Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKYKALLSSLSIALFSLSLAGCNDNDSQETAVSTPKQPNILFIMADDLGYSDLGAFGGEIHTPNIDSLAQEGRILTDYHTAPTCSPTRSQLISGTDHHLAGIGAMAELTPDHLKGQPGYEGYLNERSLSITQVLKDNGYRTYISGKWHLGLTPETNAHAKGFDHSFTLLQGLDHHF-------KQAPSAFKRN-STYTEDGQIIPVSALPDDFFSTNYFTDKLLSYLESGKNSGKPFFAYAAYTAPHWPIQAPAEYREKYRGAYDVGYDAIRNARIERQKQLGIIPVNFEAAEPIATQNAPQKYGKYELTAEQKALEARKMEIYAGMVENLDANVGRIIQYLKQNNLYDNTLIFFVSDNGAEGFVRGSYG---------CESGFDNSVANVGTPTSYHYIGPRWAEVSAAPFHLWKDTAGEGATTAPAIVKLPNQKKAEETNHSFASVLDVFPTLLDYAHIPVPQGQYKGRTINTPSGYSWKSVLENKSQTIRPANFSFADELHGSKYAKQGEWKIALQGRPELGTGSWELYNIATDRGENHNVAQLYPAKVQELLAVYQKYTEQNGVQEYNAK 4CXS Chain:B ((3-527)) -----------------------------------KRPNFLVIVADDLGFSDIGTFGGEIATPNLDALAIAGLRLTDFHTA-SASPTRSMLLTGTDHHIAGIGTMAEA---------GYEGHLNERVVALPELLREAGYQTLMAGKWHLGLKPEQTPHARGFERSFALLPGAANHYGFEPPYDESTPRILKGTPALYVEDERYL--DTLPEGFYSSDAFGDKLLQYLKE-RDQSRPFFAYLPFSAPHWPLQAPREIVEKYRGRYDAGPEALRQERLARLKELGLVEADVEAHPVLALTREWEA-----LEDEERAKSARAMEVYAAMVERMDWNIGRVVDYLRRQGELDNTFVLFMSDNGAEGALLEAF-KFGPDLLDFLDRHYDNSLENIGRANSYVWYGPRWAQAATAPSRLYKAFTTQGGIRVPALVRYPRLSRQGAISHAFATVMDVTPTLLDLAGVRHPGKRWRGREIAEPRGRSWLGWLSGETEAAHDENTVTGWGLFGMRAIRQGDWKAVYLPAP-VGPATWQLYDLARDPGEIHDLADSQPGKLAELIEHWKRYVSDTGVV-----

General information: TITO was launched using: RESULT: Template: 4CXS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 3158 54915 17.39 110.49 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : 17.39 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.507

(partial model without unconserved sides chains): PDB file : Tito_4CXS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CXS-query.scw PDB file : Tito_Scwrl_4CXS.pdb: