Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQLHRRMGTFSLMMVGLGSMIGSGW--LFGAWRAAQIAGPAAIISWVIGMVVILFIALSYSELGSMFPEAGGMVKYTQYSHGSFIGFIAGWAN---WIAIVSVIPVEAVASVQYMSSWPWEWAKWTSGLVKNGTLTGEGLAFASVLLLIYFL-LNYWTVNLFSKANSLITIFKIIIPGLTIGALLFVGFHGENFTGGQSIAPNGWASVLTAVATSGIVFA-------FNGFQSPINMAGEAKNPGKSIPIAVVGSLFVATVIYVLLQIAFIGAVNPSDIAHGWSHLNFNSPFADLAIAL-----NINWLVIVLYADAFVSPSGTGITYTATTSRMIYGMEKNKYMPSIFGKLHPIYGVPRQAMFFNLIVSFIFLFLFRGWGVLAEIISVATLISYITGPITVMTLRRTGKDLYRPLRLKGLNVIAPLGFIFASLVLYWARWPLTGQVLFIILIGLPIYFYYQAKAKWKGFGRNFKAGVWMVFYLLAMMVISYLGSDKFGGLNVIHYGWDMVLIAMVSLVFYVWALKSGYQTEYLKDAKEINSQLLNGQSEAAAGKE 3GI8 Chain:C ((1-356)) MELKNKKLSLWEAVSMAVGVMIGASIFSIFGV--GAKIAGRNLPETFILSGIYALLVAYSYTKLGAKIVSNAGPIAFIHKAIGDNI--ITGALSILLWMSYVISIALFAKGFAGYF--LP----------LINAPINTFNIAITEIGIVAFFTALNFFGSKAVGRAEFFIVLVALLILGLFI------------FAGLITIHPSYVIPDLAPSAVSGMIFASAIFFLSYMGFGVITNASEHIENPKKNVPRAIFISILIVMFVYVGVAISAIGNLPIDELIKASEN--------ALAVAAKPFLGNLGFLLISIGALFSISSAMNATIYGG--ANVAYSLAKDGELPEFFER--KVWFKSTEGLYITSALGVLFALLFNMEGV-ASITSAVFMVIYL----------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3GI8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1718 -244129 -142.10 -722.27 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain C : 0.63 3D Compatibility (PKB) : -142.10 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.351

(partial model without unconserved sides chains): PDB file : Tito_3GI8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GI8-query.scw PDB file : Tito_Scwrl_3GI8.pdb: