Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHTVTQTSLYGKDLLTLKDLSEEDINALLAEAGELKQNK--------IQPIFHGKTLAMIFEKSSTRTRVSFEAGMAQLGGSALFLSQKDLQLGRGETVADTAKVLSGYVDAIMIRTFEHEKVEELAKEADIPVINGLTDKYHPCQALADLLTIKEIKG-----KLKGVKVAYIGD-GNNVAHSLMIGCAKMGCDISIASPKGYEVLDEAAEAAKTYA--LQSGSSVTLTDDPIEAVKDADVIYSDVFTSMGQEAEEQERLAVFAPYQVNAALVSH--AKPDYTFLHCLPAHREEEVTAEIIDGPNSAVFQQAENRLHVQKALLKAILYKGESSKNC 3SDS Chain:A ((22-351)) ---------TPRHLLSIADLTPTEFATLVRNASSYKKTIKSDSMPERLTGALSGKTVAMMFSKRSTRTRVSTEGAVVKMGGHPMFLGKDDI--GVNESLYDTSVVISSMVSCIVARVGPHSDIANLAKHSSVPVINALCDTFHPLQAIADFLTIHESFAHPSSLGLEGLKIAWVGDAN-NVLFDLAIAATKMGVNVAVATPRGYEIPSHIVELIQKAREGVQSPGNLTQTTVPEVAVKDADVIVTDTW--------KIKRLEAFKDFKVTSELAKRGGAKENWKFMHCLPRHP-EEVSDEVFYSERSLVFPEAENRLWAAISALEAFVVNKGK----

General information: TITO was launched using: RESULT: Template: 3SDS.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 : 1572 -184790 -117.55 -628.54 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -117.55 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.603

(partial model without unconserved sides chains): PDB file : Tito_3SDS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SDS-query.scw PDB file : Tito_Scwrl_3SDS.pdb: