Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYLQDIDQQNMEGRKMKDMDIKAVFIGDKAENGPVYKMLLNKMVDEHLGWRENYIPSDMPAISEGDKLTPDYLATRDHMIEVLDEVSQRLRAGSIPWHSA-GRYWGQMNAETLMPALLAYNYAMLWNPNNVALESSMATSQMEAEVGQDFASLFNMTDGWGHIAADGSIANLEGLWYARCIKSIPLAVKEVLPEKVKKMSEWELLNLSVEEILEMTESFTDEEMDEVKAASSRSGKNIQRLGKWLVPQTKHYSWMKALDICGVGLDQMVAIPVQEDYRMDINALEKTIRELAGQKIPILGVVAVVGTTEEGQVDSVDKIVQLRERLKDEGIYFYLHVDAAYGGYARSLFLNEAGEFVPYASLAEFFEEHHVFH-HCVTIDKEVYEGFRAISEADSVTIDPHKMGYVPYAAGGIVIKHKNMRNIISYFAPYVFEKSVKAPDMLGAYILEGSKAGATAAAVWTAHRVL--PLNVTGYGQLIGASIEAAQRFREFLDHLTFTVKGKTIEVYPLNHPDFNMVNWVFKEQGCTDLNAINELNEKMFDRSSYMDGDVYGERFITSHTTFTQEDYGDSPIRFVERMGLTKEEWKKEQKITLLRAAIMTPYLNDDRIFNFYTKKIAKAMEKKLNEIIQ 5HSJ Chain:A ((7-617)) --------------SLKDLDLNALFIGDKAENGQLYKDLLNKLVDEHLGWRKNYIPSDPNMIGPEDQNSPAFKKTVGHMKTVLDQLSERIRTESVPWH-SAGRYWGHMNSETLMPALLAYNYAMLWNGNNVAYESSPATSQMEEEVGQEFARLMGYDYGWGHIVADGSLANLEGLWYARNIKSLPFAMKEVNPELVAGKSDWELLNMPTKEIMDLLENAGS-QIDEVKKRSARSGKNLQRLGKWLVPQTKHYSWMKAADIIGIGLDQVVPVPIDSNYRMDIQALESIIRKYAAEKTPILGVVGVAGSTEEGAVDGIDKIVALRQKLQKEGIYFYLHVDAAYGGYARALFLDEDDQFIPYKNLQKVHAENHVFTEDKEYIKPEVYAAYKAFDQAESITIDPHKMGYVPYSAGGIVIQDIRMRDTISYFA------GADIPALLGAYILEGSKAGATAASVWAAHHTLPLNV--TGYGKLEGASIEGAHRYYDFLKNLKFEVAGKRISVHPLISPDFNMVDYVLKEDGNDDLIEMNRLNHAFYEQASYVKGSLYGKEYIVSHTDFAIPDYGDSPLAFVESLGFSEVEWRHAGKVTIIRASVMTPYMNQRENFDYFAPRIKKAIQADLEKVY-

General information: TITO was launched using: RESULT: Template: 5HSJ.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 : 3277 -46331 -14.14 -77.09 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.89 3D Compatibility (PKB) : -14.14 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.551

(partial model without unconserved sides chains): PDB file : Tito_5HSJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HSJ-query.scw PDB file : Tito_Scwrl_5HSJ.pdb: