Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEQVQADRMILEDLLVSIQRDLGLVVHEAISIRRGWLNLKWKLETD-QG-TYLLKQYNRERFKLYDEEVLLMAFSQQIRLRRRGVK-CPKLLTNEGRYFLKSDQGERFMVMEFCEGQLVAPGGTNADQMRALGREVALMHRVLNDGSLGVKDKPQFVPPSRMERLDYWKRVMEQAA------------ESEI----PEVLTALETQYTATERFRD-----E--LNPMQPGWAHRDVWVDNLLFRPAGVAAILDFDRLNYDYPQLDIARAVLSCALHSELDVVLVSAFMEGYREEREVPKGYLVQGIRWLWYMESVWWVNANILEHQGPPARFAWEMDWLAKHLDMLPELLEQV 4PDY Chain:A ((22-310)) ------------LIPQAVVSKYDLAIQQR---H---ADGNIEVWTDSKGRRYAAKRSSI------APAHCRIMVQCLRHAQEQGFTKFARFVTTSSNAPYVRHGDFTYYVTEWVSGQPAN--FGLPEHVAQTAYTLAQFHEATRSFRTDWK----------DDVFGLFQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRDVIAYLEAERSSGGWCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLERGNWDGHLAYACFLHFDAVRNIPKSEYRAVEAILRFPYLPWRIAH---------------------------------

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 : 1089 -1688 -1.55 -6.54 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -1.55 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.363

(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: