Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLFFVFSERRSISWHESVKLSLGVLAICVMSLAKLINELNAQQKKAATTMAQNCLVLAGAGCGKTKTIVARAAYLVDQ-GLPANQIQILTFTRRAASEIVARVEQHVG-AQAKGLRASTFHTFCMYLLRRNPQAFGL-TQFSIIDRDDQLLMFRLLRGK--DKDNVLPKAAELCDLYSYARNTQSKLSEALLKQLPEAYEYKSQIAELMKTYEQRKRERNFLDYDDILSIVDVHLQ-NSEVLTNWVAGFCQALLVDEMQDTNPLQWALLQPLIG-KVKLFCVGDDAQSIYGFRGADFENIHSFKERIPDAVIHTLDLNYRSTQEILDLSNWLLAHSPIDYQKQLQAHRGKGQKPQLHLFGNEFEEANWIAQDLIERHQQGANWY-DHMVLVRSGYSARYLEGAFIAAEIPYRFIGGVKLLESAHVKDVLSLLRIVSNPQDDLAWMRFL-TLWDGIGDVGASKLA-------QELMSICEVEERCQRLERHGKVPLQAIL-ILKQLDVL--QQHVEASIGL--ALDALSEQLEQNYKTKDWSRRVRDFDLVKQLARKHASLGEFLEEYVL-EPISISEI------------EKAGDDDLVTLITIHSAKGAEQKVCYVPHVSPNQYPYARAQGDFDEVEEERRVLYVALTRAENELILTKQNLNTWSQDTYDEQGRKIESYFLNDLPAHLVQAKIHRQVPQPFAKKQWNTSRTVNLGFGIDLD 1UAA Chain:A ((3-640)) --------------------------------------LNPGQQQAVEFVTGPCLVLAGAGSGKTRVITNKIAHLIRGCGYQARHIAAVTFTNKAAREMKERVGQTLGRKEARGLMISTFHTLGLDIIKREYAALGMKANFSLFDDTDQLALLKELTEGLIEDDKVL-----LQQLISTISNWKNDLKTPSQAAASAIGERDRIFAHCYGLYDAHLKACNVLDFDDLILLPTLLLQANEEVRKRW-QNKIRYLLVDEYQDTNTSQYELVKLLVGSRARFTVVGDDDQSIYSWRGARPQNLVLLSQDFPALKVIKLEQNYRSSGRILKAANILIANNPHVFEKRLFSELGYGAELKVLSANNEEHEAERVTGELIAHHFVNKTQYKDYAILYRGNHQSRVFEKFLMQNRIPYKISGGTSFFSRPEIKDLLAYLRVLTNPDDDSAFLRIVNTPKREIGPATLKKLGEWAMTRNKSMFTASFDMGLSQTLSGRGYEALTRFTHWLAEIQRLAEREPIAAVRDLIHGMDYESWLYETSPSPKAAEMRMKN---VNQL---FSWMTEMLEGSELDEPMTLTQVVTRFTLRDMMER--EEELDQVQLMTLHASKGLEFPYVYMVGMEEGFLPH-QSSIDEDNIDEERRLAYVGITRAQKELTFTLCK----ERRQYGELVRPEPSRFLLELPQDDLIW------------------------------

General information: TITO was launched using: RESULT: Template: 1UAA.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 : 3012 57567 19.11 95.78 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 19.11 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.393

(partial model without unconserved sides chains): PDB file : Tito_1UAA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1UAA-query.scw PDB file : Tito_Scwrl_1UAA.pdb: