Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLHTPIGRLRTMGFIEGMSLLILLFIAMPLKYWAG--LP-----------------LAVTIVGSVHGGLFILYLLVLAYATFSVKWPLKWSAAGFIAAFVPFGNFLYDRGLRNYK 4W1W Chain:A ((104-196)) ---TPAG-LDTVFFSDSGSVSVEVAAKMALQYWRGRGLPGKRRLMTWRGGYHGDTFLAMSICDP-HGGMHSLWTDVLAAQVFAPQVPRDYDPA-YSAAF----------------

General information: TITO was launched using: RESULT: Template: 4W1W.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 : 123 -25043 -203.60 -338.42 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -203.60 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.075

(partial model without unconserved sides chains): PDB file : Tito_4W1W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4W1W-query.scw PDB file : Tito_Scwrl_4W1W.pdb: