Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPLLQIAEPGQSSAPHQHRIAIGIDLGTTHSLAATVLSGKPKVLNDVQNRRLLPSIVHYG-DNTTHYGEEAKPFIIADPKNTIVSVKRFMGRSKADIKFQH-----PYELVGSEKNEMPAFETRAGRKTPVEISAEILKQLKDRAEDSLQNPVNGAVITVPAYFDEAQRQATRYAAQLAGLNILRLLNEPTAAAVAYGLDQESNLATDRNYVIYDLGGGTFDVSILRF----SQGVFEVLATGGHTALGGDDLD-RLI---VKWAKKQLNIDVLSDE-DYAVFIVAARQAKEQLST--QDSVELKLLEATLT--------LDRPTFESIIQVALDKTISVCKRVLRDAKLELTDIQNVVLVGGSTRSYAVQKAVREVFAQEPLCTINPDEVVAIGASITANQLIGNSQDGSLLLDVTPLSLGLETMGGLVERLISRNTAIPVARRQEFTTYQDGQTAMLIHVVQGERDLVEHCRSLGRFVLHGIPPMTAGQARIEVTFQVDADGLLTVSAREATSGVQAHIDIKPSYGLSEADTERLLIEGFQHAEEDKNLRHLKETKVEAERELEALEQALKVDADLLDEKQLEALNSAKESLKAQLEGSDIQAIEQAVQQLKVHSDAFAALRMNRHIDHALKGTKLDDWSKSN 4JNE Chain:B ((5-587)) ---------------------IGIDLGTTNSCVAIMDGTTPRVLENAEGDRTTPSIIAYTQDGETLVGQPAKRQAVTNPQNTLFAIKRLIGRRFQDEEVQRDVSIMPFKIIAADNGDA-WVEVKGQKMAPPQISAEVLKKMKKTAEDYLGEPVTEAVITVPAYFNDAQRQATKDAGRIAGLEVKRIINEPTAAALAYGLDKGTG---NRTIAVYDLGGGAFDISIIEIDEVDGEKTFEVLATNGDTHLGGEDFDSRLINYLVEEFKKDQGIDLRNDPLAMQRLKEAAEKAKIELSSAQQTDVNLPYITADATGPKHMNIKVTRAKLESLVEDLVNRSIEPLKVALQDAGLSVSDIDDVILVGGQTRMPMVQKKVAEFFGKEPRKDVNPDEAVAIGAAVQGGVLTGDVKD-VLLLDVTPLSLGIETMGGVMTTLIAKNTTIPTKHSQVFSM----GGAVTIHVLQGERKRAADNKSLGQFNLDGINPAPRGMPQIEVTFDIDADGILHVSAKDKNSGKEQKITIKASSGLNEDEIQKMVRDAEANAEADRKFEELVQTRNQGDHLLHSTRKQVEEAGDKLPADDKTAIESALTALETALKGEDKAAIEAKMQEL--------------------------------

General information: TITO was launched using: RESULT: Template: 4JNE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 3097 127935 41.31 229.27 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : 41.31 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.507

(partial model without unconserved sides chains): PDB file : Tito_4JNE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JNE-query.scw PDB file : Tito_Scwrl_4JNE.pdb: