Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKMSRRAYAEMFGPTVGDRIRLADTALFIEVEQDLTTYGEEVKFGGGKVIRDGMGQSQLLADEVADTVITNALIVDWWGIVKADVGLKNGRIWKIGKAGNPDIQPDITIPLGAATEVIAGEGQILTAGGIDTHIHWICP---------QQVETALMSGTTTMVGGGTGPAAGTSATTVTPGPWHIATMLQAI-DDLPMNIGLLGKGNLS----LPDPIREQIKAGVIGLKLHEDWGSTPAAIDNCLSVADEYDVQVAIHTDTLNEG--G-----------------------FLEETL--AAFKDRTIHTYHTEGAGGGHAPDILKAIGQSNVLPS-STNPTRPYTINTIDEHLDMLMVCHHLDPAIAEDI----AF--AESRIRR-ETIAAEDILQDLGAIVMMSSDSQAMGRVGEVILRTWQTA-HKMKVQRGPLEGDN---EFHDNNRIKRYIAKYTINPAITHGLSHEIGSVEVGKLADLVLWKPAFFGV----------------------KPSMIIKGGMIAAAPMGDINASIPTPQPVHYRPMFGAYPRGVHNTCITFLSQAAIDEKVAEKLNLKKLISPCKNTRSITKADMKHNTYCPVMQVHPETYEVRADGELLTCEPADVLPMAQRYFLF 3GRI Chain:A ((2-422)) ------------------------------------------------------------------KLIKNGKVLQNGELQQADILIDGKVIKQIAPAIEP----------SNGVDIIDAKGHFVSPGFVDVHVHLREPGGEYKETIETGTKAAARGGFTTVCPMPNTRPVPD-------SVEHFEALQKLIDDNAQVRVLPYASITTRQLGKELVDFPALVKEGAFAFTDDGVGVQTASMMYEGMIEAAKVNKAIVAHCEDNSLIYGGAMHEGKRSKELGIPGIPNICESVQIARDVLLAEAAGCHYHVCHVSTK---ESVRVIRDAKRAGIHVTAEVTP-------------------HHLLLTE-DDIPGNNAIYKMNPPLRSTEDREALLEGLLDGTIDCIATDHAPHARDEKA--QPMEKAPFGIVGSETAFPLLYTHFVKNGDWTLQQLVDYLTIKPCETFNLE--YGTLKENGYADLTIIDLDSEQEIKGEDFLSKADNTPFIGYKVYGNPILTMVEGEVKFEG--------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3GRI.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 : 1931 -18619 -9.64 -53.81 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -9.64 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.392

(partial model without unconserved sides chains): PDB file : Tito_3GRI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GRI-query.scw PDB file : Tito_Scwrl_3GRI.pdb: