Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKLVFMGTPAFSVPILEGLIESGYEIQAVVTQPDRPVGRKRVITPTPVKEAALKHGIRVLQPEKISGSPEMEEIIELVPDVIVTAAFGQFLPEKLLQVPKLGAINVHASLLPKYRGGAPVHYAIMNGEKETGVTIMEMIKKMDAGGIYAQESIPITKQDDVGTMFEKLSLLGRKLLLETLPNILDGQ-KPVPQDESEATFSPNITREQEAIDWHKTAEEIDNQVRGMRPWPIAFTTYEGIRWKLLSVEVLAETTDKAPGTIIRKDKKNLWIACGKQTVLAINELQPAGKGKQAVHDFLNGSGQQVQIGQQVK 3TQQ Chain:A ((4-312)) --KIVFAGTPQFAVPTLRALIDSSHRVLAVYTQPD----------ESPVKEIARQNEIPIIQPFSLRDEVEQEKLIAMNADVMVVVAYGLILPKKALNAFRLGCVNVHASLLPRWRGAAPIQRAILAGDRETGISIMQMNEGLDTGDVLAKSACVISSEDTAADLHDRLSLIGADLLLESLAKLEKGDIKLEKQDEASATYASKIQKQEALIDWRKSAVEIARQVRAFNPTPIAFTYFEGQPMRIWRATVVDEKTDFEPGVLVDADKKGISIAAG-SGILRLHQLQLPGKRVCSAGDFINAHGDKLIPGKTV-

General information: TITO was launched using: RESULT: Template: 3TQQ.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 : 1602 -128835 -80.42 -432.33 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -80.42 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.527

(partial model without unconserved sides chains): PDB file : Tito_3TQQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TQQ-query.scw PDB file : Tito_Scwrl_3TQQ.pdb: