNEADKFDVLTELYGVMTIGSSIIFVATKKTANVLYGKLKSEGHEVSILHGDLQTQERDRLIDDFREGRSKVLITTNVLARGIDIPTVSMVVNYDLPTLANGQADPATYIHRIGRTGRFGRKGVAISFV--------------------------------

General information: TITO was launched using: RESULT: Template: 3PEW.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 : 1741 -194330 -111.62 -613.03 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -111.62 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.502

(partial model without unconserved sides chains): PDB file : Tito_3PEW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PEW-query.scw PDB file : Tito_Scwrl_3PEW.pdb: