Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------MAHKHKLDSILDFPEASEREDNIIELKTWMSRLRCNKDDQIKSNSVVNAELILTNDSNLAGTIAYNEFSGYIHLLKDSPWINRTAGEWEDSFEDALTAYIEENYNVVFDDNKIHKAVVNVARKNVFNPVKERIEKVKWDQQPRLETLFIDLLGVDDNLYTREVTKRWIVGSVARIYKPGIKFEIVPVLDGPQGIGKSTVPALLYTDDFFTDSLDSLGEKKDDYMQLQGNVIIELGELSSMNKTKIEQI----------KNFISAKIDKIRPPY-GRNVIAWARQCVFIGTSNDGQYLKDDTGNRRFYPLPCKNKPKMNPFKTKDEYFLQVLAEAKVLFDKGQRIYFSPDEDKEVLEIAKDYQEDAKMENPIKEAITKYLEMEIPYKWEEAPAWARRSYYQNYPDSKCNEKNLQHFYNGATMQQEFYLVDSVLTADILEAVFDKQAKDLLNGRSDAETKKIALIISSIPGWERKQLPKRN----KRRGFYNKSNAYENKNRAGKYKK--------------------------- 5UDB Chain:C ((52-614)) VNVEKRWELYHQLHSHFHDQVDHIIDNIEADLKAEISDLL--YSETTQKRRCFNTIFLLGSDSTTKIEL-KDESSRYNVLIELTPKESPNVRMMLRRSMYKLYSAADAEEHVSYDLSLVENFKRLFGKDL---AMVFNFKDVDSINFNTLDNFIILLKSAFKYDHVKISLIFNINTNLSNIEKNLRQSTIRLLKRNYHKLDVSSNKGFKYGNQIFQSFLDTVDGKLNLSDRFVEFILSKMANNTNHNLQLLTKMLDYSLMSYFFQNAFSVFIDPVNVDFLNDDYLKILSRCPTFMFFVEGLIKQHAPADEILSLLTNKN-------RGLEEFFVEFLVRENPINGHAKFVARFLEEELNI----TNFNLIELYHNLLIGKLDSYLD-----RWSACKEYKDRLHFE--PIDTIFDNLLSWEQVLPSLDKENY--DTLSGAPVLGQLFKLYREA--NMTINIYDFYIAFR-ETLPKEEILNFIRKDPSNTKLLELAETPDAFDKVALILFMQAIFAFENMGLIKFQSTKSYDLVEKCVWR

General information: TITO was launched using: RESULT: Template: 5UDB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1515 94089 62.10 203.66 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain C : 0.62 3D Compatibility (PKB) : 62.10 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.188

(partial model without unconserved sides chains): PDB file : Tito_5UDB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5UDB-query.scw PDB file : Tito_Scwrl_5UDB.pdb: