Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTHTAVANVKLNWTYFCLILASTFLQGSSFVATKILLSSMSPLWVATI-RFFIAALSLLPLIIYRYFKNPISLFNIPWLKLFVIGLFQTAGVMAFLNIGLGYTSPSTAAILMASNPLLVVILAMLILGERISIRALV--GLIVAFIGVVICIGLGNTNSGGIGRGEVLVILASSCWAIATIIN--------KKFNLHLDPWVITFWQMLLGSLVLFLVAL----------FSQQPFTLPTTESMWLTFLWLAIPASTGAMGLWFAALKIGGAIHTSGFLFLCPLFSAIITYFV-LGTVLTSQELIGGFLIGTGIYVLSRYR--------- 5DOQ Chain:B ((1-330)) MTLEVIGISVLWLFLFGYIIVASIDFGAGFFSVYSHWANQQHILHRIIQRYLSPVWEVTNVFLVFFFVGIVGFFPKTAYYYGSILLVPASIAIVLLAIRGSYYAFHTYGETERNWYLLAYGLTGLFIPASLSIVLTISEGGFVEENAAGVALDYGKLFASPLSWSVVLLSVTSVLYISAVFLTYYADAAGDEQARALLRRYALLWSGPTMLSALLIIYQLRYHNPEHYDNLWNVAWMLVISFLFFVITVWLLGRQRRFGWAFIALLFQYAFAFYAYGISHYPYLLYPYLTIYDGFTNETMAMALIVAFIAGLLLLIPSLYLLMRLFLFNK

General information: TITO was launched using: RESULT: Template: 5DOQ.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 : 1308 -225861 -172.68 -755.39 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : -172.68 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.174

(partial model without unconserved sides chains): PDB file : Tito_5DOQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5DOQ-query.scw PDB file : Tito_Scwrl_5DOQ.pdb: