Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASFQSFGIPGQLEVIKKALDHVRVGVVITDPALEDNPIVYVNQGFVQMTGYETEEILGKNCRFLQGKHTDPAEVDNIRTALQNKEPVTVQIQNYKKDGTMFWNELNIDPMEI--EDKTYFVGIQNDITKQKEYEKLLE--DSL-TEITALSTPIVPIRNGISALPLVGNLTEERFNSIVCTLTNILSTSKDDYLIIDLSGLAQVNEQTADQIFKLSHLLKLTGTELIITGIKPELAMKMNKLDANFSSLKTYSNVKDAVKVLPIM 4R3A Chain:A ((18-170)) ------------------AWGRLPFSLTIADISQDDEPLIYVNRAFEQMTGYSRSSVVGRNCRFLQGEKTDPGAVERLAKAIRNCEEVEETIYNYRADGEGFWNHLLMGPLEDQDEKCRYFVGIQVDMGQSE---RATELDRQLAEVQHRVKNHLAMIVSM---------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4R3A.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 : 555 -29489 -53.13 -218.43 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -53.13 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.536

(partial model without unconserved sides chains): PDB file : Tito_4R3A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R3A-query.scw PDB file : Tito_Scwrl_4R3A.pdb: