Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVKFSMEKENRGKNMAIPKYQYIKDELKNKIISGQFSSGDKFYTEAELISMYDVSSITVVRALNDLAKDGYIVRQQGKGTFVSRARKHKLVEF-----SDIELFNAKDDKVTVLSIERGNKLVYLEKLGLRGDQFYYKIERIRESNGVVYIYHTSYIPEQYINANYPNLEYYS-SIYN--RFKLDYHIHMND--EHFEEINEIVFPTPEHAASVLGVDEQFPTVLQTKITKLESTGQVLEYSETYKRSDYYKIKFISCDRDH 3BWG Chain:A ((8-219)) --------------------QQIATEIETYIEEHQLQQGDKLPVLETLMAQFEVSKSTITKSLELLEQKGAIFQVRGSGIFVRKHKRKGYISLLSNQG----DFNV-TSKVIELDVRKPTPEA-AENLNIGMDEDIYYVKRVRYINGQTLCYEESYYTKSIV--TYLNNEIVSHSIFHYIREGLGLKIGFSDLFLHVGQLN-------EEEAEYLGLEAGLPKLYIESIFHL-TNGQPFDYS--------------------

General information: TITO was launched using: RESULT: Template: 3BWG.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 : 702 -36013 -51.30 -183.74 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -51.30 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.328

(partial model without unconserved sides chains): PDB file : Tito_3BWG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BWG-query.scw PDB file : Tito_Scwrl_3BWG.pdb: