Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MNDEASKQLTDTRFKRLVGVQRT-TFEEMLAVLKTAYQK-SRTSW-------------------------------------------------------------------------------------------------------------------------------------------------- 4N9N Chain:A ((604-878)) NLNLIDMKLFHHYCTKVWPTITAAKVSGPEIWRDYIPELAFDYPFLMHALLAFSATHLSRTETGLEQYVSSHRLDALRLLREAVLEISENNTDALVASALILIMDSLANASVDNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYV-------DSMSPSAWIFHVKGAATILTAVWPLSERSKFHNIISVDLSDLGDVINPDVGTITELVCFDESIADLYPVGLDSPYLITLAYLDKLHREKNQGDFILRVFTFPALLDKTFLALLMTGDLGAMRIMRSYYKLLRGFATEVKDKVWFLEGVTQVLPQ

General information: TITO was launched using: RESULT: Template: 4N9N.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 : 57 3748 65.75 104.10 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.49 3D Compatibility (PKB) : 65.75 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.49 QMean score : 0.303

(partial model without unconserved sides chains): PDB file : Tito_4N9N.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4N9N-query.scw PDB file : Tito_Scwrl_4N9N.pdb: