Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKILVLHTGGTIA-MKENMLTGGVSPDVANPLLDAEITIPKHVELLVEDIFNLPSPHIMPSHMLVLKERILSAYA-SGISGVVITHGTDTLEETAFFLDTTIGNKLPIVLTGAMRSSNELGSDGLYNFESAIRVASCEEALDKGVLVVMNDEIHSARYVTKTHTTNVATFRTPTLGPIGLVTKNRILFLQEL--LETKR--LDISAVDGTIPIVKAYAGMQGD---LLEAIAHTKVDGLVIEALGAGNLPPQALAALEKLLVQKIPVVLVSRCFNGIAEPVYDYEGGGKELEKMGIIFCNSINSQKARLKLLIAVNYGLSGEELISFIQN 2HLN Chain:H ((4-311)) LPNIVILATGGTIAG--------------VETLIQAVPELKTLANIKGEQVASIGSENMTSDVLLTLSKRVNELLARSDVDGVVITHGTDTLDESPYFLNLTVKSDKPVVFVAAMRPATAISADGPMNLYGAVKVAADKNSRGRGVLVVLNDRIGSARFISKTNASTLDTFKAPEEGYLGVIIGDKIYYQTRLDKVHTTRSVFDVTNVD-KLPAVDIIYGYQDDPEYMYDASIKHGVKGIVYAGMGAGSVSKRGDAGIRKAESKGIVVVRSSRTGSGIVPPDAGQPG----------LVADSLSPAKSRILLMLAL---------------

General information: TITO was launched using: RESULT: Template: 2HLN.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain H - contact count / total energy / energy per contact / energy per residue : 1593 -34549 -21.69 -122.51 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain H : 0.78 3D Compatibility (PKB) : -21.69 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.543

(partial model without unconserved sides chains): PDB file : Tito_2HLN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HLN-query.scw PDB file : Tito_Scwrl_2HLN.pdb: