Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSGAKEGGGGSPAYHLPHPHPHPPQHAQYVGPYRLEKTLGKGQTGLVKLGVHCITGQKVAIKIVNREKLSES----VLMKVEREIAILKLIEHPHVLKLHDVYENKKYLYLVLEHVSGGELFDYLVKKGRLTPKEARKFFRQIVSALDFCHSYSICHRDLKPENLLLDEKNN---IRIADFGM-ASLQVGDSLLETSCGSPHYACPEVIKGEKYDGRRADMWSCGVILFALLVGALPFDDDNLRQLLEKVKRGVFHMPHFIPPD-------CQSLLRGMIEVEPEKRLSLEQIQKHPW---YLGGKHEPDPCLEPAPGRRVAMRSLPSNGELDPDVLESMAS-LGCFRDRERLHRELRSEEENQEKMIYYLLLDRKERYPSCEDQDLPPRNDVDPPRKRVDSPMLSRHGKRRPERKSMEVLSITDAGGGGSPVPTRRALEMAQHSQRSRSVSGASTGLSSSPLSSPRSPVFSFSPEPGAGDEARGGGSPTSKTQTLPSRGPRGGGAGEQPPPPSARSTPLPGPPGSPRSSGGTPLHSPLHTPRASPTGTPGTTPPPSPGGGVGGAAWRSRLNSIRNSFLGSPRFHRRKMQVPTAEEMSSLTPESSPELAKRSWFGNFISLDKEEQIFLVLKDKPLSSIKADIVHAFLSIPSLSHSVLSQTSFRAEYKASGGPSVFQKPVRFQVDISSSEGPEPSPRRDGSGGGGIYSVTFTLISGPSRRFKRVVETIQAQLLSTHDQPSVQALADEKNGAQTRPAGAPPRSLQPPPGRPDPELSSSPRRGPPKDKKLLATNGTPLP 3HZT Chain:A ((6-363)) ---------------------------------YQRVKKLGSGAYGEVLLCKDKLTGAERAIKIIKKSSVTTTSNSGALLD---EVAVLKQLDHPNIMKLYEFFEDKRNYYLVMEVYRGGELFDEIILRQKFSEVDAAVIMKQVLSGTTYLHKHNIVHRDLKPENLLLESKSRDALIKIVDFGLSAHFEV---------GTAYYIAPEVLR-KKYD-EKCDVWSCGVILYILLCGYPPFGGQTDQEILKRVEKGKF---SFDPPDWTQVSDEAKQLVKLMLTYEPSKRISAEEALNHPWIVKFCSQ-----VGKHALTGALGNMKKFQSSQKLAQAAMLFMGSKLTTLEETKELTQIFRQLDNNGDGQ-----LDRKE-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3HZT.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 : 1404 18153 12.93 60.71 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 12.93 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.168

(partial model without unconserved sides chains): PDB file : Tito_3HZT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3hzt-query.scw PDB file : Tito_Scwrl_3HZT.pdb: