Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLYNLNVYIRGDNMSSIPFSRISRFWGLK-RKIVLEKKTNA-RA-FI-VRSGSIFYVLKRRVA-S---LPSR-SCQTELLKYLVQSGLPVSAPIPSGSGEFEVKIGKYVYSLFPYIEGEKADSNISNATPEMAEELGIFTGRLHRVLKEAEG-SFFERTNLLKSLTS-AIRYFNST---G---S----FFSRSDMEMIEEFFTDFYKL-YYKLPVQIIHGDYHPGNIIVHE--GKVSGIIDFDCATREVKALDLAYLIHSVFAEFS-RM---GSPSLFLYLLPHLLEGYCL--ENTLSFDERESLGYLLAAISIIQIHYFSANGLSDEANFASTVFRWIYLNNHRIKEKSGLVLTRSKKAV 4WH3 Chain:A ((5-302)) ---------------NEVLFGIASHFALEGAVTGIEPYGDGHINTTYLVTTDGPRYILQQMNTSIFPDTVNLMRNVELVTSTLKAQGKETLDIVPTTSGATWAEIDGGAWRVYKFIEHTVSYNLV--PNPDVFREAGSAFGDFQNFLSEFDASQLTETIAHFHDTPHRFEDFKAALAADKLGRAAACQPEIDFYLSHADQYAVVMDGLRDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALEDEKDLSKVHFSTELFRAYTEGFVGELRGSITAREAELLPFSGNLLTME----------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WH3.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 : 1131 -7924 -7.01 -29.57 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -7.01 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.350

(partial model without unconserved sides chains): PDB file : Tito_4WH3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4wh3-query.scw PDB file : Tito_Scwrl_4WH3.pdb: