Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------MTHVRFDYSKALTFFNEHELTYLRDFVKTA-------------HHNIHEKTGAGSDFLGWVDLPEHYD---------KEEFARIKKSAEKIKSDS---------DVLLVVGIGGSYLGARAAIEALNHAFYNTLPKAKRGNPQVIFIGNNISSSYMRDVMDLLEDVDFSINVISKSGTTTEPAIAFRIFRKLLEEKYGKEEAKAR--IYATTDKERGALKTLSNEEGFESFVIPDDVGGRYSVLTAVGL-LPIAVSGVNIDDMMKGALDASKDFATSELEDNPAYQYAVVRNVLYN-KGKTIEMLINYEPALQYFAEWWKQLFGESEGKDEKGIYPSSANYSTDLHSLGQYVQEGRRDLFETVLNVEK-------------------PKHELTIEEADNDLDGLNYLAGKTVDFVNKKA--------FQGTMLAH--TDGNVPNLIVNIPELNAYTFGYLVYFFEKACAMSGYLLGVNPFDQPGVEAYKVNMFALLGKPGFEEKKAELEKRLED------------ 1DQR Chain:A ((1-555)) AALTRNPQFQKLQQWHREHGSELNLRHLFDTDKERFNHFSLTLNTNHGHILLDYSK--NLVTEEVMHMLLDLAKSRGVEAARESMFNGEKINSTEDRAVLHVALRNRSNTPIVVDGKDVMPEVNKVLDKMKAFCQRVRSGDWKGYTGKTITDVINIGIGGSDLGPLMVTEAL---------KPYSSGGPRVWFVSNIDGTHIAKTLACLNPESSLFIIASKTFTTQETITNAKTAKDWFLLSAKDPSTVAKHFVALSTNTAKVKEFGIDPQNMFEFW---DWVGGRYSLWSAIGLSIALHVGFDNFEQLLSGAHWMDQHFRTTPLEKNAPVLLAMLGIWYINCFGCETQAVLPYDQYLHRFAAYFQQGDMESNGKY-ITKSGARVDHQTGPIVWGEPGTNGQHAFYQLIHQGTKMIPCDFLIPVQTQHPIRKGLHHKILLANFLAQTEALMK--GKSTEEARKELQAAGKSPEDLMKLLPHKVFEGNRPTNSIVFTKLTPFILGALIAMYEHKIFVQGVVWDINSFDQWGVELGKQLAKKIEPELDGSSPVTSHDSSTNGLINFIKQQREAK

General information: TITO was launched using: RESULT: Template: 1DQR.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 : 2032 21513 10.59 49.68 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 10.59 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.422

(partial model without unconserved sides chains): PDB file : Tito_1DQR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DQR-query.scw PDB file : Tito_Scwrl_1DQR.pdb: