Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHKKDIIRLLETIAVYMELKGDNPFKVSAFRKAAAALEQDDRSLSEMDD-----MMSLSGIGKGTYSVIKEYIDEGKSSTLESLQKEVPEGLVPLLKLPGLGGKKIAKLYKELGVHDAESLKEACEQQKVQGLAGFGKKSEEKILQALGEAGKQPERFPIGYALRIAREIEEHLSQFTHIIKFSRAGSLRRARETVKDLDYIIATDHPAEVREQLLELPNIKSVIASGDTKVSVILSFEYETSVDFRLVTEEQFPTTLHHFTGSKDHNIKMRQIAKERGERISEYGV---ETVETGEIKTFPSEREFYAHFGLPLIPPEIRESGQEVETYSDS--IELIELGQIKGDLHMHSTWSDGAFSIREMAEACIKKGYQYMAITDHSQYLKVANGLTAERLKQQAKEIDALNAEFENFRILKGVEMDILPDGTLDYDDDVLAEMDIVIASIHSSFNQPEHVIMKRLETALTNKHVDIIAHPTGRLIGRRAGYEIDIDQLIELARKTNTALELNANPARLDLRTEHLMKANEQGVTLVINTDAHNIEMLDDMKTGVTAARKGWTETKNVLNARSLKDVEAFLKRND 3AUO Chain:B ((1-570)) MRNQELARIFEEIGLMSEFLGDNPFRVRAYHQAARTLYDLDTPIEEIAEKGKEALMELPGVGPDLAEKILEFLRTGKVRKHEELSRKVPRGVLEVMEVPGVGPKTARLLYEGLGIDSLEKLKAALDRGDLTRLKGFGPKRAERIREGLALAQAAGKRRPLGAVLSLARSLLEAIRALPGVERAELCGSARRYKDTVGDLDFLVASREGERAVEGFVRLPQVKEVYAKGKERATVFLKNGLQ--VDLRVVPPESYGAGLQYLTGSKAHSIRLRALAQEKGLKLSEYGVFRGEKRIAGE-----TEEEVYAALGLPWIPPPLREDQGEVEAALEGRLPKLLELPQVKGDLQVHSTYSDGQNTLEELWEAAKTMGYRYLAVTDHSPAVRVAGGPSPEEALKRVGEIRRFNETHGPPYLLAGAEVDIHPDGTLDYPDWVLRELDLVLVSVHSRFNLPKADQTKRLLKALENPFVHVLAHPTARLLGRRAPIEADWEAVFQKAKEKGVAVEIDGYYDRMDLPDDLARMAYGMGLWISLSTDAHQTDHLRFMELAVGTAQRAWIGPERVLNTLDYEDLLSWLK---

General information: TITO was launched using: RESULT: Template: 3AUO.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 : 3092 163504 52.88 291.97 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : 52.88 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.481

(partial model without unconserved sides chains): PDB file : Tito_3AUO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AUO-query.scw PDB file : Tito_Scwrl_3AUO.pdb: