Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVITRDFFLFLSKSGFLNKMARNWGSRIAAGKIIGGNDFNSSIPTIRQLNSQGLSVT-VDHL--GEF-VNSAEVARERTEECIQTIATIADQELNSHVSLKMTSLGLDI-------DMDLVYENMTKILQTAEKHKIMVTIDMEDEVRCQKTLDIFKDFRKKYEHVSTVLQAYLYRTEKDIDDLDSLNPFLRLVKGAYKESEKVAFPEKSDVDENYKKIIRKQLLNGHYTAIATHDDKMIDFTKQLAKEHGIANDKFEFQMLYGMRSQTQLSLVKEGYNMRVFLPYGEDWYGYFMRRLAERPSNIAFAFKGMTKK 3KWS Chain:A ((70-170)) ---------------------------------------------KQALNGRNIKVSAICAGFKGFILSTDPAIRKECMDTMKEIIAAAGELGST-GVIIVPAFNGQVPALPHTMETRDFLCEQFNEMGTFAAQHGTSVIFEPLNRK------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3KWS.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 : 266 -14656 -55.10 -162.84 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -55.10 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.564

(partial model without unconserved sides chains): PDB file : Tito_3KWS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KWS-query.scw PDB file : Tito_Scwrl_3KWS.pdb: