Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------MASAARPIRDYLPGLLVLAGGLYTVYY--------YYMYWIRVYGALCLPGYGDPVKVEVTQGIWIRL--DAILFPTVFG---VILALLGVMLVWKKKFGAAVVALVLSATVINWPAFIMIAGGALLGLLFWRKTLLPTIDLPDETMEWVDAEAGLS-VLKSFRRLPSERLAYSFHNEGGGRFVVKETSSAESAERETRVLNAAAENGLPAPEAKATDGRFLLMPQLDGFPFLQPLDFEAWTDEIAGILTTTHSAPKPDMKARRRPAEPVIPDRAFDRANWERAARIFREETADAVPVFVHGDFEPANVLFSGGRATGLTGWDHAGSGPAQLDV--GRMRVALELIHGG-NVADRF-----LAKYKNLSKDRSFRYSRYWDLLAVYG--WLEQDPG-SIASHWRRFGITTLSEDEVMRRLERFVKTLTDKE 4XD1 Chain:A ((21-417)) MKLIIAGKNNIAVDVTKWIIKTISDI-----ELYSVCNENDHGNDSFQLSFKKFCIQFNIPIISLEDAYHLEDAIFLSLEFDKIIHPSKFTHNRIFNIHFSYLPAYKGMYTSAWPILNNEQES--GVTLHKIDHGIDTGAIIDQQKFPLDIEETAKTLYLKYIKIGTEIVIKNLPALISGNYSIVEQSAIKSSYYSKKSIDYKNLMID---LNKTAHEILQQIRAFTF--RDYQLPRIDDIDIFH------------GEILSSKSLSKPGTILEKNNYHLILSTIDYDIKLYSDNFDEILTACEDKSPEFISKLLKTENILFEK---------NHLGASPIIIAAYHGNMDVIEWLVSKGVNINDRNYKGTTVAMYFKDYMLRSGNYTGLENLINLGLDLFLKDNEGLSVFDYMRKNK---------NIELFNFMSTFN---

General information: TITO was launched using: RESULT: Template: 4XD1.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 : 1842 -24945 -13.54 -69.10 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -13.54 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.126

(partial model without unconserved sides chains): PDB file : Tito_4XD1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4xd1-query.scw PDB file : Tito_Scwrl_4XD1.pdb: