Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTSLRLNHYWITCADGLETLLQEEIEQLGTKVTERKAGRLIIEGTLEHAYRICMWSRLASRVLLPIHTYELERTHDARDVAEELYEGAISFDWSLIFAPQSTFAIRLHAEREIKVNTQFATLRVKDGVVDSFMEAVGRRPSIDTKQPEITLYVLAGKTEHTYCLDLSGDSLHKRGYRRFMTDAPIKENLAAAILQKAKLQERNPEI-VLDPMCGSGTFIIEALMILTDRAPGLVRRFGFNGWHGHDRELWLSLKAEAAERHEKALEQPLPKFYAYDADWEAVKATRENIIAAGFEKLLGDIQIEERTLADWPDFGAENKTAFIVTNPPYGERLGDKASNRSLY-------LGL-------------SALLQKNFPNQYAAIIAAQIEQADVLAFEAPETLRLMNGKLPIYVRFGTVKLEKVTQPFLANWQAQPVEMEEAQDFANRLQKNMTALKKWATKENIYCLRLYDADLPDFNLAVDLYSDRLHVQEYAPPKKIDPEKAKKRFNLALAAIRAVTGLNRDAIFIKTRARQTGTNQYTKQSTANKRFIVQEGKAKILVNLTDYLDTGLFLDHRQMRLRIAQEARGKHFLNLYSYTSTASLHAALGGAASTTSVDLSNTYLSWSKENFVLNGLTVDHADEQHMFFASDCFEWLKEGHEQYDLIFIDPPTFSNSKKFHGTFDVQRDHVSLIKRAMNRLTSEGTLYFSNNYRGFEMDEEIEALYDVEEITSETIGPDFKRNQKIHRAWKIQHPGLN 3TMA Chain:A ((89-344)) -------------------------------------------------------------------------------DPLGALERAALALPWPEL---EGAGSFRVEARRE--GEHPFTSPEVERRVGEALHRAYGV--PVDLKRPAVRVRVDVRGEEAFLGVQLTERPLSRR-FPKAALRGSLTPVLAQALL---RLADARPGMRVLDPFTGSGTIALEAASTLGPTSP----------------------------------------VYAGDLDEKRLGLAREAALASGL-SWIRFLRADARHL---PRFFPEVDR--ILANPPHGL----KEGLFHLYWDFLRGALALLPPGGRVALLTLRPALLKRALPPGFALRHARVVEQGGV---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TMA.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 : 1091 -72812 -66.74 -315.20 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -66.74 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.399

(partial model without unconserved sides chains): PDB file : Tito_3TMA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TMA-query.scw PDB file : Tito_Scwrl_3TMA.pdb: