Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPSHLTHIWRLLKWGRTLARHGALTGIERDPLTPTPVRRLVRVARLGARVPRQPRYADAFQSIGPAAIKLGQTLATRPDLVGEDAANDLLRLQDALPPVPFATIRAQMEQSFGRPLETLYSRFDEAPVGAASIAQVHRAVTTDGRDVAVKVIRPGVIDQFNRDIQTYEWAAAHVEMLGGEVARLRPRLVIANMKRWTARELDLRREAASASELGEAMEAMPGYRVPAIDWDRTTGKVMTMEWIDGVKISDRDALIAAGHDVKEIAARLVNAFLRQAIAEGFFHADMHQGNLFVTANGDIVAIDFGIMGRIDRRARMWLAEILYGLITGNYRRVAEIHFEAQYVPGHHNVEEFATALRAVGEPMRGKPVRELSVGGMLDGLFAITRDFDMQTQPHLLLLQKTMVMVEGVATALDPDINLWETSGPYVKEWLRAELGPEAKAADALIENVRILQRLPGLVKRIEEAFPE-KGGAPPPPPLTEVRLIRVGSGWRYMLVALLAGLAGAGAMAAATTFL 3Q6K Chain:A ((1-380)) -ADTQGYKWKQLLYNNVTPGS-----YNPDNMISTAFAYDAEGEKLFLAVPRKLPRV----------------------------------------PYTLAEVDTKNSLGVKGKHSPLLNKFSGHK-TGKELTSIYQ-PVIDDCR-RLWVVDIGSVEYRSRGAKDYP--------------SHRPAIVAYDLKQ---PNYPEVVRYYFPTRLVEKPTYFGGFAVDVAN-PKGDCSETFVYITN----FLRGALFIYDHK-KQDSWNVTHPTFK------------AERPTKFDYGGKEYEFKAGIFG------------ITLGDRDSEGNRPAYYLAGS-------AIKVYSVNTKELKQKGGKLNPELLGNRGKYNDAIALAYD------------PKTKVIFFAEAN--TKQVSCWNTQKMPL----RMKNTDVVYTSSRFVFGTDISVDSKGGLWFMSNGFPPIRKSEKFKYDFPRYRLMRIMD-----TQEAIAGTACDMN--------

General information: TITO was launched using: RESULT: Template: 3Q6K.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 : 2340 -135691 -57.99 -358.02 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -57.99 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.167

(partial model without unconserved sides chains): PDB file : Tito_3Q6K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3q6k-query.scw PDB file : Tito_Scwrl_3Q6K.pdb: