Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIAIAGAGAMGSRFGLMLHQSGNEVLLIDGWAEHVQQIKEHGLQANFNGKEVEAKLPIVLQSEVEKEDQVDLIILFTKAMQLEKMLQDIQSLIKKDTEVLCLLNGIGHEDIIEKFVPMENIYIGNTMWTAGLEGPGQVKLFGSGSVELQNLGDGKEAAAKKLADKLSESGLNAHFSDNIHYSIYRKACVNGTMNGLCTILDVNMAELGKTSTAHKMVATIVNEFAKVAAVEKIELDVPEVIAHCESCFDP-ETIGLHYPSMYQDLIKNHRLTEIDYINGAISRKGKKYGVATPYCDFLTELVHAKEDSLNVK 5HWS Chain:A ((1-295)) MRIYVLGAGSIGSLFGALLARAGNDVTLI-GRREQVDAINKNGLHV-FGAEEFTVKPKATIYA---PEEPPDLLILAVKSYSTKTALEAARQCIGRNTWVLSIQNGLGNEELALKYTP--NVMGGVTTNGAMLVEWGKVLWAGKGITVIGRYPTGRDDFVDEVASVFNEAGIDTSVTENAIGWKWAKAIVNSVINGLGTVLEVKNGHLKDDPHLEGISVDIAREGCMVAQQLGIEFE----IHPLELLWDTIERTRENYNSTLQDIWRG-RETEVDYIHGKIVEYARSVGMEAPRNELLWVLVKAKE------

General information: TITO was launched using: RESULT: Template: 5HWS.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 : 1749 -153202 -87.59 -521.09 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -87.59 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.518

(partial model without unconserved sides chains): PDB file : Tito_5HWS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HWS-query.scw PDB file : Tito_Scwrl_5HWS.pdb: