Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLRNDLRNIAIIAHVDHGKTTLVDQLLHQAGTFRANEQVAERAMDSNDLERERGITILAKNTAINYKDT-----RINILDTPGHADFGGEVERIMKMVDGVVLVVDAYEGCMPQTRFVLKKALEQNLNPVVVVNKIDRDFARPEEVIDEVLDLFIELDANEEQLEFPVVYASAINGTASLDPKQQDENMEALYETIIKHVPAPVDNAEEPLQFQVALLDYNDYVGRIGIGRVFRGTMKVGQQVSLMKLDGTAKSFRVTKIFGFQGLKRVEIEEAKAGDLV-AVSGMEDINVGETVCPVDH--QDPLPVLRIDEPTLQMTFVVNNSPFAGREGKYVTARKIEERLQSQLQTDVSLRVEPTASPD---AWVVSGRGELHLSILIENMRREG------------YELQVSKPEVI----------IKEIDGVRCEPVERVQIDVPEEHTGSVMESMGARKGEMVDMINNGNGQVRLIFTVP-SRGLIGYSTEFLSLTRGFGILNHTFDSYQPMQAGQVGGRRQGVLVSMENGKATSYGIQGIEDRGVIFVEPGTEVYEGMIVGEHNRDNDLVVNVSKMKQQTNVRSATKDQTTTIKKARIMSLEESLEYLNEDEYCEVTPESIRLRKKILNKNEREKAAKKKKTAGLS 3CB4 Chain:D ((3-476)) -----NIRNFSIIAHI----STLSDRIIQICGG---------------------------QSVTLDYKASDGETYQLNFIDTPGHVDFSYEVSRSLAACEGALLVVDAGQGVEAQTLANCYTAMEMDLEVVPVLNKIDLPAADPERVAEEIEDI-VGIDATD------AVRCSAKTGVGVQD----------VLERLVRDIPPPEGDPEGPLQALIIDSWFDNYLGVVSLIRIKNGTLRKGDKVKVMSTGQTYNADRL-GIFTPKQVDRTELKCGEVGWLVCAIKDIHGAPVGDTLTLARNPAEKALPGFKKVKPQ------VYAGLFPVSSDDYEAFRDALGKLS---LNDASLFYEPESSSALGFGFRCGFLGLLHMEIIQERLEREYDLDLITTAPTVVYEVETTSREVIYVDSPSKLPAVNNIYELR-EPIAECHMLLPQAYLGNVITLCVEKRGVQTNMVYHGN-QVALTYEIPMAEVVLDFFDRLKSTSRGYASLDYNFKRFQ-----------------------------------------------------------------------------------------------------------------------------------------

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 D - contact count / total energy / energy per contact / energy per residue : 2157 -210137 -97.42 -512.53 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain D : 0.70 3D Compatibility (PKB) : -97.42 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.458

(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: