Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVFTPLERSTLEAFLAPYDLGRLRDFRGIAEGSENSNFFVSL-EHG-EFVLTLVERGPVQDLPFFIELLDVLHEDGLP-VPYALRTRDGEALRRLEGKPALLQPRLAGRHERQPNAHHCQEVGDLLGHLHAATRGRILERPSDRGL----PWMLEQGANLAP------------RLP-------EQARALLAPALAEIAAL---DAE--RPALPRANLHADLFRDNVLFDGPHLAGLIDFYNACSGWMLYDLAITLNDWCSNTDGSLDPARARALLAAYANRRPFTALEAEHWPSMLRVACVRFWLSRLIAAEAFAGQDVLIHDPAEFEIRLAQRQNVEIHLPFAL 4PDY Chain:A ((24-303)) -----------PQAVVSKYDL-AIQQR---HA---DGNIEVWTDSKGRRYAAKRSSI-APAHCRIMVQCLRHAQEQGFTKFARFVTTSSNAPYVRHGDFTYYVTEWVSGQPANFGLPEHVAQTAYTLAQFHEATRSFRTDWK-----DDVFGLFQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLA-LFEDRDVIAYLEAERSSGGWCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLERG--NWDGHLAYACFLHFDAVRNIPKSEYRAVEAILRFPY---------------------------------------------

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 : 960 -25287 -26.34 -103.63 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -26.34 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.381

(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: