Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRLKTPMKAIHKNLLLTRTGDVWAYYRIKSNSIPMQNKEKVESYKKKWQHLFEEITSYEDFHLMMYPSEYELEKRFKDLETDIAADAMDVARYYNEETVRLLEQRLGRLTKYDFILGVKLKSSLVNISVELKDNILSFFNTATDTVVKMLGWEQNVSTSFFEKYEEVEETLANIMASVRGERLSETEMTYINRYHFVRGLKHQTNEESEIKDVRSITNTIIDPTDPSVLHLHSDQDEGYSAFVVIDEFLHNMSESDLFYEAQSLPFPVEVQMKIQTESKSITKPALNLKRQQLKEEQKEQQSTGDRSDVSTVTSATMIRHLQDEIKKEDVHVMNWLSVIVVHGKTKKECVGKATIVKRHLKG-AG-ITCRLPVADQLNLFYKML-PGEKLDITDKNWIQKTTQDGV---AESLF-AVNSDIGSKI-GFFLGWVDRFQEHTDLESAIMSSRDFVLFHPFLANQQLKGSKTRSPHCLITGDTGNGK-SYLAKLIFN-----YISMLNIKSLYIDPKKEMRKWIQRVLNDEYIRENFPLYIAH-LEKYNYITLDHENTHNWGALDPISFLPPMKAKELVQVIF-EQVYDFKGKDDINTAFLR-A-TSEVIDAKQKGEQVGSLDIIRKMQSHPEEAVQKAGDYLNEVVSDSILKLCIHDGSNPALSLEKRITILEVENMDLPDHAERLENYTISQLKSSAVMFALGKFCELFGMNQDEQTVEFIDEAWIFTTSQQGKKVERQMRRIGRSYNNAEYFISQSTKDALKEEDSGNFGVAFAFDEPNEREEVLKWMNMEVTKDNKKMMESMFQGQCLFKDYYGRTSKISIECLFEEWQGALKTVEKKAVAYAEEKYL 4RGL Chain:A ((8-335)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YQPPYTITPAIVNLVAEIGEIIGRYTVLAEQNLTPRLRRENRIRTIQASLAIENNTLTLEQVTAVIDGKRVLGHPREIQEVRNAFATYEAMEDWDASVEGDLLAAHELLMRG----LVDETGRYRSGGVGIFRGEQLVHMAPPADRVPKLMADLLDWLENTNEH-PLVASCIFHYEFEFIHPF--------------------ADGNGRMGRLWQTLILRNWKPLLAYLPVETVIRDRQEDYYRVLAVADSQA----DATPFVEFMLGALRDAVREAVSTDHQVTDQVAALIRAIGGGELSSNDLMQAL-GLSHRPTFRNNYLNPAMEDEWIERTQPDSPRSPTQRYRLTGKGQR---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4RGL.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 : 1232 -103326 -83.87 -336.57 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -83.87 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.248

(partial model without unconserved sides chains): PDB file : Tito_4RGL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RGL-query.scw PDB file : Tito_Scwrl_4RGL.pdb: