Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLYNLNVYIRGDNMSSIPFSR-ISRFWGLKRKIVLEKKTNARAFIVRS-GSI-FYVLKRRVASLPSRSCQTELLKYLVQSGLP-VSAPIPSGSGEFEVKIGKYVYSLFPYIEGEKADSNISNATPEMAEELGIFTGRLHRVLKEAEG-S-FFERTNLLKS---LTS-AIRYF---NS--TG-------SFFSRSDMEMIEEFFTDFYK------L-YYKLPVQIIHGDYHPGNIIVHEGKVSGIIDFDCATREVKALDLAYLIHSVFAEFSRMGSPSLFLYLLPHLLEGYCLENTLSFDERESLGYLLAAISIIQIHYFSANGLSDEANFASTVFRWIYLNNHRIKEKSGLVLTRSKKAV 4PDY Chain:A ((20-304)) ---------------APLIPQAVVSKYDLAI-QQR---HADGNIEVWTDSKGRRYAAKRSSIAPAHCRIMVQCLRHAQEQGFTKFARFVTTSSNAPYVRHGDFTYYVTEWVSGQPANFGL----PEHVAQTAYTLAQFHEATRSFRTDWK----DDVFGLFQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRDVIAYLEAERSSGGWCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLERG------NWDGHLAYACFLHFDAVRNIPKSEYRAVEAILRFPYL-----------------------------------------------

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 : 1022 -19159 -18.75 -76.33 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -18.75 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.325

(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: