Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQSSIIVVGGGLAGLMATIKAAESGMAVKLFSIVPVKRSHSVCAQGGINGAV-NTK-GEGDSPWEHFDDTVYGGDFLANQPPVKAMCEAAPSIIHLLDRMGVMFNRTPEG---------------------LLDFRRFGGTQHHRTAYAGATTGQQLLYALDEQVRRYEVAGLVTKYEGWEFLGAVLDDDRTCRGIVAQNLTNMQIESFRSDAVIMATGGPGIIFGKSTNSMINTGSAASIVYQQG-AYYANGEFIQIHPTAIPGDDKLRLMSESARGEGGRVWTYKDGKPWYFLEEKYPAYGNLVPRDIATREIFDVCVNQKLGINGE--NMVYLDLSHKDPKELDIKLGGIIEIYEKFMGDDPRKLPMKIFPAVHYSMGGLWVDYDQMTNIPGLFAAGECD-YSMHGGNRLGANSLLSAIYGGMVAGPNAVKYVNGLESSAEDMSSSLFDAHVKKEEEKWADIMSMDGTENAYVLHKELGEWMTANVTVVRHNDKLLKTDDKIQELMERFKKININDTTKWSNQGAMFTRQFSNMLQLARVITLGAYNRNESRGAHYKPDYPERNDDEWLKTTMAKHVSPYEA-PEFEYQDVDVS--LITPRKRDYSKKKVAK 1QLB Chain:D ((9-600)) ------LVIGGGLAGLRAAVATQQKGLSTIVLSLIPVKRSHSAAAQGGMQASLGNSKMSDGDNEDLHFMDTVKGSDWGCDQKVARMFVNTAPKAIRELAAWGVPWTRIHKGDRMAIINAQKTTITEEDFRHGLIHSRDFGGTKKWRTCYTADATGHTMLFAVANECLKLGVS-IQDRKEAI----ALIHQDGKCYGAVVRDLVTGDIIAYVAKGTLIATGGYGRIYKNTTNAVVCEGTGTAIALETGIAQLGNMEAVQFHPT--PLFPSGILLTEGCRGDGG---ILRDVDGHRFMPDYEPEKKELASRDVVSRRMIE-HIRKGKGVQSPYGQHLWLDISILGRKHIETNLRDVQEICEYFAGIDPAEKWAPVLPMQHYSMGGIRTDYRGEAKLKGLFSAGEAACWDMHGFNRLGGNSVSEAVVAGMIVGEY---FAEHCANTQVDLETKTLEKFVKGQEAYMKSLVESKGTEDVFKIKNRMKDVMDDNVGIFRDGPHLEKSVKELEELYKKSKNVGIKNKRLHANPELEEAYRVPMMLKVALCVAKGALDRTESRGAHNREDYPKRDDINWLNRTLASWPNPEQTLPTLEYEALDVNEMEIAPRYRGYGAK----

General information: TITO was launched using: RESULT: Template: 1QLB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 3543 68021 19.20 121.03 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain D : 0.77 3D Compatibility (PKB) : 19.20 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.455

(partial model without unconserved sides chains): PDB file : Tito_1QLB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QLB-query.scw PDB file : Tito_Scwrl_1QLB.pdb: