Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKLIEREKTVYYKEKPDPSSLGFGQYFTDYMFVMDYEEGIGWHHPRIAPYAPLTLDPSSSVFHYGQAVFEGLKAYRTDDGRVLLFRPDQNIKRLNRSCERMSMPP-LDEELVLEALTQLVELEKDWVPKEKGTSLYIRPFVIATEPSLGVKAS-RSYTFMIVLSPVGSYYGDDQLKPVRIYVEDEYVRAVNGG-VGFAKTAGNYAASLQAQRKANELGYDQVLWLDAIEKKYVEEVGSMNIFFVINGEAVTPALSGSILSGVTRASAIELIRSWGIPVREERISIDEVYAASARGELTEVFGTGTAAVVTPVGELNIHGKTVIVGDGQIGDLSKKLYETITDIQLGKVKGPFNWTVEV 5CE8 Chain:A ((12-306)) --------------------------------------SMKVWLDGRLVDEEEAKVTVLSPSLNYGFGVFEGIRAYWN-GENLYVFRLRDHMERLLRSAKIIGLDVPYTAEELSKAVVETVRANGF------KEDLYIRPVAYISKPQISLDVRGLQASVAIAAIPFGKYL---KVEGVRAAVVS-WRRVHTSMMPVMAKATGIYLNSIMAAVEARARGYDEAIMLNAE--GKVVEGSGENIFIVRRGVLMTPPLEDGILEGITRETVISIAGDLGIPLLEKSITREELYA------ADEAFFVGTAAEITPIIEIDG--R--VLQ---RGPITQKIAETYRRIVLGKEEKYLPWLTPV

General information: TITO was launched using: RESULT: Template: 5CE8.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 : 1626 -195476 -120.22 -669.44 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -120.22 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_5CE8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CE8-query.scw PDB file : Tito_Scwrl_5CE8.pdb: