Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----MGKSKMTNSNYKLTKEDFNQINKRR-------LFTFQLGWNYERMQASGYLYMIL----PQLRKMYGDGTP------ELKEMMKVHTQFFNTSPFFHTIIAGFDLAMEEKDGVGSKDAVNGIKTGLM-GPFAPLGDTIFGSLVPAI----MGSVAATMAIAGQPWGIFLWIAVAVAYD--------IFRWKQLEF-------AYKEGVNLINNMQSTLTALIDAASVLGVFMMGALVATVINFEISYKLPIGEKMIDFQDILNQIFPRLLPAIFTAFIFWLLGKKGMNSTKAIGIIIVL--------ALALSALGHFALGM---------------------------------------------- 1W3B Chain:B ((1-388)) GPMELAHREYQAGDFEAAERHCMQLWRQEPDNTGVLLLLSSIHFQCRRLDRSAHFSTLAIKQNPLLAEAYSNLGNVYKERGQLQEAIEHYRHALRLKPDFIDGYINLAAALVAAGD--MEGAVQAYVSALQYNPDLYCVRSDLGNLLKALGRLEEAKACYLKAIETQPNFAVAWSNLGCVFNAQGEIWLAIHHFEKAVTLDPNFLDAYINLGNVLKEARIFDRAVAAYLRALSLSPNHAVVHGNL-ACVYYEQGLIDLAIDTYRRAIELQPHFPDAYCNLANALKEKGSVAEAEDCYNTALRLCPTHADSYRKALEVFPEFAAAHSNLASVLQQQGKLQEALMHYKEAIRISPTFADAYSNMGNTLKEMQD

General information: TITO was launched using: RESULT: Template: 1W3B.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1289 -70146 -54.42 -256.94 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -54.42 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.251

(partial model without unconserved sides chains): PDB file : Tito_1W3B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1W3B-query.scw PDB file : Tito_Scwrl_1W3B.pdb: