Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRLVKQEYVLDGLDCSNCARKIENGVKGIKGINGCAVNFAASTLTVSADGKEEQWVTNKVEKKVKSIDPHVTVRQKHIKKSADDGYRNRMVNMLIRMAAAVILGAAAYLVQSGTIEFFLFLGAYLIIGGDIIIRAVKNIIRGQVFDEHFLMALATIGAFLIQQYPEGVAVMLFYQIGELFQGAAVSRSRKSISALMDIRPDYANLKTKNGIEQVSSED-VQTGDIIVVNPGESIPLDGKVVQGSAMVDTSALTGESVPRKAAEGQDVMSGFINQNGVLHIEVTKGYQESAVSKILDLVQNASSRKARTENFITKFAKYYTPAVVIIAVLLAFVPPLVLSGAALSDWVYRALIFLVISCPCALVVSIPLGFFGGIGAASKAGVLVKGSNYLEALNQVKYAVFDKTGTLTKGSFEVTEIKPAEGFTKDRLLEAAAYAELHSQHPIAESVRKAY-GKMLSSDEIESYEEISGHGIFAKVNGTEILAGNKKLMER-----EQIEDVPDENAG---TIVHVAVDQRYAGAIIIADEIKEDAAQAVADLKSLGIKQTAMLTGDSKQTGEAVGKQLGIGEVYAELLPQDKVAQVEALEAKLLPSEKLIFVGDGINDTPVLARADIGVAMGGLGSDAAVEAADIVLMTDQPSKIAEAIRIAKRTRRIVWQNIGFALGVKAIFLILGAFGI----ATMWEAVFSDVGVTLLAVANAMRVMRLKNK-- 3RFU Chain:A ((74-736)) ------------------------------------------VSPEYLDMRRRFWIALMLTIPVVILEMGGHGLKHFISGNGSSWIQLLLATPVVLWGGWPFFKRGWQSLKTGQLNMFTLIAMGIGVAWIYSMVAVL-------WPGVFPHAFRSQEGVVAVYFEAAAVITTLVLLGQVLELKAREQTGSAIRALLKLVPESAHRIKEDGSEEEVSLDNVAVGDLLRVRPGEKIPVDGEVQEGRSFVDESMVTGEPIPVAKEASAKVIGATINQTGSFVMKALHVGSDTMLARIVQMVSDAQRSRAPIQRLADTVSGWFVPAVILVAVLSFIVWALLGPQPALSYGLIAAVSVLIIACPCALGLATPMSIMVGVGKGAQSGVLIKNAEALERMEKVNTLVVDKTGTLTEGHPKLTRIVT-DDFVEDNALALAAALEHQSEHPLANAIVHAAKEKGLSLGSVEAFEAPTGKGVVGQVDGHHVAIGNARLMQEHGGDNAPLFEKADELRGKGASVMFMAVDGKTVALLVVEDPIKSSTPETILELQQSGI-EIVMLTGDSKRTAEAVAGTLGIKKVVAEIMPEDKSRIVSELKDKGL---IVAMAGDGVNDAPALAKADIGIAMGT-GTDVAIESAGVTLLHGDLRGIAKARRLSESTMSNIRQNLFFAFIYNVLGVPLAAGVLYPLTGLLLSPMIAAAAMALSSVSVIINALRLKRVTL

General information: TITO was launched using: RESULT: Template: 3RFU.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 : 3604 -138444 -38.41 -213.98 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -38.41 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.354

(partial model without unconserved sides chains): PDB file : Tito_3RFU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RFU-query.scw PDB file : Tito_Scwrl_3RFU.pdb: