Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKLVAAIEKQQGKFEKISTNNYMMAIKDGFIATMPLIMFSSFLMIIIMIP-------------KNFGVELPSPAIVWMRKVYMLTMGVLGIIVSGTVGKSLVGNVNRKMPHGKVINDISAMLAAICSYLVLTVTLVVDEKTGSTS-------LSTNYLGSQGLITSFVSAFITVNVYRFCIKRDITIHLPKEVPGAISQAFRDIFPFSFVLLISGLLDIVSRFSLDVPFAQVFQQLLTPIFK--GAESYPAMMLIWFMCALLWFVGIHGPSIVLPAVTALQLSNMEENAQLLANGQFPYHSLTPNFGNYIAAIGGTGATFVVPFILIFFMRSKQLKSVGKATITPVLFAVNEPLLFGMPVILNPYLFVPFLMTPPVNVFLGKVFIDFFGMNGFYIQLP------WAFPGPLGLLIGTNFQPISFVLLSLM-LVVDILIYLPFCRAYDRQLLMKEDVASSNGIILEEDTSEIMPGEIDVIKSKELKVLVLCAGSGTSAQLANAINEGAQLAEVRVIANSGAYGAHYDIMGVYDLIILAPQVRSYYREMKVDAERLGIQIVATRGMEYIHLTKNPSKSLQFVLEHYQAV 3QNQ Chain:A ((15-425)) ----------------KVAEQRHLLAIRDGLVLTMPFLIIGSIFLIISTLPIPGYSEFMASLFGKNWNVALGYPVSA--------TFNIMALI-------AVFGIAYRLGEYYKV-DALASGALSLVTFLLATPFQVAYIMPGTKESILVDGVIPAALMGSQGLFVAMIIAIISTEIYRFLVQKKMIIKMPETVPPAVTRSFAALIPGFIVVTVVWIIRLIFEHTTFGSIHNVVGKLLQEPLSILGASLWGAVIAV-ILVHVLWACGIHGATIVGGVMSPIWLSLMDQNRIAFQAGQDVPNTITAQFFDLWIYMGGSGATLALVVGMLLFARSQQLKSLGRLSIAPGIFNINEMVTFGMPIVMNPLLLIPFIVVPVV-----LTIVSYFAMEWGLVARPSGAAVTWTTPILFSGYLGSGGK-ISGVILQLVNFALAFVIYLPFLKIWDKQ------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3QNQ.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 : 1823 -259247 -142.21 -678.66 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -142.21 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.300

(partial model without unconserved sides chains): PDB file : Tito_3QNQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QNQ-query.scw PDB file : Tito_Scwrl_3QNQ.pdb: