Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNLEQDIRAILRTEIKKHLKFKDVQCELNEIRSKNGVYVYRIITTST-SYVIKYFEKNE--FRRELDYYNLLIELEIP-TIPVISMTDQSIILED---IEQSETYRLGFESDLENENVARGLVAWYTQFHKKGRIYLKQNPEQKASLYNEYNELTK--NVITDIM-TKTG-TNHYKYWHILINHFDDLIAQSK------------------SYTSTLTYNDFYYTNFIVSKDESEVIMFDYNFLGVGYRYSDVRNIVSSLKG------NAKSLFLACYP---QCNEGEVILDDVLADLFVLKEAYKRDQFPSWAKIPVEQLDNGVFEQKVLKLKHYFKFD 4PDY Chain:A ((24-293)) -----------PQAVVSKYDLAIQQ----RHADG---NIEVWTDSKGRRYAAKRSSIAPAHCRIMVQCLRHAQEQGFTKFARFVTTSSNAPYVRHGDFTYYVTEWVSGQPANFGLPEHVAQTAYTLAQFHEATRSFR-TDWK-----DDVFGLFQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRDVIAYLEAERSSGGWCHLDVIPSNCLYTPQH-QVVLIDFELARPAPRALDMAHLLRRSLERGNWDGHLAYACFLHFDAVRNIPKSEYR--------------------------------------------------

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 : 872 -17146 -19.66 -75.53 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -19.66 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.290

(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: