Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDFSLELPVRTNKPRETGQSILIDNGYPLQFFKDAIAGASDYIDFVKFGWGTSLL--TKDLEEKISTLKEHDITFFFGGTLFEKYVSQKKVNEFHRYCTYFGCEYIEISNGTLPMTNKEKAAYIADFSD-EFLVLSEVGSKDAELASRQSSEEWLEYIVEDMEAGAEKVITEARESGTGGICSSSGDVRFQIVDDIISSDIDINRLIFEAPNKTLQQGFIQKIGPNVNLANIPFHDAIALETLRLGLRSDTFFL 3JR2 Chain:A ((20-139)) -------------------------------DAVAVASNVASYVDVIEVGTILAFAEGMKAVSTLRHNH--PNHILVCDMKTT------DGGAILSRMAFEAGADWITVSAAAHI---ATIAACKKVADELNGEIQIEIYGNW-------TM----QDAKAWVDLGITQAIYH----------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3JR2.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 : 530 -67973 -128.25 -580.96 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -128.25 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.543

(partial model without unconserved sides chains): PDB file : Tito_3JR2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3JR2-query.scw PDB file : Tito_Scwrl_3JR2.pdb: