Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFTILLSLAILVFVPFLYKANRNTKDVKVNTISIDQKDGLPARKKLNILHLSDLHLENI----------SVSPEELYHLTKD--QPVDIIALTGDFLDRKRNIPKLAGYLNALQKLK--PAYGMYAVFGNHDYVLKEEDFQRLKRVLEENGCITLQNEHVRIETAAGPVNIIGIDDYSTN----------RSNITGSYQSLENGYHLVLTHDPNIILD------------------MKDVHYDYLLSGHFHGGQIHWPKPYHLVKMGKLVRMNMIKGLHYHHDKPFYISEGLGQTGVNIRVGSRPEVTFHQI 3IB7 Chain:A ((21-227)) ----------------------------------------HPRPDYVLLHISDTHLIGGDRRLYGAVDADDRLGELLEQLNQSGLRPDAIVFTGDLADKGEPA-AYRKLRGLVEPFAAQLGAELVWVMGNHDDRAEL------RKFLLDEAP-SMAPLDRVC--MIDGLRIIVLDTSVPGHHHGEIRASQLGWLAEELATPAPDGTILALHHPPIPSVLDMAVTVELRDQAALGRVLRGTDVRAILAGHLHYSTNAT-------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3IB7.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 : 789 -102582 -130.01 -621.71 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -130.01 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.473

(partial model without unconserved sides chains): PDB file : Tito_3IB7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IB7-query.scw PDB file : Tito_Scwrl_3IB7.pdb: