Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSTLNTRLIWIDLEMTGLDTDNDQIIEIATIITDDHLNVLAEGPVLAIHQPDRILNAMDEWNTRQHGQSGLIERVRRSKLTARDAELQTLEFL----KKWVNPKVSPMCGNSICQDRRFLHRLMPELEQYFHYRNL---------------DVSTVKELSKRWRPE--------------------IMSGLKKNASHLAMDDIRDSISELKYYRE-----YFFIMNTDGKD 4RG8 Chain:A ((48-261)) ---CCS--LYWYDYETFGTDPRRDRPAQFAGIRTDLELNPIGE-PVTLFCKPARDVLPVPE--------ACLITGI--TPQMAAERGLKEAEFITRIHEQFSVPGTCVAGYNNI--------RFDDEVTRHCLYRNLFDPYEREWRNGNSRWDIIDMLRLTRALRPEGIEWPVDGSGKPSLRLEALTVANGIQH--AHDALADVRATIAVARLVRERQPKLFNFVFANRGK-

General information: TITO was launched using: RESULT: Template: 4RG8.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 : 661 -24513 -37.08 -152.25 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -37.08 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.328

(partial model without unconserved sides chains): PDB file : Tito_4RG8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RG8-query.scw PDB file : Tito_Scwrl_4RG8.pdb: