Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEANMKHLKTFYKKWFQLLVVIVISFFSGALGSFSITQLTQKSSVNNSNNNSTITQTAYKNENSTTQAVNKVKDAVVSVITYSANRQNSVFGNDDTDTDSQRISSEGSGVIYKKNDKEAYIVTNNHVINGASKVDIRLSDGTKVPGEIVGADTFSDIAVVKISSEKVTTVAEFGDSSKLTVGETAIAIGSPLGSEYANTVTQGIVSSLNRNVSLKSEDGQAISTKAIQTDTAINPGNSGGPLINIQGQVIGITSSKIA-TNGGTSVEGLGFAIPANDAINIIEQLEKNGKVTRPALGIQMVNLSNVSTSDIRRLNIPSNVTSGVIVRSVQSNMPANGHLEKYDVITKVDDKEIASSTDLQSALYNHSIGDTIKITYYRNGKEETTSIKLNKSSGDLES 3LGI Chain:B ((4-231)) ----------------------------------------------LNPLSTPQFDSTDETPASYNLAVRRAAPAVVNVYNRGLNTNS---------HNQLEIRTLGSGVIMDQRG---YIITNKHVINDADQIIVALQDGRVFEALLVGSDSLTDLAVLKINATGGLPTIPINARRVPHIGDVVLAIGNPYNLG--QTITQGIISATGR-----IGLNPTGRQNFLQTDASINHGNSGGALVNSLGELMGINTLSFDKSNDGETPEGIGFAIPFQLATKIMDKLIRDGRVIR---------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3LGI.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 : 1192 -79793 -66.94 -351.51 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -66.94 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.617

(partial model without unconserved sides chains): PDB file : Tito_3LGI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LGI-query.scw PDB file : Tito_Scwrl_3LGI.pdb: