Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKQKLSVKNSITDYIEWLAQYGASADGGVTRLLYTKEWMDAQLAVKTEMSSFGLETRFDDVGNVFGRLSGT-QSPDEVIVTGSHIDTVINGGKYDGAYGVLAAMLALKQLKETYGAPK-KTLEAVSLCEEEGSRFPMTYWGSGNMTGVFS------EQDAKEPRDESGVSLQTAMHESG--FGKGVFQSAYRTDISAFVELHIEQGKTLEMSGRDLGIVTSIAGQRRYLVTLEGECNHAGTTSMKWRKDPLAASSRIIHELLLRSDEL----PDELRLTCGKITAEPNVANVIPGRVQFSIDIRHQHQHVLEQFHQDMVALINGICLQKGIRAVIDEYMRIEPVPMDERLKAAAFETALENGFSCEEMVSGAGHDAQMIGRRYPACMLFVPSRGGVSHSPKEYTSARQLEIGVRALTDLLYKLAY 4WJB Chain:A ((18-421)) -----RVDGDRLWASLERMAQIGATPKGGVCRLALTDLDRESRDLFVQWAREAGCTVRVDRMGNVFARRAGRRPDA-APVMTGSHADSQPTGGRYDGIYGVLGGLEVVRALNDA-AIETERPVDVVIWTNEEGSR------FAPAMVSAGVFSGVYTLEYGLSRTDGAGRTIGEELERIGYAGAEPV----GGYPVHAAYELHIEQGAILERAGKTIGVVTAGQGQRWYEVTLTGVDAHAGTTPMAFRRDALVGAARMISFV----EVLGRRYAPDARATVGMIEARPNSRNTVPGGCFFTVEFRHPDDAVLDELDAALRAELARVADETGLGAQIEQIFTYAPVPFAPRCIDTVRDAARSLGLSHMDIVSGAGHDACYVARVAPTGMIFVPCVDGLSHNEAEAITPEWATAGADVLLRAVLQSA-

General information: TITO was launched using: RESULT: Template: 4WJB.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 : 2240 1274 0.57 3.27 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 0.57 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.493

(partial model without unconserved sides chains): PDB file : Tito_4WJB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WJB-query.scw PDB file : Tito_Scwrl_4WJB.pdb: