Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRLKKIRLIFLLGIAFLALAGCKGNGLANEDILERSKSTNEIIWGVKYDTRLFGMMDIESRTVQGFDVDIAKAITKKILGDNGKTEFVEVTSKTRIPLLKNGNIDAIIATMTITDERKKQVDFSDVYFDAGQALLVKKGSQIKSVDDLNASTTVLAVKGSTSAANIRQHAPDAKILELENYAEA---FTALQSGQ-GDAMTTDNAILLG------IADENPEYELVGGTFTNEPYGIAINKGQENFL-KAVNQALEEMHADGTYDKIYQKWFPNETEGKVE 4KPT Chain:B ((52-247)) -----------------------------------------------------------------GIDVDIMQEVAKI---NDWKLEMSYPGFDAALQNLKAGQVDGIIAGMTITDERKETFDFSNPYYTSALTIATTKDSKLSDYSDLKGK--AVGAKNGTAAQTWLQENQKKYGYTIKTYSDGVHMFAALSSGNIAGAMDEVPVISYAMKQGQDLAMNFPSISLPGG------YGFAVMKGKNSTLVDGFNKALAEMKSNGDYDKILKKY----------

General information: TITO was launched using: RESULT: Template: 4KPT.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 : 824 -23943 -29.06 -129.42 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -29.06 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.408

(partial model without unconserved sides chains): PDB file : Tito_4KPT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KPT-query.scw PDB file : Tito_Scwrl_4KPT.pdb: