Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLRNDLRNIAIIAHVDHGKTTLVDQLLHQAGTFRANEQVAERAMDSNDLERERGITILAKNTAINYKDTRINILDTPGHADFGGEVERIMKMVDGVVLVVDAYEGCMPQTRFVLKKALEQNLNPVVVVNKIDRDFARPEEVIDEVLDLFI------------------------E----L--------------------------------------------D--ANEE----QLEFPVVYASAINGTASLDPKQQDENMEALYETIIKHVPAPVDN---------AEEPLQFQVALLDY---NDYVGRIGIGRVFRGTMKVGQQVSLMKLDGTAKSFRVTKIFGFQGLKRVEIEEAKAGDLVAVSGMEDINVGETVCPVDHQDPLPVLRIDEPTLQMTFVVNNSPFAGREGKYVTARKIEERLQSQLQTDVSLRVEPTASPDAWVVSGRGELHLSILIENMRRE-GYELQVSKPEVIIKEIDGVRCEPVERVQIDVPEEHTGSVMESMGARKGEMVDMINNGNGQVRLIFTVPSRGLIGYSTEFLSLTRGFGILNHTFDSYQPMQAGQVGGRRQGVLVSMENGKATSYGIQGIEDRGVIFVEPGTEVYEGMIVGEHNRDNDLVVNVSKMKQQTNVRSATKDQTTTIKKARIMSLEESLEYLNEDEYCEVTPESIRLRKKILNKNEREKAAKKKKTAGLS 2H5E Chain:A ((8-472)) -QEVAKRRTFAIISHPDAGKTTITEKVLLFGQ-------------------------ITTSVMQFPYHDCLVNLLDTPGHEDFSEDTYRTLTAVDCCLMVIDAAKGVEDRTRKLMEVTRLRDTPILTFMNKLDRDIRDPMELLDEVENELKIGCAPITWPIGCGKLFKGVYHLYKDETYLYQSGKGHTIQEVRIVKGLNNPDLDAAVGEDLAQQLRDELELVKGASNEFDKELFLAGEITPVFFGTALGN----------FGVDHMLDGLVEWAPAPMPRQTDTRTVEASEDKFTGFVFKIQANMDPKHRDRVAFMRVVSGKYEKGMKLRQV-RTA--KDVVISDALTFMA-----VEEAYPGDILGLHNHGTIQIGDTFTQGE-MMKFTGIPNFAPELFRRIR----LKDP-----K---QLLKGLVQLSEEGA-VQVFRPISNNDLIVGAVGVLQFDVVVARLKSEYNVEAVYESVNVATAR---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2H5E.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 : 1835 -177082 -96.50 -528.60 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -96.50 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.522

(partial model without unconserved sides chains): PDB file : Tito_2H5E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2H5E-query.scw PDB file : Tito_Scwrl_2H5E.pdb: