Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKLIEREKTVYYKEKPDPSSLGFGQYFTDYMFVMDYEEGIGWHHPRIAPYAPLTLDPSSSVFHYGQAVFEGLKAYRTDDGRVLLFRPDQNIKRLNRSCE--RMSMPPLDEELVLEALTQLVELEKDWVPKEKGTSLYIRPFVIATEPSLGVK--ASRSYTFMIVLSPVGSYYGDDQLKPVRIYVEDEYVR-AVNGGVGFAKTAGNYAASLQAQRKANELGYDQVLWLDAIEKKYVEEVGSMNIFFVINGEAVTPALSGSI-LSGVTRASAIELIRSWGIPVREERISIDEVYAASARGELTEVFGTGTAAVVTPVGELNIHGKTVIVGDGQIGDLSKKLYETITDIQLGKVKGPFNWTVEV 2EJ3 Chain:A ((2-294)) -----------------------------------QIKAGLIWMNGAFVPQEEAKTSVLSHALHYGTSVFEGIRAYETAKGPA-IFRLKEHVKRFYNSAKVLRMEIPFAPEELE-EAIKEVVR-------RNGYRSCYIRPLAWMGAKALGVNPLPNNPAEVMVAAWEW--------VRKGARLITSSWARFPANVMPGKAKVGGNYVNSALAKMEAVAAGADEALLLD--EEGYVAEGSGENLFFVRDG--VIYALEHSVNLEGITRDSVIRIAKDLGYEVQVVRATRDQLYMAD------EVFMTGTAAEVTPVSMIDWRP----IGKGTAGPVALRLREVYLEAVTGR-----------

General information: TITO was launched using: RESULT: Template: 2EJ3.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 : 1528 -148405 -97.12 -531.92 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -97.12 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_2EJ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2EJ3-query.scw PDB file : Tito_Scwrl_2EJ3.pdb: