Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALLAEFYSKEGNMNTNLASFIVGLIIDENDRFYFVQKDGQTYALAKEEGQHTVGDTVKGFAYTDMKQKLRLTTLEVTATQDQ--FGWGRVTEVRKDLGVFVDTGLPDKEIVVSLDI-LPELKELWPKKGDQLYIRLEVDKKDRIWGLLAYQEDFQRLARPAYNNMQNQ---NWPAIVYRLKLSGTFVYLPENNMLGFIHPSERYAEPRLGQVLDARVIGFREVDRTLNLSLKPRSFEMLENDAQMILTYLESNGGFMTLND-KSSPDDIKATFGISKGQFKKALGGLMKAGKIKQDQFGTELI 4OO1 Chain:H ((9-361)) -----ITITKRNGAFSDSQIVTPGELVTDDPIW---MRGHGTYFL-----DNMTYSSVAG-TVSRVNRLLSVIPLKGRYAPETGDHVVGRIAEVGNK-RWKVDIGGKQHAVLMLGSVNLPGQMRSFLKEGDLLNAEVQSLFQDGSASLHTRSLKYGKLRNGMFCQVPSSLIVRAKNHTHNLP-GNITVVLGVNGYIWLRKTSQMDLAR------DTPSANSWQIYSDENDPSISNNIRQAICRYANVIKALAFCEIGITQQRIVSAYEASMVYSNVGELIEKNVMESIGSDILTAEKMRGN---

General information: TITO was launched using: RESULT: Template: 4OO1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain H - contact count / total energy / energy per contact / energy per residue : 1234 16408 13.30 60.32 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain H : 0.63 3D Compatibility (PKB) : 13.30 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.332

(partial model without unconserved sides chains): PDB file : Tito_4OO1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OO1-query.scw PDB file : Tito_Scwrl_4OO1.pdb: