Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRLKKIRLIFLLGIAFLALAGCKGNGLANEDILERSKSTNEIIWGVKYDTRLFGMMDIESRTVQGFDVDIAKAITKKILGDNGKTEFVEVTSKTRIPLLKNGNIDAIIATMTITDERKKQVDFSDVYFDAGQALLVKKGSQIKSVDDLNASTTVLAVKGSTSAANIRQHAPDAKILELENYAEAFTALQSGQGDAMTTDNAILLGIADENPEYELV-GGTFTNEPYGIAINKGQENFLKAVNQALEEMHADGTYDKIYQKWFPNETEGKVE 1XT8 Chain:B ((31-265)) ---------------------------SKTLNSLDKIKQNGVVRIGVFGDKPPFGYVDEK-GNNQGYDIALAKRIAKELFGDENKVQFVLVEAANRVEFLKSNKVDIILANFTQTPQRAEQVDFCSPYMKVALGVAVPKDSNITSVEDL-KDKTLLLNKGTTADAYFTQNYPNIKTLKYDQNTETFAALMDKRGDALSHDNTLLFAWVKDHPDFKMGIKELGNKDVIAPAVKKGDKELKEFIDNLIIKLGQEQFFHKAYDETLK--------

General information: TITO was launched using: RESULT: Template: 1XT8.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 : 1275 -81857 -64.20 -349.82 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -64.20 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.534

(partial model without unconserved sides chains): PDB file : Tito_1XT8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XT8-query.scw PDB file : Tito_Scwrl_1XT8.pdb: