Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKILVLHTGGTIAMKENMLTGGVSPDVANPLLDAEITIPKHVELLVEDIFNLPSPHIMPSHMLVLKERILSAYA-SGISGVVITHGTDTLEETAFFLDTTIGNKLPIVLTGAMRSSNELGSDGLYNFESAIRVASCEEALDKGVLVVMNDEIHSARYVTKTHTTNVATFRTPTLGPIGLVTKNRILFLQEL--LETKR--LDISAVDGTIPIVKAYAGMQGD---LLEAIAHTKVDGLVIEALGAGNLPPQALAALEKLLVQKIPVVLVSRCFNGIAEPVYDYEGGGKELEKMGIIFCNSINSQKARLKLLIAVNYGLSGEELISFIQN 1HFW Chain:A ((4-311)) LPNIVILATGGTIA--------------VDTLINAVPEVKKLANVKGEQFSNMASENMTGDVVLKLSQRVNELLARDDVDGVVITHGTDTVEESAYFLHLTVKSDKPVVFVAAMRPATAISADGPMNLLEAVRVAGDKQSRGRGVMVVINDRIGSARYITKTNASTLDTFRANEEGYLGVIIGNRIYYQNRIDKLHTTRSVFDVRGLT-SLPKVDILYGYQDDPEYLYDAAIQHGVKGIVYAGMGAGSVSVRGIAGMRKALEKGVVVMRSTRTGNGIVPPDEELPG----------LVSDSLNPAHARILLMLAL---------------

General information: TITO was launched using: RESULT: Template: 1HFW.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 : 1554 -119249 -76.74 -422.87 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -76.74 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.550

(partial model without unconserved sides chains): PDB file : Tito_1HFW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1HFW-query.scw PDB file : Tito_Scwrl_1HFW.pdb: