Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKYKALLSSLSIALFSLSLAGCNDNDSQETAVSTPKQPNILFIMADDLGYSDLGAFGGEIHTPNIDSLAQEGRILTDYHTAPTCSPTRSQLISGTDHHLAGIGAMAELTPDHLKGQPGYEGYLNERSLSITQVLKDNGYRTYISGKWHLGLTPETNAHAKGFDHSFTLLQGLDHHFKQAP----S--AFKRNST-YTEDGQIIPVSALPDDFFSTNYFTDKLLSYLESGKNSGKPFFAYAAYTAPHWPIQAPAEYREKYRGAYDVGYDAIRNARIERQKQLGIIPVNFEAAEPIATQNAPQKYGKYELTAEQKALEARKMEIYAGMVENLDANVGRIIQYLKQNNLYDNTLIFFVSDNGAEGFVRGSYGCES---------GFDNSVANVGTPTSYHYIGPRWAEVSAAPFHLWKDTAGEGATTAPAIVKLPNQKKAEETNHSFASVLDVFPTLLDYAHIPVPQGQYKGRTINTPSGYSWKSVLENKSQTIRPANFSFADELHGSKYAKQGEWKIALQGRPELGTGSWELYNIATDRGENHNVAQLYPAKVQELLAVYQKYTEQNGVQEYNAK 4CYS Chain:B ((3-529)) -----------------------------------KRPNFLVIVADDLGFSDIGAFGGEIATPNLDALAIAGLRLTDFHTASA-SPTRSMLLTGTDHHIAGIGTVAEALTPELEGKPGYEGHLNERVVALPELLREAGYQTLMAGKWHLGLKPEQTPHARGFERSFSLLPGAANHYGFEPPYDESTPRILKGTPALYVEDERY-LDTLPEGFYSSDAFGDKLLQYLKER-DQSRPFFAYLPFSAPHWPLQAPREIVEKYRGRYDAGPEALRQERLARLKELGLVEADVEAHPVL-----ALTREWEALEDEERAKSARAMEVYAAMVERMDWNIGRVVDYLRRQGELDNTFVLFMSDNGAEGALLEAFPKFGPDLLDFLDRHYDNSLENIGSANSYVWYGPRWAQAATAPSRLYKAFTTQGGIRVPALVRYPRLSRQGAISHAFATVMDVTPTLLDLAGVRHPGKRWRGREIAEPRGRSWLGWLSGETEAAHDENTVTGWGLFGMRAIRQGDWKAVYLPAP-VGPATWQLYDLARDPGEIHDLADSQPGKLAELIEHWKRYVSDTGVVEG---

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 B - contact count / total energy / energy per contact / energy per residue : 3201 35470 11.08 69.55 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : 11.08 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.520

(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: