Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEERIQKSYQKYHANAFQTLLHLYQGNYWRFAMSGL-FFIIKHLPSWLMPIAIANVINAASSKD-S---SQLQAIYFNAFLMACLIGQNILTNYFHVKYHSTSIRQVEAGLRATLIKKIQELSIPYQKELQSGRIQSKIIRDVEAIQTLSSQVFVSGLNIAVNLFVALGITLYKSPVVFMFFLLTVPLAAFVTLFFRKRIRQSNSDFRQEMEETSAKVIEVIELAPIARAHGLEKHETTRLNKHFTQIYEKGFHLDILQSVFGSVSWASFQIFQLICLIFTGILALQGRIQPGDVVMYQTYFTTIVNSVSGMITLIPTISKGMESITSIGELLIAGDVETYHG---KK--KIQHLDGNFRFEDVSFLYPDS-LKPIIDHFSLEVKAGETIAFVGPSGSGKSTLLNLLIGFIQPTSGKIFLDDQPLDELDMRSVRNYLAVVPQTTLLFSASIKENITYGLKN---VSKERLDEVIEAAQLSSLIDQLPDGLDTLVGEHGNKLSGGQKQRISIARALIRQPKIILLDEATSALDNQSEKKIQQALNYLTETPTTFIVAHRLSTIKEADKIVVIDEGKIVEIGTYEKLLAQ-KGYFYRLKNE 4AYX Chain:A ((5-574)) --------------PEARKLLGLA-YPERRRLAAAVGFLTMSSVISMSAPFFLGKIIDVIYTNPTVDYSDNLT--RLCLGLS-AVFLCGAAANAIRVYLMQTSGQRIVNRLRTSLFSSILRQEVAFFDKTRTGELINRLSSDTALLGRSVTENLSDGLRAGAQASVGISMMFFVSPNLATFVLSVVPPVSIIAVIYGRYLRKLTKVTQDSLAQATQLAEERIGNVRTVRAFGKEMTEIEKYASKVDHVMQLARKEAFARAGFFGATGLSGNLIVLSVLYKGGLLMGSAHMTVGELSSFLMYAFWVGISIGGLSSFYSELMKGLGAGGRLWELL---EREPKLPFNEGVILNEKSFQGALEFKNVHFAYPARPEVPIFQDFSLSIPSGSVTALVGPSGSGKSTVLSLLLRLYDPASGTISLDGHDIRQLNPVWLRSKIGTVSQEPILFSCSIAENIAYGADDPSSVTAEEIQRVAEVANAVAFIRNFPQGFNTVVGEKGVLLSGGQKQRIAIARALLKNPKILLLDEATSALDAENEYLVQEALDRLMDGRTVLVIAHRLSTIKNANMVAVLDQGKITEYGKHEELLSKPNG--------

General information: TITO was launched using: RESULT: Template: 4AYX.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 : 2143 1038 0.48 1.87 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : 0.48 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.475

(partial model without unconserved sides chains): PDB file : Tito_4AYX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AYX-query.scw PDB file : Tito_Scwrl_4AYX.pdb: