Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPARGRSVNKGYPITDLVILAGGQARRMNGLNKLLQQFDSDTQLLKIHQKLKSSVSEIWVNSHRDY-SIYQSIVPDIKCFQDDASGFFGPLMGMKSAWSHVKADYVLFIPCDVTYMPTQVVAKLHSALRKNKQAQAAYVSINGDALYPFCL-LKRESLEVLEQQIDKQQLSLKNCFKLLHAQVAIFQ------KQNLFFHSINSLDELQQYKQIKAFKEIFSTN 3NGW Chain:A ((1-195)) --------------MKVAVLVGGVGRRIG-MEKTEVMLCGKKLIEWVLEKYSPF-QTVFVCRDEKQAEKLSS-RYEAEFIWDL-HKGVGSIAGIHAALRHF--GSCVVAAIDMPFVKPEVLEHLYKEGEKA-GCDALIPK-H-DYPEPLLAYYAESAADELERAILQGIRKILVPLERLNVVYYPVEKLRKFDKELISFFNINTPDDLKRAEEICSKM------

General information: TITO was launched using: RESULT: Template: 3NGW.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 : 998 -26445 -26.50 -141.42 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -26.50 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.453

(partial model without unconserved sides chains): PDB file : Tito_3NGW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NGW-query.scw PDB file : Tito_Scwrl_3NGW.pdb: