Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEAARETRLPCAAMAILTPLSLADARRIGALYGLEIADVRGLLAGSVNSNFALTLADGRG-QVFLRVYEEQQLGAASREARMLEHLAAGGVA-TPQPLRRRDAAPSDTDAASDGAAFVAEHAGKPVALFPWVGGASLCQARVTPDATRRVGAALARVHLVGASFEGANASRFDL----DGLDQRLRGLRSPAGARSTAPAPALP--PD---VAAAVDELTGRLERIRA-----AAPRTPGPQTLIHGDLFRDNVLWEAGEISALLDFESASRGSAAFDLAVTMLAWCFGDDLDPDLVSALAAGYTAVRPLSTEERDRLFHESVIAALRFSITRITDFELRPKGSGVYKDFRRFLARQRTLERLGPEGLLALLGV 4PDY Chain:A ((21-304)) ---------------------PLIPQAVVSKYDLAIQQR---HA---DGNIEVWTDS-KGRRYAAKRSSI-APAHCRIMVQCLRHAQEQGFTKFARFVTTS-----------SN-APYVRHGDFTYYVTEWVSGQPANF--GLPEHVAQTAYTLAQFHEATRSFRTDWK-----DDVFGLFQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRDVIAYLEAERSSGGWCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLERGNWDGHLAYACFLHFDAVRNIPKSEYRAVEAILRFPYL-----------------------------------------------

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 : 1117 -8468 -7.58 -32.20 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -7.58 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.299

(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: