Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MCNK-ASSDLTDYVIRQLGRTKNKRYEAYVVSR------------IIHLLNDFTL-KFVTQQFVRLSNKKI-ALTDLYFP--QLGIHIEVDEGHHFLRNSKME--YSLNQIDEPLYSISQTESDAMREEDIISITGHKIF-----RVNVFKNQEGQPQNLENIHQQIDKIIEEIKTAKNKLIEASTFKEWN-----IETEYNPQ----TYID-----LGRISLADNVVLKTTKDVCNCFGYSYKNYQRGGALHPYKKDTLIWFPRLY-----ENKDWINTI--SPDGL--------------------------TITEKSTDETITLKKL-------EEW------KNGPQKRIVFARVKDNLSSRAMYRFMGLYEFQKADLK----------------DGAVWKR--VKCEVQTYSPKETKC------------------------ 5MSX Chain:A ((21-459)) HNNPFGNALIPDMIADASIQEINGVFYCYATTDGYGQGLKTSGPPVVWKSKDFVHWSFDGTYFPSAAKEKYWAPSKAIFANGKYYIYPTINGYMYPAVADKPEGPFKLARGKDEFYK-PFTPSTLLQSKNPGGI-DAEIFVDDDGQAYVFWGR-RHVAKLNEDMITVDSVVQVISTPRKEYSEGPIFFKRKGIYYYLYTIGGDEKYQYAYVMSRVSPMGPFEAPEQDIISTTNYERGIFGP-----GHGCVFHPEGTDNYYFAYLEFGRRSTNRQTYVNQLKFNEDGTIRPVELTMDGVGALKKVKSDKKMKIDTVYASSIEVPLKIEPMKDPTCLRTEYFVPSFAVDGANGSRWMAAAEDSINPWIVADLGTVKKVRRSEIYFVRPTAGHAYVIEASMDGKVWQEFAVHQDRKMCSPHTDVLNKRFRYLRIKILKGVPGIWEWNIY

General information: TITO was launched using: RESULT: Template: 5MSX.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 : 1777 75583 42.53 241.48 target 2D structure prediction score : 0.37 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 42.53 2D Compatibility (Sec. Struct. Predict.) : 0.37 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.180

(partial model without unconserved sides chains): PDB file : Tito_5MSX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MSX-query.scw PDB file : Tito_Scwrl_5MSX.pdb: