Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKILQLIKQRSITRKLLVSFLS--ILIIPVV---------------ILAIFAYQSASSSLDRQMMGSALENVQQLNEIINTSIGEKENSADYFSEWLTKEKYNAKSNASIAEKFSQYISINKD-------------------VESIYTSDTKGH-----------FTRYPDLPMPSGYNPVERD--------WYKKAVANKGKVVI-------TDPYKTASTNTMVVTIAQQTKDGSGV------IAINMTIENLLKTTKK--VNIGTQGYAFIMTKDKK--------VVAHPNEQSGTELKGDWLDKMLSADKGDFQYTMDGDKKKMAFDTNKLTGWKIGGTMYLDEIHEAAQPVLHLALIVLA---------AAIIIGIIVMTLIIRSITTPLKQLVGSSKRI--------SEGDLTETIDIRSKDELGE-LGKSFNNMASSLR--SLIHAIQDSVDNVAASSEELTA-----SAAQTS------KATEHITLAIEQFSNGNEKQNENIETAAEHIYQMNDGLTNMA------QASEVITDSSVQSTEIASEGGKLVHQTVGQMNVIDKSVKEAEQVVRGLETKSKDITNILRVINGIADQTNLLALN-------AAIEAARAGEYGRGFSVVAEEVRKL--------AVQSADSAKEIEGLIIEIVKEINTSLGMFQSVNQEVQTGLDITDKTEMSFKRISE-MTNQIAGELQNMSATVQQLSASSEEVSGASEHIASISKESSAHIQDIA-ASAEEQLASMEEISSSAETLSSM----AEELRDMTKRFKIE--------------------------------------------------------------------- 4ZUZ Chain:A ((8-864)) ---DVIKFKEPERCDYLYVDENNKVHILLPIVGGDEIGLDNTCQTAVELITFFYGSAHSGVTKYSAEHQLSEYKRQLEEDIKAINSQKKISPHAYDDLLKEKIERLQQIEKYIELIQVLKKQYDEQNDIRQLRTGGIPQLPSGVKEIIKSSENAFAVRLSPYDNDKFTRFDDPLFNVKRNISKYDTPSRQAPIPIYEGLGYRLRSTLFPEDKTPTPINKKSLRDKVKSTVLSHYKDEDRIDGEKKDEKLNELITNLQNELVKELVKSDPQYSKLSLSKDPRGKEINYDYLVNSLMLVDNDSEIGDWIDTILDAT---VDSTVWAVQASSPFYQGAK---EISSDRDADKISIRVQYLLAEANIYCKTNKLSDANFGEFFDKEPHATEIAKRVKEGFTQGADIEPIIYDYINSNHAELGLKSPLTGKQQQEITDKFTKHYNTIKESPHFDEFFVADPDKKGNIFSHQGRISCHFLDFFTRQTKGKHPLGDLASHQEALQEGTSNRLHHKNEVVAQGYEKLDQFKKEVVKLLAENKPKELLDYLVATSPTGVPNYSMLSKETQNYIAYNRNWPAIQKELEKATSIPESQKQDLSRLLSRDNLQHDNLSAITWSKYSSKPLLDVELNKIAEGLELTAKIYNEKRGREWWFAGSRNEARKTQCEELQRVSKEINTLLQSESLTKSQVLEKVLNSIETLDKIDRDISAESNWFQSTLQKEVRLFRDQLKDICQLDKYYFKSTKLDEIISLEMEEQFQKIQDPAVQQIVRDLPSHCHNDEAIEFFKTLNPEEAAKVASYLSLEYREINKSTDKKTLLEQDIPRLFKEVNTQLLSKLKEEKAIDEQVHEKLSQLADKIAPEHFTRNNIIKWST

General information: TITO was launched using: RESULT: Template: 4ZUZ.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 : 3082 155454 50.44 238.43 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 50.44 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.256

(partial model without unconserved sides chains): PDB file : Tito_4ZUZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZUZ-query.scw PDB file : Tito_Scwrl_4ZUZ.pdb: