Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKYKALLSSLSIALFSLSLAGCNDNDSQETAVSTPKQPNILFIMADDLGYSDLGAFGGEIHTPNIDSLAQEGRILTDYHTAPTCSPTRSQLISGTDHHLAGIGAMAELTPDHLKGQPGYEGYLNERSLSITQVLKDNGYRTYISGKWHLGLTPETNAHAKGFDHSFTLLQGLDHHF-------KQAPSAFKRN-STYTEDGQIIPVSALPDDFFSTNYFTDKLLSYLESGKNSGKPFFAYAAYTAPHWPIQAPAEYREKYRGAYDVGYDAIRNARIERQKQLGIIPVNFEAAEPIATQNAPQKYGKYELTAEQKALEARKMEIYAGMVENLDANVGRIIQYLKQNNLYDNTLIFFVSDNGAEGFVRGSYG---------CESGFDNSVANVGTPTSYHYIGPRWAEVSAAPFHLWKDTAGEGATTAPAIVKLPNQKKAEETNHSFASVLDVFPTLLDYAHIPVPQGQYKGRTINTPSGYSWKSVLENKSQTIRPANFSFADELHGSKYAKQGEWKIALQGRPELGTGSWELYNIATDRGENHNVAQLYPAKVQELLAVYQKYTEQNGVQEYNAK 4CYS Chain:A ((3-528)) -----------------------------------KRPNFLVIVADDLGFSDIGAFGGEIATPNLDALAIAGLRLTDFHTASA-SPTRSMLLTGTDHHIAGIGTVAEALTPELEGKPGYEGHLNERVVALPELLREAGYQTLMAGKWHLGLKPEQTPHARGFERSFSLLPGAANHYGFEPPYDESTPRILKGTPALYVEDERYL--DTLPEGFYSSDAFGDKLLQYLKE-RDQSRPFFAYLPFSAPHWPLQAPREIVEKYRGRYDAGPEALRQERLARLKELGLVEADVEAHPVLALTREWEA-----LEDEERAKSARAMEVYAAMVERMDWNIGRVVDYLRRQGELDNTFVLFMSDNGAEGALLEAFPKFGPDLLDFLDRHYDNSLENIGSANSYVWYGPRWAQAATAPSRLYKAFTTQGGIRVPALVRYPRLSRQGAISHAFATVMDVTPTLLDLAGVRHPGKRWRGREIAEPRGRSWLGWLSGETEAAHDENTVTGWGLFGMRAIRQGDWKAVYLPAP-VGPATWQLYDLARDPGEIHDLADSQPGKLAELIEHWKRYVSDTGVVE----

General information: TITO was launched using: RESULT: Template: 4CYS.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 : 3197 57763 18.07 113.71 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : 18.07 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.516

(partial model without unconserved sides chains): PDB file : Tito_4CYS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CYS-query.scw PDB file : Tito_Scwrl_4CYS.pdb: