Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQTTASITTAQWQQKRDQFVSKGVSNGNRSLAVKGEGAELYDLDGRRFIDFAGAIGTLNVGHSHPKVVEAVKRQAEELIHPGFNVMMYPTYIELAEKLCGIAPGSHEKKAIFLNSGAEAVENAVKIARKYTK------RQGVVSFTRGFHGRTNMTMSMTSKVKPYKFGFGPFAPEVYQAPFPYYYQKPAGMSDESYDDMVIQAFNDFF-IASVAPETVACVVMEPVQGEGGFIIPSKRFVQHVASFCKEHGIVFVADEIQTGFARTGTYFAIEHFDVVPDLITVSKSLAAGLPLSGVIGRAEMLDAAAPGELGGTYAGSPLGCAAALAVLDIIEE----EGLNERSEEIGKIIEDKAYEWKQEFPFIGDIRRLGAMAAIEIVKDPDTREPDKTKAAAIAAYANQNGLLLLTAGINGNIIRFLTPLVISDSLLNEGLSILEAGLRA 4JEY Chain:B ((42-408)) -------------------------------IPVKGKGSRVWDQQGKEYIDFAGGIAVTALGHCHPALVEALKSQGETLWHTS-NVFTNEPALRLGRKLI---DATFAERVLFMNSGTEANETAFKLARHYACVRHSPFKTKIIAFHNAFHGRSLFTVSVGGQPK-YSDGFGP---------------KPA--------DIIHVPFNDLHAVKAVMDDHTCAVVVEPIQGAGGVQAATPEFLKGLRDLCDEHQALLVFDEVQCGMGRTGDLFAYMHYGVTPDILTSAKALGGGFPVSAMLTTQEIASAFHVGSHGSTYGGNPLACAVAGATFDIINTPEVLQGIHTKRQQFVQHLQ----AIDEQFDIFSDIRGMGLLIGAELKPKYKGRARDFLYAGA------EAGVMVLNAG--ADVMRFAPSLVVEEADIHEGM---------

General information: TITO was launched using: RESULT: Template: 4JEY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2144 -221063 -103.11 -620.96 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -103.11 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.566

(partial model without unconserved sides chains): PDB file : Tito_4JEY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JEY-query.scw PDB file : Tito_Scwrl_4JEY.pdb: