Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKLIFMGTPDFSATVLKGLLTDDRYEILAVVTQPDRAVGRKKVIQETPVKQAAKEAGLSIYQPEKLSGSPEMEDLMKLGADGIVTAAFGQFLPSKLLD-SMDFAVNVHASLLPRHRGGAPIHYALIQGDEEAGVTIMEMVKEMDAGDMISRRSIPITDEDNVGTLFEKLALVGRDLLLDTLPAYIAGDIKPEPQDTSQVTFSPNIKSEEEKLNWNKTNRQLFNQIRGM-NPWPVAHTFLKGDRFKIYEAL--PVEGQGNPGEILSIGKKELIVATAEGALSLKQVQPAGKPKMDIASFLNGVGRTLTVGERFGD 4WKG Chain:A ((2-292)) --KTVVFAYHDMGCLGIEALLAAG-YEISAIFTHTDNP-----FYGS--VARLAAERGIPVYAPDNVNHPLWVERIAQLSPDVIFSFYYRHLIYDEILQLAPAGAFNLHGSLLPKYRGRAPLNWVLVNGETETGVTLHRMVKRADAGAIVAQLRIAIAPDDIAITLHHKLCHAARQLLEQTLPAIKHGNILEIAQRENEATCFGRRTPDDSFLEWHKPASVLHNMVRAVADPWPGAFSYVGNQKFTVWSSRVHPHASKAQPGSVISVAP--LLIACGDGALEI--------------------------------

General information: TITO was launched using: RESULT: Template: 4WKG.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 : 1348 -108192 -80.26 -405.21 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -80.26 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_4WKG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WKG-query.scw PDB file : Tito_Scwrl_4WKG.pdb: