Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKYKALLSSLSIALFSLSLAGCNDNDSQETAVSTPKQPNILFIMADDLGYSDLGAFGGEIHTPNIDSLAQEGRILTDYHTAPTCSPTRSQLISGTDHHLAGIGAMAELTPDHLKGQPGYEGYLNERSLSITQVLKDNGYRTYISGKWHLGLTPETNAHAKGFDHSFTLLQGLDHHF-------KQAPSAFKRN-STYTEDGQIIPVSALPDDFFSTNYFTDKLLSYLESGKNSGKPFFAYAAYTAPHWPIQAPAEYREKYRGAYDVGYDAIRNARIERQKQLGIIPVNFEAAEPIATQNAPQKYGKYELTAEQKALEARKMEIYAGMVENLDANVGRIIQYLKQNNLYDNTLIFFVSDNGAEGFVRGSYG---------CESGFDNSVANVGTPTSYHYIGPRWAEVSAAPFHLWKDTAGEGATTAPAIVKLPNQKKAEETNHSFASVLDVFPTLLDYAHIPVPQGQYKGRTINTPSGYSWKSVLENKSQTIRPANFSFADELHGSKYAKQGEWKIALQGRPELGTGSWELYNIATDRGENHNVAQLYPAKVQELLAVYQKYTEQNGVQEYNAK 4CXU Chain:A ((3-527)) -----------------------------------KRPNFLVIVADDLGFSDIGTFGGEIATPNLDALAIAGLRLTDFHTASA-SPTRSMLLTGTDHHIAGIGTMAEAL--------GYEGHLNERVVALPELLREAGYQTLMAGKWHLGLKPEQTPHARGFERSFALLPGAANHYGFEPPYDESTPRILKGTPALYVEDERYL--DTLPEGFYSSDAFGDKLLQYLKE-RDQSRPFFAYLPFSAPHWPLQAPREIVEKYRGRYDAGPEALRQERLARLKELGLVEADVEAHPVLALTREWEA-----LEDEERAKSARAMEVYAAMVERMDWNIGRVVDYLRRQGELDNTFVLFMSDNGAEGALLEAFPKFGPDLLDFLDRHYDNSLENIGRANSYVWYGPRWAQAATAPSRLYKAFTTQGGIRVPALVRYPRLSRQGAISHAFATVMDVTPTLLDLAGVRHPGKRWRGREIAEPRGRSWLGWLSGETEAAHDENTVTGWGLFGMRAIRQGDWKAVYLPAP-VGPATWQLYDLARDPGEIHDLADSQPGKLAELIEHWKRYVSDTGVV-----

General information: TITO was launched using: RESULT: Template: 4CXU.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 : 3095 52716 17.03 105.64 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : 17.03 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.527

(partial model without unconserved sides chains): PDB file : Tito_4CXU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CXU-query.scw PDB file : Tito_Scwrl_4CXU.pdb: