Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNYISNQLLSGLNPVQQEAVKTTDGPLLLMAGAGSGKTRVLTHRIAYLMAEKHVAPWNILAITFTNKAAREMKERVESILG-PGADDIWISTFHSMCVRILRRDIDRIGINRNFSILDTADQLSVIKGILKERNLDPKKFDPRSILGTISSAKNELTEPEEFSKVAGGYYDQVVSDVYADYQKKLLKNQSLDFDDLIMTTIKLFDRVPEVLEFYQRKFQYIHVDEYQDTNRAQYMLVKQLAERFQNLCVVGDSDQSIYRWRGADITNILSFEKDYPNASVILLEQNYRSTKRILRAANEVIKNNSNRKPKNLWTENDEGIKISYYRGDNEFGEGQFVAGKIHQLHSTGKRKLSDIAILYRTNAQSRVIEETLLKAGLNYNIVGGTKFYDRKEIKDILAYLRLVSNPDDDISFTRIVNVPKRGVGATSLEKIASYAAINGLSFFQAIQQVDFI-GVSAKAANALDSFRQMIENLTNMQDYLSITELTEEILDKTEYREML--KAEKSIEAQSRLENIDEFLS-VTKNFEQKSEDK--TLVAFLTDLALIADIDQLDQKEEESGGKDAITLMTLHAAKGLEFPVVFLMGLEEGVFPHSRSLMEEAEMEEERRLAYVGITRAEQELYLTNAKMRTLFGRTNMNPESRFIAEIPDDLLENLNEKKETRATSARKMQPRRGPVSRPVSYASKTGGDTLNWAVGDKAGHKKWGTGTVVSVKGEGEGTELDIAFPSPVGVKRLLAAFAPIEKQ 1UAA Chain:B ((3-642)) -----------LNPGQQQAVEFVTGPCLVLAGAGSGKTRVITNKIAHLIRGCGYQARHIAAVTFTNKAAREMKERVGQTLGRKEARGLMISTFHTLGLDIIKREYAALGMKANFSLFDDTDQLALLKE-LTEGLIEDDKVLLQQLISTISNWKNDLKTPSQAAASAIGERDRIFAHCYGLYDAHLKACNVLDFDDLILLPTLLLQANEEVRKRWQNKIRYLLVDEYQDTNTSQYELVKLLVGSRARFTVVGDDDQSIYSWRGARPQNLVLLSQDFPALKVIKLEQNYRSSGRILKAANILIANNPHVFEKRLFSELGYGAELKVLSANNEEHEAERVTGELIAHHFVNKTQYKDYAILYRGNHQSRVFEKFLMQNRIPYKISGGTSFFSRPEIKDLLAYLRVLTNPDDDSAFLRIVNTPKREIGPATLKKLGEWAMTRNKSMFTASFDMGLSQTLSGRGYEALTRFTHWLAEIQRLAEREPIAAV-RDLIHGMDYESWLYETSPSPKAAEMRMKNVNQLFSWMTEMLEGSELDEPMTLTQVVTRFTL-RD--------EEL---DQVQLMTLHASKGLEFPYVYMVGMEEGFLPHQSSI-DEDNIDEERRLAYVGITRAQKELTFTLCKERRQYGELVRPEPSRFLLELPQDDLIWEQ----------------------------------------------------------------------------------------

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 B - contact count / total energy / energy per contact / energy per residue : 3232 -277579 -85.88 -444.13 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -85.88 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.452

(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: