Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLRNDLRNIAIIAHVDHGKTTLVDQLLHQAGTFRANEQVAERAMDSNDLERERGITILAKNTAINYKDTRINILDTPGHADFGGEVERIMKMVDGVVLVVDAYEGCMPQTRFVLKKALEQNLNPVVVVNKIDRDFARPEEVIDEVLDLFIELDANEEQLEFPVVYASAINGTASLDPKQQDENMEALYETIIKHVPAPVDNAEEPLQFQVALLDYNDYVGRIGIGRVFRGTMKVGQQVSLMKLDGTAKSFRVTKIFGFQGLKRVEIEEAKAGDLVAV----SGMEDINVGETVCPVDH--QDPLPVLRIDEPTLQMTFVVNNSPFAGREGKYVTARKIEERLQSQLQTDVSLRVEPTASPD---AWVVSGRGELHLSILIENMRRE------------GYELQVSKPEVII----------KEIDGVRCEPVERVQIDVPEEHTGSVMESMGARKGEMVDMINNGNGQVRLIFTVPSRGLI-GYSTEFLSLTRGFGILNHTFDSYQPMQAGQVGGRRQGVLVSMENGKATSYGIQGIEDRGVIFVEPGTEVYEGMIVGEHNRDNDLVVNVSKMKQQTNVRSATKDQTTTIKKARIMSLEESLEYLNEDEYCEVTPESIRLRKKILNKNEREKAAKKKKTAGLS 3CB4 Chain:A ((1-555)) ---MKNIRNFSIIAHIS----TLSDRIIQICG----------------------GQSVTLDYKASDGETYQLNFIDTPGHVDFSYEVSRSLAACEGALLVVDAGQGVEAQTLANCYTAMEMDLEVVPVLNKIDLPAADPERVAEEIEDI-VGIDATD------AVRCSAKTGV----------GVQDVLERLVRDIPPPEGDPEGPLQALIIDSWFDNYLGVVSLIRIKNGTLRKGDKVKVM---STGQTYNADRLGIFTP-KQVDRTELKCGEVGWLVCAIKDIHGAPVGDTLTLARNPAEKALPGFKKVKP------QVYAGLFPVSSDDYEAFRDALGKLS---LNDASLFYEPESSSALGFGFRCGFLGLLHMEIIQERLEREYDLDLITTAPTVVYEVETTSREVIYVDSPSKLPAVNNIYELR-EPIAECHMLLPQAYLGNVITLCVEKRGVQTNMVYHGN-QVALTYEIPMAEVVLDFFDRLKSTSRGYASLDYNFKRFQA------------------------------SDMVRVDVLINGERVDALALITH-----------------------RDNSQNRGRELVEKMKDLIPRQQFDIAIQAAIGTHIIARSTVKQLRKNVLAKCYG-----

General information: TITO was launched using: RESULT: Template: 3CB4.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 : 2535 -252813 -99.73 -512.80 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -99.73 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.390

(partial model without unconserved sides chains): PDB file : Tito_3CB4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CB4-query.scw PDB file : Tito_Scwrl_3CB4.pdb: