Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNAVVIAVLLMLVLSLLRVNIVIALIIGALAGGLTGGLGLGETVKAFTDGLGGNATVAVSYAMLGAFAAALTKTGLPDAMVEASVKLIGNKEDSRKKALSKVLIVLIILIVSCFSQNVVPVHIAFIPVLIPPLLKIFNELEMDRRLIACVITFGLTAPYILL----PVGFGQIFQGMLKDNMADAGLN-VPLADIPYALIIPVAGM-VVGLILSVIVYRKPKQYE--T---KD-IS-----GA-EASPYTRKSI-GIAVLAIVVSLGVQLY--LSQTL--GVEG----------M-IM---GALAG---LIVLFVSG-VMKRDEADSLITDGMVLMAFIGFVMLVAAGFSNVLTKTGDVESLVKTSAGFIGH---SQSLGALLMLIVGLLITMGIGSSFATIPVITTIFVPLCMQLGFSPMATIAIIGAAAALGDAGSPASDSTLGPTSGLSADGQHHHIWDTCVPTFIFYNIPLVIFGWIAALVL 4R1I Chain:A ((78-497)) --------------------------------------GLIKILTHTVKNFTGFAPLGTV-LVSLLGVGIAEKSGLISALMRLLLTKSPRK--------LTTFMVVFTGILSNTA-SE-----LGYVVLIPLSAVIFHSLGRHPLA-GLAAAFAGVSGGYSANLFLGTIDPL--LAGITQQA--AQIIHPDYVVGPEANWFFMAASTFVIALIGYFVTEKIVEPQLGPYQSDLSQEEKDIRHSNEITPLE-YKGLIWAGVVFIALSALLAWSIVPADGILRHPETGLVAGSPFLKSIVVFIFLLFALPGIVYGRITRSLRGEREVVNAMAESMSTLGLYLVIIFFAAQFVAFFNWTNIGQYIAVKGAVFLKEVGLAGSVLFIGFILICAFINLMIGSASAQWAVTAPIFVPMLMLAGYAPEVIQAAYRIGDSVTNIITPMMSYFGLIMATVMKYKKDAGVGT-----LISMMLPYSAFFLIAWI--

General information: TITO was launched using: RESULT: Template: 4R1I.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 : 1736 -204865 -118.01 -544.85 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -118.01 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.287

(partial model without unconserved sides chains): PDB file : Tito_4R1I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R1I-query.scw PDB file : Tito_Scwrl_4R1I.pdb: