Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYPGINETQLELIFSRYG---KDCKIEPLQEEASTRRYFRITSVNGKEEVVCADET-----VNEDFIVISEFLNANG--IRVPRIHDTNQNLGLTFMSFEGLKDFSTYNL------------NDYKNKFPILIDLILKLQSLD-PPSLV-KTRKFDTEKLSFETNLTLDKFEAFRKQFQIKTDITNEAKAFIEETVGY-L-NKYPINVFTHRDFHCRNILIAPNTD-YALIDFQDARMGVPQYDLASILYDAYYPLPRDFRSLMLKSFRERNVDQTKKFNDTFYLQALQRSFKALGTYFRMVTDHKKDKFKTSIISCLNQLEEIIQLGMFADSLYIFVRSLREELSRHKEFKNL 5IWU Chain:A ((3-261)) ----KDIKQVIEIAKKHNLFLKEETIQFNESGLDF-QAVFAQDNNGIDWVLRLPRREDVMPRTKVEKQALDLVNKYAISFQAPNWIIY--TEELIAYKKLDGVPAGTIDHNIGNYIWEIDINNVPELFHKSLGRVLAELHSIPSNKAAALDLVVHTPEEA---RMSMKQRMDAVRAKFG--VGENL--WNRWQAWLNDDDMWPKKT-GLIHGDVHAGHTMIDKDANVTGLIDWTEAKVTDVSHDFIFNYRA----FGEEGLEALILAYKEIGGYYWPK----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5IWU.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 : 942 23394 24.83 100.84 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : 24.83 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.398

(partial model without unconserved sides chains): PDB file : Tito_5IWU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5iwu-query.scw PDB file : Tito_Scwrl_5IWU.pdb: