Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPARGRSVNKGYPITDLVILAGGQ---ARRMNGLNKLLQQFDSDTQLLKIHQKLKSS-VSEIWVNSHRDYSIYQSIVPDIKCFQDDASGFFGPLMGMKSAWSHVKADYVLFIPCDVTYMPTQVVAKLHSALRKNKQAQAAYVSINGDALYPFCLLKRESLEVLEQQIDKQQLSLKNCFKLLHAQVAIFQKQNLFFHSINSLDELQQYKQIKAFKEIFSTN 2DPW Chain:A ((1-110)) ------------MRPSAIVLAGGKEAWAERFGVGSKALVPYRGRPMVEWVLEALYAAGLSPVYVGENPGL--VP-----APALTLP--DRGGLLENLEQALEHVE-GRVLVATGDIPHLTEEAVRFVLDKAP----------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2DPW.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 : 552 -14697 -26.63 -138.65 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -26.63 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.345

(partial model without unconserved sides chains): PDB file : Tito_2DPW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DPW-query.scw PDB file : Tito_Scwrl_2DPW.pdb: