Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQSSIIVVGGGLAGLMATIKAAESGMAVKLFSIVPVKRSHSVCAQGGINGAVNTKGEGDSPWEHFDDTVYGGDFLANQPPVKAMCEAAPSIIHLLDRMGVMFNRTPEGLL-------DFRRFGGTQHHRTAYAGATTGQQLLYALDEQVRRYEVAGLVTKYEGWEFLGAVLDDDRTCRGIVAQNLTNMQIESFRSDAVIMATGGPGIIFGKSTNSMINTGSAASIVYQQGAYYANGEFIQIHPTAIPGDDKLRLMSESARGEGGRVWTYKDGKPWYFLEEKYPAYGNLVPRDIATREIFDVCVNQKLGINGE--NMVYLDLSHKDPKELDIKLGGIIEIYEKFMGDDPRKLPMKIFPAVHYSMGGLWV----------DYDQMTNIPGLFAAGE--CDYSMHGGNRLGANSLLSAIYGGMVAGPNAVKYVNGLESSAEDMSSSLFDAHVKKEEEKWADIMSMDGTENAYVLHKELGEWMTANVTVVRHNDKLLKTDDKIQELMERFKKININDTTKWSNQGAMFTRQFSNMLQLARVITLGAYNRNESRGAHYKPDYPERNDDEWLKTTMAKHVSPYEAPEFEYQDVDVSLITPRKRDYSKKKVAK 1NEK Chain:A ((24-558)) -------------------LQISQSGQTCALLSKVFPTRSHTVSAQGGITVALGNTHEDNWEW-HMYDTVKGSDYIGDQDAIEYMCKTGPEAILELEHMGLPFSRLDDGRIYQRPFGGQSKNFGGEQAARTAAAADRTGHALLHTLYQQ----NLKNHTTIFSEWYALDLVKNQDGAVVGCTALCIETGEVVYFKARATVLATGGAGRIYQSTTNAHINTGDGVGMAIRAGVPVQDMEMWQFHPTGIAGAGVL--VTEGCRGEGGYLLN-KHGE--RFMERYAPNAKDLAGRDVVARSIM-IEIREGRGCDGPWGPHAKLKLDHLGKEVLESRLPGILELSRTFAHVDPVKEPIPVIPTCHYMMGGIPTKVTGQALTVNEKGEDVVVPGLFAVGEIAC-VSVHGANRLGGNSLLDLVVFGRAAGLHLQESI-AEQGALRDASESDVEASL----DRLNRWNNNRNGEDPVAIRKALQECMQHNFSVFREGDAMAKGLEQLKVIRERLKNARLDDTSSEFNTQRVECLELDNLMETAYATAVSANFRTESRGAHSRFDFPDRDDENWLCHSL------------------------------------

General information: TITO was launched using: RESULT: Template: 1NEK.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 : 3087 72862 23.60 141.75 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 23.60 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.378

(partial model without unconserved sides chains): PDB file : Tito_1NEK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NEK-query.scw PDB file : Tito_Scwrl_1NEK.pdb: