Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFQQEISQLN-LQQLKAGEKRWVGSLLGSSAALLLKEIATQHSSLLVLVARNNQHVAQLESELEFYGV-KPTIFPDWEILPYDRLSPHQDIVSERLAILSNMPQ--KGVLLISASTLAQRVAPYSWVLGEHFDIKVGQKFDLEQQKLRLVQAGYHLVDTVYDHGEFAVRGSIMDIFASGQESPIRIDLFDDEIDSLKFFDPETQRTTTTLKSFTVLPAKEFPLKEGRSV-FRDRYSEFFPTANPKKNPIYQDVLDGIASPGIEFYLPLF----FDKEQMQTQSMFTKYLPKNCIVITTNDIDTDLTNFWKEVMRRYEDRRHNMDQPILAP--EELFISPNHLLSALNQFPRMLVSAETI---EEKAGALNLKTEQPPKLPVDPKKEKPFSAVKKYIDE---ANHPVLLVAESAGRRESLKDALRSSLGEIPNVENFEQFQI---SQFAIAITNAPLDRGLLLTD-QLTVISENQLYEHRVVQRRRKRQQEVSEEFLIRSLTELSIGAPVVHIDYGVGRYAGLITLAIEGQDYEFLQLDYAEDAKVYVPVTNLHLISRYSGGDPDSAPLHKIGTDAWSKAKRKALEQIHDVAAELLHIQARRQSKPGFAFELDQSLYMQFASGFAYEETLDQANAIEATLYDMQQAKPMDRLVCGDVGFGKTEVAMRAAFVAVQNGKQVAVLVPTTLLAQQHYESFKDRFADWPVRIEVLSRFGSNKTHLKNIEDLANGKVDIVVGTHKLLQENVQFKDLGLMVVDEEHRFGVRDKERIKALRADVDMLTLTATPIPRTLNMAFSGMRDLSIIATPPARRLAVKTFVQEHTDASIKEAILRELLRGGQVYFLHNEVETIERAAENIRVLVPEARVAVAHGQMRERELEQVMQQFYHKEYNVLVCSTIIETGIDVPNANTILIERADKLGLAQLHQLRGRVGRSHHQAYAYLLVPSIKHLKGDAEKRLDAIQRASTLGAGFMLATEDLEIRGAGELLGEQQSGSMQAIGYSLYMEMLEKETKAIQQGKTPNFDAPLSLTAEINLHIPALIPDDYLGDVHQRLLFYKRISNTDTQEKLDNIRMELIDRFGIPPQSVKHLFSVHQIRLKAEHLGIKKIDINTQGGNIEFSPDTPVQAISIIQLI-QKNPTYYRMEGGQRLKVMVQLEEYEKRIQFINDLLQKLMSELHA 2EYQ Chain:A ((5-1148)) -----PEQYRYTLPVKAGEQRLLGELTGAACATLVAEIAERHAGPVVLIAPDMQNALRLHDEISQFTDQMVMNLADWETLPYDSFSPHQDIISSRLSTLYQLPTMQRGVLIVPVNTLMQRVCPHSFLHGHALVMKKGQRLSRDALRTQLDSAGYRHVDQVMEHGEYATRGALLDLFPMGSELPYRLDFFDDEIDSLRVFDVDSQRTLEEVEAINLLPAHEFPTDKAAIELFRSQWRDTFEVKRDPEHIYQQVS-KGTLPAGIEYWQPLFFSEPLPPLF--------SYFPANTLLVNTGDLETSAERFQADTLARFENRGVDPMRPLLPPQSLWLRVDELFSE--LKNWP---RVQLKTEHLPTKAANANLGFQKLPDL-AVQAQQK--APLDALRKFLETFDGPVVFSVESEGRREALGELL-----ARIKIAPQRIMRLDEASDRGRYLMIGAAEHGFVDTVRNLALICESDLLGERVARRRQDSRRTINPDTLIRNLAELHIGQPVVHLEHGVGRYAGMTTLEAGGITGEYLMLTYANDAKLYVPVSSLHLISRYAGGAEENAPLHKLGGDAWSRARQKAAEKVRDVAAELLDIYAQRAAKEGFAFKHDREQYQLFCDSFPFETTPDQAQAINAVLSDMCQPLAMDRLVCGDVGFGKTEVAMRAAFLAVDNHKQVAVLVPTTLLAQQHYDNFRDRFANWPVRIEMISRFRSAKEQTQILAEVAEGKIDILIGTHKLLQSDVKFKDLGLLIVDEEHRFGVRHKERIKAMRANVDILTLTATPIPRTLNMAMSGMRDLSIIATPPARRLAVKTFVREYDSMVVREAILREILRGGQVYYLYNDVENIQKAAERLAELVPEARIAIGHGQMRERELERVMNDFHHQRFNVLVCTTIIETGIDIPTANTIIIERADHFGLAQLHQLRGRVGRSHHQAYAWLLTPHPKAMTTDAQKRLEAIASLEDLGAGFALATHDLEIRGAGELLGEEQSGSMETIGFSLYMELLENAVDALKAGREPSLEDLTSQQTEVELRMPSLLPDDFIPDVNTRLSFYKRIASAKTENELEEIKVELIDRFGLLPDPARTLLDIARLRQQAQKLGIRKLEGNEKGGVIEFAEKNHVNPAWLIGLLQKQPQHYRLD-GPTRLKFIQDLSERKTRIEWVRQFMRELEEN---

General information: TITO was launched using: RESULT: Template: 2EYQ.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 : 5986 98346 16.43 87.65 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : 16.43 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.467

(partial model without unconserved sides chains): PDB file : Tito_2EYQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2EYQ-query.scw PDB file : Tito_Scwrl_2EYQ.pdb: