Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKIIHIDMDAFYASVELRERPDLRHLPVVISSHH------------------------------PRAVIAAASYPAREFGLRSAMSMSQARKLCPQVVIIEPNFEKYRAISAQIHSIFQQYTTLIEPLSLDEAYLDVTENLKQIA-SATEVAMHIREDIFRQTGLTASAGVAPNKFLAKVASDWNKPNGLFVIKPSQVASFIQDLPLKKIPGVGKVTQEKLQQLELHTLGDLQKIEEAVLVHHFGK-YGQQLYLYAQGIDNRPVQAERARQQISKETTFDSDFT-LAQCQSYWHGLAEKVWQSLEKKQLNARGVNIKLKLKNF---------------QTLQHSKSFKNPIHSQQDLIQVLFLLLNEMHIPENFQFRLIGVLGFINYKLKLTTFSCLYGECCFFIQKNKF 3GQC Chain:D ((417-827)) -SCIMHVDMDCFFVSVGIRNRPDLKGKPVAVTSNRGTGRAPLRPGANPQLEWQYYQNANGIDSVLSRAEIASCSYEARQLGIKNGMFFGHAKQLCPNLQAVPYDFHAYKEVAQTLYETLASYTHNIEAVSCDEALVDITEILAETKLTPDEFANAVRMEIKDQTKCAASVGIGSNILLARMATRKAKPDGQYHLKPEEVDDFIRGQLVTNLPGVGHSMESKLASLGIKTCGDLQYMTMAKLQKEFGPKTGQMLYRFCRGLDDRPVRTEKERKSVSAEINYGIRFTQPKEAEAFLLSLSEEIQRRLEATGMKGKRLTLKIMVRKPGAPVETAKFGGHGICDNIARTVTLDQATDNAKIIGKAMLNMFHT-MKLNISDMRGVGIHVNQLVPT---------------------

General information: TITO was launched using: RESULT: Template: 3GQC.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1471 537 0.37 1.58 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain D : 0.74 3D Compatibility (PKB) : 0.37 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.446

(partial model without unconserved sides chains): PDB file : Tito_3GQC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GQC-query.scw PDB file : Tito_Scwrl_3GQC.pdb: