Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFNQVMLVGRLTKDPDLRYTSAGAAVAHVTLAVNRSFKNASGEIEADYVNCTLWRKTAENTALYCQKGSLVGVSGRIQTRSYENEEGVNVYVTEVLADTVRFMDPKPREKAAD 4GS3 Chain:A ((7-103)) ENNTVTLVGKVFTPLEFSHELYGEKFFNFILEVPRL------SETKDYLPITISNRLFEGM--NLEVGTRVKIEGQLRSYNR-------KLILTVFARDISVVP---------

General information: TITO was launched using: RESULT: Template: 4GS3.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 : 382 -62487 -163.58 -702.10 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -163.58 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.581

(partial model without unconserved sides chains): PDB file : Tito_4GS3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GS3-query.scw PDB file : Tito_Scwrl_4GS3.pdb: