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 5HW0 Chain:B ((5-312)) LPNIVILATGGTIAG--------------VDTLINAVPEVKKLANVKGEQFSNMASENMTGDVVLKLSQRVNELLARDDVDGVVITHGTDTVEESAYFLHLTVKSDKPVVFVAAMRPATAISADGPMNLLEAVRVAGDKQSRGRGVMVVLNDRIGSARYITKTNASTLDTFKANEEGYLGVIIGNRIYYQNRIDKLHTTRSVFDVRGLT-SLPKVDILYGYQDDPEYLYDAAIQHGVKGIVYAGMGAGSVSVRGIAGMRKAMEKGVVVIRSTRTGNGIVPPDEELPG----------LVSDSLNPAHARILLMLAL---------------

General information: TITO was launched using: RESULT: Template: 5HW0.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 : 1620 -31700 -19.57 -112.41 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -19.57 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.567

(partial model without unconserved sides chains): PDB file : Tito_5HW0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HW0-query.scw PDB file : Tito_Scwrl_5HW0.pdb: