Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------------------------------------------------------------------------MNKVNQILEEKVMPIAGRIAGQRH-LQALRDGIIL------TMPL---IIIGSFFL---IIGNLPIPGYAEFMAKTFGSSWSEKLAYPVDA--------TFEIMGLVAAF--------GIAYRLAEKYGVDALSAGAISLAAFLLATPY-QVPFMPDGATKEIMVGGGIPLSLMGSKGLFVAMIIAMVS-------TEIYRLIIQRNLVFKMPDGVPPAVSKSFVALIPGFAVIFLIWAARLIVEATPFESLHNIVSVLLGTPLSI-------------LGGSLGGSLVAEAVKMLLWACG------LHGANIVGGVMAPIWYGAMDANRIAFQAGEELPKIFTQQFFDIWVNIGGSGATLALVVTMFLRARSKQMKQLGKLAVGPAIFNINEPIIFGMPIVMNPMLLL--------PFIITPLVTVTLTYIGMSTGLVAKPAGIAVPWTMPPIFSGYLATGGKVSGAVMQAINIAVSFVVYYPFFRMWDKQ-KLKEENDLELVQTPAATDDKEAAL-------------- 3RFU Chain:A ((74-736)) VSPEYLDMRRRFWIALMLTIPVVILEMGGHGLKHFISGNGSSWIQLLLATPVVLWGGWPFFKRGWQSLKTGQLNMFTLIAMGIGVAWIYSMVAVLWPGVFPHAFRSQEGVVAVYFEAAAVITTLVLLGQVLELKAREQTGSAIRALLKLVPESAHRIKEDGSEEEVSLDNVAVGDLLRVRPGEKIPVDGEVQEGRSFVDESMVTGEPIPVAKEASAKVIGATINQTGSFVMKALHVGSDTMLARIVQMVSDAQRSRAPIQRLADTVSGWFVPAVILVAVLSFIVWALLGPQPALSYGLIAAVSVLIIACPCALGLATPMSIMVGVGKGAQSGVLIKNAEALERMEKVNTLVVDKTGTLTEGHPKLTRIVTDDFVEDNALALAAALEHQSEHPLANAIVHAAKEKGLSLGSVEAFEAPTGKGVVGQVDGHHVAIGNARLMQEHGGDNAPLFEKADELRGKGASVMFMAVDGKTVALLVVEDPIK---SSTPETILELQQSGIEIVMLTGDSKRTAEAVAGTLGIKKVVAEIMPEDKSRIVSELKDKGLIVAMAGDGVNDAPALAKADIGIAM---GTGTDVAIESAGVTLLHGDL----RGIAKARRLSESTMSNIRQNLFFAFIYNVLGVPLAAGVLYPLTGLLLSPMIAAAAMALSSVSVIINALRLKRVTL

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 : 1847 -116773 -63.22 -264.19 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -63.22 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.119

(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: