Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------MFYSIKELVEQADLDFQGNVAELMITTEFELTGREREEVFLLMERNLEVMKASVQLGLNENKSRSGLTGGDAAKLDHYIENGKTLSDYTILSAARNAIAVNEHNAKMGLVCATPTAGSAGCLP----------------------SVLTAAIEKLDLSHEQQLDFLFAAG-AFGLVIANNASI--SGAEGGCQA---------EVGSASAMSAAALTLAAGGTPYQASQAIAFVIKNMLG-LICDPVAGLVE--VPCVKRNAMGASFA-FIAADMALAGIESKIPVDEVIDAMYQV--GASMP----TAFRETAEGGLATTPTG---RRLQKEIFGE------------------ 3WL8 Chain:A ((23-358)) VKWECPAGYEVKEGLNV-DFPHKGMKRAFIVYPAKNVSGP--APVWVPMTGSVE----STNDNLTVARS-----GANSILADH---------GYTVIAPVRACA--NQDPNIRGERCNGPGSNGWNWNPWFEGRAADPSGEHWKNDEGPDSSFFVAMVQCVGTKYKLDARRLFLGGIASGGTMTNRALLFRSNFWAGGLPISGEWYVTSDDGTPLSFDDARAAVAAAPTKIHQGRVGPYPLPAKVGPLIVMTVWGGEKDLWNCTRPDGSRFLCADYRPSTQAGSNFFSAQP--DVVHVACSSTHGHMWPQLNTQEFNRWALDTLASHPKGSDPRSFKLTQPPEGYTCHVGPFTGLYASAWS

General information: TITO was launched using: RESULT: Template: 3WL8.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 : 1608 12086 7.52 45.61 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 7.52 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.209

(partial model without unconserved sides chains): PDB file : Tito_3WL8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WL8-query.scw PDB file : Tito_Scwrl_3WL8.pdb: