Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQIFYDKDCDLSIIQSKKVAIIGYGSQGHAHALNLKDSGVDVTVGLRAGSASWKKAENAGLKVAEVPAAVKQADLVMILTPDEFQSQL-YRDVIEPNIKEGATLAFAHGFSVLYNQVVPRKDLDVIMVAPKAPGHTVRSEFQRGSGVPDLIAIHQDASGNARNVALSYASGVGGGRTGIIETSFREETETDLFGEQAVLCGGAVELVKMGFETLVEAGYAPEMAYFECLHELKLIVDLMFEGGIADMNYSVSNNAEYGEYVTGPEVINEQSREAMRNALKRIQSGEYAKMFIQEGALNYPSMTARRRQNAAHGIEQTGAKLRAMMP-WIQANKIVDKEKN 4XDZ Chain:B ((2-330)) AKIYKDEDISLEPIKNKTIAILGYGSQGRAWALNLRDSGLNVVVGLERQGDSWRRAIDDGFKPMYTKDAVAIADIIVFLVPDMVQKSLWLN-SVKDFMKKGADLVFAHGFNIHFKIIEPPKDSDVYMIAPKSPGPIVRRSYEMGGGVPALVAVYQNVSGEALQKALAIAKGIGCARAGVIESTFKEETETDLFGEQVILVGGIMELIKASFETLVEEGYQPEVAYFETVNELKLIVDLIYEKGLTGMLRAVSDTAKYGGITVGKFIIDKSVRDKMKIVLERIRSGEFAREWIKEYERGMPTVFKELSELEGSTIETVGRKLREMMFRGMK----------

General information: TITO was launched using: RESULT: Template: 4XDZ.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 : 1465 -98466 -67.21 -301.12 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -67.21 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.467

(partial model without unconserved sides chains): PDB file : Tito_4XDZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XDZ-query.scw PDB file : Tito_Scwrl_4XDZ.pdb: