Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------MSD---RIREKLQILADAAKYDVS----------CSSSG----SDRKNKNKGLGDASHSGICHSYTED---GRCVSLLKILFSNVCIFDCAYCVSRRSNDVQRAAFTVQEVV-----DLTINFYRRNYIEGLFLSSGI--FKSADHTMERMLQVVKKL--RLEENFNGYIHLKTIPGASPELIHEAGLY---ADRMSINLEMPTEIGLKTFAPEKSHQ-EVQKDLGLVRDRLIQLK-------DERQIIKHVPKYVPAGQTTQMVVGAHQESDQ-----DVLFMADKHYKEFKL---------KRVYFSGYIP-INNENNYLPAVGSAPPLL------------------------------------------------RENRLYQSDWLMRFYGFEVNEIVNEKHPNLDLDVD----------------------------------------PKLSWALRHPEQFPVDLNRADYQMILRVPGIGVKS--AKKIVQARRFGKIHIDLLKKLGVAYQRAKFFIRCEDS-------PKFQKELSSSFIRQ--------QILTQGSSKYVQQLSPQLSLGF-------------- 4CGY Chain:A ((22-640)) FSRAAMEMALRGVRKVLCVAEKNDAAKGIADLLSNGRMRRREGLSKFNKIYEFDYHLYGQNVTMVMTSVSGHLLAHDFQMQFRKWQSCNPLVLFEAEIEKYCPENFVDIKKTLERETRQCQALVIWTDCDREGENIGFEIIHVCKAVKPNLQVLRARFSEITPHAVRTACENLTEPDQRVSDAVDVRQELDLRIGAAFTRF-QTLRLQRIFPEVLAEQLISYGSCQFPTLGFVVERFKAIQAFVPEIFHRIKVTHDH---KDGIVEFNWKRHRLFNHTACLVLYQLCVEDPMATVVEVRSKPKSKWRPQALDTVELEKLASRKLRINAKETMRIAEKLYTQGYISYPRTETNIFPRDLNLTVLVEQQTPDPRWGAFAQSILERGGPTPRNGNKSDQAHPPIHPTKYTNNLQGDEQRLYE--FIVRHFLACCSQDAQGQETTVEIDIAQERFVAHGLMILARNYLDVYPYDHWSDKILPVYEQGSHFQPSTVEMVDGETSPPKLLTEADLIALMEKHGIGTDATHAEHIETIKARMYVGLTPDKRFLPG-HLGMGLVEGYDSMGYEMSKPDLRAELEADLKLICDGKKDKFVVLRQQVQKYKQVFIEAVAKAKKLDEALAQYFGNGT

General information: TITO was launched using: RESULT: Template: 4CGY.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 : 1638 62360 38.07 150.99 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 38.07 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.195

(partial model without unconserved sides chains): PDB file : Tito_4CGY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CGY-query.scw PDB file : Tito_Scwrl_4CGY.pdb: