Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MPSHLTHIWRLLKWGRTLARHGAL---TGIERDPLTPTPVRRLVRVARLGARVPRQPRYADAFQSIGPAAIKLGQTLATRPDLVGEDAANDLLRLQDALPPVPFATIRAQMEQSFGRPLETLYSRFDEAPVGAASIAQVHRAVTTDGRDVAVKVIRPGVIDQFNRDIQTYEWAAAHVEMLGGEVARLRPRLVIANMKRWTARELDLRREAASASELGEAMEAMPGYRVPAIDWDRTTGKVMTMEWIDGVKISDRDALIAAGH--DVKEIAARLVNAFLR---QAIAEGFFHADMHQGNLF-VTANGDIVAIDFGIMGRIDRRARMWLAEILYGLITGNYRRVAEIHFEAQYVPGHHNVEEFATALRAVGEPMRGKPVRELSVGGMLDGLFAITRDFDMQTQPHLLLLQKTMVMVEGVATALDPDINLWETSGPYVKEWLRAELGPEAKAADA-LIENVRILQRLPGLVKR----------IEEAFPEKGGAPPPPPLTEVRLIRVGSGWRYMLVALLAGLAGAGAMAAATTFL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 5T8V Chain:A ((4-1456)) GESLDLRQRANVALHELKAYLQAAFQAVDRAIAQKSSNEMAIFLSETEATLAAPTQTKLQSALKKTIELNCFMTVPLDDLIYLLRLCDSALRQTESLDFSVQTSWGAQDVEQWLELLPNLEAAIRAARTSMRIMCGGREEKQLYSENAIEQALSLCKRLIDGIIMPLAELRNTSDTEELFKALSSCKRRILPLMTDAQKLLSMMSELIAKVDTSETVTNALEFAASQLLFIETANAERDSVIETQKFDGFRLVAMDMICQIFLLNPSQRQGIIDEILTSLEKLPLGKRARTFKLADGSSIQPVSALIMRLVQTSAGIIQSEAQGASQHSTAIRDLDTISTPLLETARNNASYVIKFIVNRALNSPYRNLLDLFVEDFITCLDNPDWPAAELLLRLLMLMMVGLVENDKSSIMAKNMALELLGTMCAAISKLRGHVRKMASALEADELSLFLSDLAASALELKSRPEHMVAWTGPYRATLEYLQSRSNEDAQLSSAMTFIISEWGSKICTCYDGYQDDVLERDQELGRLAYRLREMILDRKWLSTEYTYKD----VSPLQAKLSYSIILLRSQFCEAFGAILNILLNSMAS-DQPTVRSKSLKSINQVMEADPTILDGDSVVVQLILRSSSDSSTQVRDSALGLISKCISLR----------PALEEKMTETVVNRFSDAGPGVRKRAMKLAKDIYLRNSNRVLRSAIANGLLHRVQDPEESVRDLARQVIEEIWFAPSLSEHVILMVQTVKRGNVANVLDKVLQALLSPSSKTSQASMEVCRKLVGSMFDLIDNNDASAPS----GRDVLQVLMIFAKAEASLFTFEQLRLLRPYIASIGTS------EDLTVSRAVVVIYR-RVLPQLSSAHAQFLTDVRKELLPVVAKVPRALLDDVMACLWIISTLLGTYEPLARLVISSLKGIQKTRASAQVQPLDQLKIRQFDRYSLIVGMAGKHCNLDSHHEMFKEHFPKFSGASVSKLMVDIVVPFAAPSWPLDVRKPALDCVGLVCQSSPRNYVAANVYTAFQQVFDDQIPILETMVLRSLKEFLFSEEKRSETNYDDVASATTHRFLKDITRIATSTQDDHAFLAVEVLASINRQGLVHPKETGVTFITLATSTHPRISELAFLEHKALHTKHETVIEREYAKAIQSIFAYQRDIVKDPRGATTNPFTPKLHLFMEVLKISKAKNRVKFLEKLVSQIDFDIAKLELPPHVQYSRFIIENLAFFEYVTVGEIHSLVAAMERLVASTGASVAQVIESEVRLRQLTAASMILLAIWEVRTYLRRLYSLARPPVKVQGVTGDKVWEEINNIMGALSGGRERMVRACKDLVELMSID

General information: TITO was launched using: RESULT: Template: 5T8V.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 : 1963 -11661 -5.94 -23.94 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -5.94 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.171

(partial model without unconserved sides chains): PDB file : Tito_5T8V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5t8v-query.scw PDB file : Tito_Scwrl_5T8V.pdb: