Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------MPPQPLAQ-----CQRSKQPSP-------------TATETMIT-------------------SEYKIVEKMATGSFGVVFKVRRVTDHQVFVMKRIPLLGLTAPQRRDAAQEIILMRDLHHPCVVSQRDAFLYNEHDLCLVMDYYDGGDMDTHMAAQRDLDMYFELDQVMLWFVQLVLGAQYLHAH-NVVHRDIKIHNVFVRSKDMSVVLGDFGI------SERL-------GVDLANHTWVAAATMSGPHGSDGSSLTSVPAMVTATAAGSPSPARMNRGDDAMRSLSISGGLRPSTPGGAGAGAPVLSPLLYQQTAWSSGQWGAGSQLCSPNSSPYQPLSHMRQTGASSNAASSCSLQRLLNGGVEAAMKGTPLYMAPEVLQGGAASPKSDVWSLGCVLYELLALRHPFESRDLAPLVMRVLRGQREPLPAHYPRPIADLINCMLCLDASQRPSCEEVLTVPCVRAYVDLWRSLRTPLDVPASPGESALMRQLQAWQANVAAWNARHPDDPRSKSVHYTELKRQLLSPACAPAEEREKVERRAVEAARTALLTAQPSGLTCSISSAAISGAIQGDGGVHDGTFFFGATGECLTGAAGRRSSELSSLPSAREGMNMGPSDSMRPYMVYDVAPEIAATAAAEGAGPSCAESAANKALNGRPPRPSRRPSGSPPPHPVQGEDLTVTGHNIGKGGARVGSLPQAANAARSEDSPMMSAAARKRRHPQARQLEPAAPQQRGESSRHDDTTEPERKPLTGVASPTIDGAAEAQSTTPPVPSSNFPLKPGLPTSPPLMHKRGATRCGSIDEDALFFQAYENVADMRFASLDEIAQSVVDLRQRVQQRMRHQRLLTDIEVLHERHGSALLRSMPHVLNVFEAAAAAEDGAEGPPGRSGGAQSTMSPEEAYARMVQQIDEQRSGHEQHQLDPDNAEKVVSILHLGQLPVGRPMPPRIRQLRESAALAQVAASEEARRRSRLLPRRSKDRSSSTTKRGVSFSAAVSMQFADPAAPLMASSTGGGRSSSLATAMELRRWRPYLERRNRLSAALTRVFDATTLRAVYSYYRTCALLQRDAAVVRRLVPDRQQWSALPSIEELAVLDRRLEVMFEDRPSWDGRQGA 5KCV Chain:A ((20-452)) IVKEGWLHKRGEYITWRPRYFLLKNDGTFIGYKERPAPLNNFSVAQCQLMKTERPRPNTFIIRCLQWTTVIERTFHVETPEEREEWTTAIQRVTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILK----------------KVLQNSRHPFLTALKYSFQ-THDRLCFVMEYANGGELFFHLSRER----VFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLML-DKDGHIKITDFGLCPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHEKLFELILMEEIRFPRTLG-PEAKSLLSGL-LKKDPKQRLGGGSEDAKEIMQHRFFAGIVWQHVYEKKLSPPFKPQVTSETDTRYF---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5KCV.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 : 1241 27172 21.89 101.01 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : 21.89 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.313

(partial model without unconserved sides chains): PDB file : Tito_5KCV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KCV-query.scw PDB file : Tito_Scwrl_5KCV.pdb: