Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRLVKQEYVLDGLDCSNCARKIENGVKGIKGINGCAVNFAASTLTVSADGKEEQWVTNKVEKKVKSIDPHVTVRQKHIKKSADDGYRNRMVNMLIRMAAAVILGAAAYLVQSGTIEFFLFLGAYLIIGGDIIIRAVKNIIRGQVFDEHFLMALATIGAFLIQQYPEGVAVML-FYQIGELFQGAAVSRSRKSISALMDIRPDYAN-LKTKNGIEQVSSEDVQTGDIIVVNPGESIPLDGKVVQGSAMVDTSALTGESVPRKAAEGQDVMSGFINQNGVLHIEVTKGYQESAVSKILDLVQNASSRKARTENFITKFAKYYTPAVVIIAVLLAFVPPLVLSGAALSDWVYRALIFLVISCPCALVVSIPLGFFGGIGAASKAGVLVKGSNYLEALNQVKYAVFDKTGTLTKGSFEVTEIKPAEGFTKDRLLEAAAYAELHSQHPIAES-VRKAYGKMLSSDEIESYEEISGHGIFAKVNGTEILAGNKKLMEREQIEDVP-----DENAG---TIVHVAVDQRYAGAIIIADEIKEDAAQAVADLKSLGIKQTAMLTGDSKQTGEAVGKQLGIGEVYAELLPQDKVAQVEALEAKLLPSEKLIFVGDGINDTPVLARADIGVAMGGLGSDAAVEAADIVLMTDQPSKIAEAIRIAKRTRRIVWQNIGFALGVKAIFLILGAFGIATMWEAVFSDVGVTLLAVANAMRVMRLKNK 3RFU Chain:B ((187-692)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------YFEAAAVITTLVLLGQVLELKAREQTGSAIRALLKLVPESAHRIKEDGSEEEVSLDNVAVGDLLRVRPGEKIPVDGEVQEGRSFVDESMVTGEPIPVAKEASAKVIGATINQTGSFVMKALHVGSDTMLARIVQMVSDAQRSRAPIQRLADTVSGWFVPAVILVAVLSFIVWALLGPQPALSYGLIAAVSVLIIACPCALGLATPMSIMVGVGKGAQSGVLIKNAEALERMEKVNTLVVDKTGTLTEGHPKLTRIV-TDDFVEDNALALAAALEHQSEHPLANAIVHAAKEKGLSLGSVEAFEAPTGKGVVGQVDGHHVAIGNARLMQEHGGDNAPLFEKADELRGKGASVMFMAVDGKTVALLVVEDPIKSSTPETILELQQSGI-EIVMLTGDSKRTAEAVAGTLGIKKVVAEIMPEDKSRIVSELKDKGL---IVAMAGDGVNDAPALAKADIGIAM-GTGTDVAIESAGVTLLHGDLRGIAKARRLSESTMSNIRQNLFFAF----IYNVLG----------------------------------

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 B - contact count / total energy / energy per contact / energy per residue : 2586 75962 29.37 153.46 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : 29.37 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.420

(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: