Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLACGSDDLRTEEGLRIAALYGWDPEDTACQLLQRG-ENGTFLVR-TSGTRYILRRYRRERY-RE-QEILAELAWMCALR-DHINVPNVIANTEGDLATRLVGPDGERLYAVFEFIEGESPES--SSSEDYRRLGELMKALHRGADAIAQSMNEDWAGWNRPVYD-VQRAVREPLRHLLQF--EALS--EVNKTRCVSVARELERRFRT---LQPGRPFVHADLHFGNIVVRE--P-NWYCLDFDECGYGHRAFDLGVVRLHLRN-----------RSDNFDCWAHFEHGYGD--MPSRGDLATGTAARIFYMAGKIPMRQDIDSLRHNPDARIGKYLTWIEDELM 4WH3 Chain:A ((4-302)) ---------SNEVLFGIASHFALEGAVTGIEPYGDGHINTTYLVTTD-GPRYILQQMNTSIFPDTVNLMRNVELVTSTLKAQGKETLDIVPTTSGATWAEI----DGGAWRVYKFIEHTVSYNLVPNPDVFREAGSAFGDFQNFLSEFD--ASQLT--ETIAHFHDTPHRFEDFKAALAADKLGRAAACQPEIDFYLSHADQYAVVMDGLRDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALEDEKDLSKVHFSTELFRAYTEGFVGELRGSITAREA-ELLPFSGNLLTME----------------------------

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 : 1118 -25069 -22.42 -93.54 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -22.42 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.237

(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: