Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRVVITGMGINSCIGNSLEEVTHSLKNGISGTRFNPTYAELNFKSHVSAAAEQDFDNIDRKLKRFMGVCAMYAYNSAVAAVEHAGLKAEDLADNPRYGIAGGSGGGSTASVVEMTELLETKGARKVGPFFVPRNMTNTITANVGVAFKLQGIAHSIASACATSADAIGYAYNLIALGKQDLMLAGGGEEDHWSQSLLFDAMGALCSKYNDTPETASRPYSKDRDGFVIAGGGGFVVLESLEHAQARGANILAEVVAYAANSDGADMVAPSGEG--ATRCILMALEEAKQHGVDKIDYVNTHGTSTPAGDVTELKAMERAFGEGKVPPLSSTKSMTGHSLGAAGVHEAIYSVLMLQNDFIAPNINVTELDEGTEGFDIVL-EKRDTKLNTVMSNSFGFGGVNACLIFKKWDA 2WGE Chain:A ((104-416)) ---------------------------------------------------------------------------------------------DPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPAD-IDHVNAHGTATPIGDAAEANAIRVAGCDQAA--VYAPKSALGHSIGAVGALESVLTVLTLRDGVIPPTLNYETPDPEID-LDVVAGEPRYGDYRYAVNNSFGFGGHNVALAFGRY--

General information: TITO was launched using: RESULT: Template: 2WGE.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 : 1902 -49306 -25.92 -159.05 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -25.92 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.331

(partial model without unconserved sides chains): PDB file : Tito_2WGE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WGE-query.scw PDB file : Tito_Scwrl_2WGE.pdb: