Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTASQHRKSDSAERDEVNVKNAPKVASEAEINRRNVVFAEALRCACIAMRVGDDPGYIWTPQRLGAGSFGTVTLAYRHEGDAVWRKTAVKRISLRKEMRLSAVLEKVRCAGREVALCRRAGVSPHVVPMYEPWFDCREGVIALPMDAGDFSLEQYAVHCGFRFPPLVLLSMCAQCARAVAHLHRRGVVHRDVKPDNFVVNVFDTAGGAGAGGDGGRRDARAPLVRILDFGLACGVEEVGQELKRCVGTPHYMAPETFSHLCDCDVPAACDVWSLGVTLFRLATGVFPVFEMDKTWQQPPFTALHSGKLWLPSRNLFHEPLSAESLAVLSVAASMLVLDPRYRPTADAAVLQLQGFQEAFSHQIQSWPPGSGPQPCRVWKRTRK 3HZT Chain:A ((10-290)) --------------------------------------------------------------KKLGSGAYGEVLLCKDKLTGAERAIKIIKKSSVTTTSNSGALLD-------EVAVLKQLD-HPNIMKLYEFFEDKRNYYLVMEVYRGGELFDEIILRQ--KFSEVDAAVIMKQVLSGTTYLHKHNIVHRDLKPENLLL----------------ESKSRDALIKIVDFGLSAHF-EVG--------TAYYIAPEVLRKKYD----EKCDVWSCGVILYILLCG-YPPF--GGQTDQEILKRVEKGKFSFDPPDWTQVSDEAKQLVKL-----MLTYEPSKRISAEEAL----------------------------------

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 : 1113 -132090 -118.68 -548.09 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -118.68 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.395

(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: