Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPVPEQKQTVQLSSPMNAVSSSEDIKPPLGLNGVMKVPAHRIGTLSLSLTKHICAICGDRSSGKHYGVYSCEGCKGFFKRTVRKDLTYTCRDNKDCMIDKRQRNRCQYCRYQKCLAMGMKREAVQEERQRAKERSEAEFGGCANEDMPVEKILEAELAVEPKTETYVEANLSPSANSPNDPVTNICQAADKQLFTLVEWAKRIPHFSDLPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHTAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPSEVEALRERVYASLEAYCKHKYPDQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQIT 1XIU Chain:B ((3-226)) -----------------------------------------------------------------------------------------------------------------------------------------------NNDMPVEQILEAELAVDPKIDTYIDAQ--------KDPVTNICQAADKQLFTLVEWAKRIPHFTELPLEDQVILLRAGWNELLIAGFSHRSIMAKDGILLATGLHVHRSSAHQAGVGTIFDRVLTELVAKMRDMKMDKTELGCLRAVVLFNPDAKGLTAVQEVEQLREKVYASLEEYTKSRYPEEPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDQPIDTFLMEMLENP----

General information: TITO was launched using: RESULT: Template: 1XIU.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 : 1042 -122284 -117.35 -545.91 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -117.35 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.350

(partial model without unconserved sides chains): PDB file : Tito_1XIU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1xiu-query.scw PDB file : Tito_Scwrl_1XIU.pdb: