Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSRTGDPTDAEVREIGILAGNQRATCDDRAYFQAAAERLAMLPDASEPDVPVLLLEQHYGQQGALTALSSEVERTFDARLA-DGRAFILKTSSRPQALESFQFQSAALAGLRGADGVM-APKVIDTLSGGLMFEHEGGCGYLQTRMDGIPLHMVPRTPEILREVGAALARLNLAMKDTDPPAARRPVLWNI---ACWPWLVELERYLSK----G-----------RTAKLVRSAMAEYIRD-ISP--HIADLDWQVTHNDPSPFNMIDT-GKGIGFIDFGDGGWNPRVQDLAIAAGHFVIDPRTPLGGAEHVIAGYASLAPLSELEASLLLGLMRARQSALVLINNWRSHLFPAAAPYIMKNVKRAEQGLAVLALLDVSSGEAAIRAAAGLDPP 4PDY Chain:A ((25-303)) -----------------------------------------------------QAVVSKYDLAIQ--QR--HADGNIEVWTDSKGRRYAAKRSSIA--PAHCRIMVQCLRHAQEQ-GFTKFARFVTTSSNAPYVRHGDFTYYVTEWVSGQPANFG--LPEHVAQTAYTLAQFHEATRSFRTDWK---DDVFGLFQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRDVIAYLEAERSSGGWCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLERGNWDGHLAYACFLHFDAVRNIPKSEYRAVEAILRFPY--------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4PDY.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 : 1016 6733 6.63 26.93 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 6.63 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.268

(partial model without unconserved sides chains): PDB file : Tito_4PDY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4pdy-query.scw PDB file : Tito_Scwrl_4PDY.pdb: