Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFIHIVGPGDSLFSIGRRYGASVDQIRGVNGLDETNIVPGQALLIPLYVYTVQPRDTLTAIAAKAFVPLERLRAANPGISPNALQAGAKITIPSISNYIAGTLSFYVLRNPDLDRELINDYAPYSSSISIFEYHIAPNGDIA-N--QLN--DAAAIE----TTWQRRVTPLATITNLTSGGFSTEIVHQVLNNPTARTNLVNNIYDLVSTRGYGGVTID-FEQVSAADRDLFTGFLRQLRDRLQAGGYVLTIAVPAKTSDNIP---WLRGYDYGGIGAVVNYMFIMAYDWHHAGSEPGPVAPITEIRRTIEFTI-AQVPSRKIIIGVPLYGYDWIIPYQPGTVASAISNQNAIERAMRYQAPIQYSAEYQSPFFRYSDQQGRTHEVWFEDVRSMSRKMQIVREYRLQAIGAWQLTLGFTPGPWLLRKFFTIRKV 3BXW Chain:B ((77-393)) -------------------------------------------------------------------------------------------------FAGDVLGYVTPWNSH-GYDVTKVFGSKFTQISPVWLQLKRRGREMFEVTGLHDVDQGWMRAVRKHAKGLHIVPRLLFEDWT-----YDDFRNVLDSEDEIEELSKTVVQVAKNQHFDGFVVEVWNQLLS-KRVGLIHMLTHLAEALHQARLLALLVIPPAITPGTDQLGMFTHKEFEQLAPVLDGFSLMTYDYSTAH-QPGPNAPLSWVRACVQVLDPKSKWRSKILLGLNFYGMDYATSKDAR---EPVVGARYIQTLKDHRPRMVWDSQASEHFFEYKKSRSGRHVVFYPTLKSLQVRLELARELGV-GVSIWELGQGLDYFYDLL---------

General information: TITO was launched using: RESULT: Template: 3BXW.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 : 1610 -203760 -126.56 -674.70 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -126.56 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_3BXW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BXW-query.scw PDB file : Tito_Scwrl_3BXW.pdb: