Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKAARWHNQKDIRIEHIEEPKTEPGKVKIKVKWCGICGSDLHEYLGGPIFIPVDKPHPLTNETAPVTMGHEFSGEVVEVGEGVENYKVGDRVVVEPIFA--------THGHQGAYNLDEQMG----------------------FLGLAGGGGGFSEYVSVDEELLFKLPDELSYEQGALVEPSAVALY--AVRSSKLKAGDKAAVFGCGPIGLLVIEALKAAGATDIYAVELSPERQQKAEELGAI-IVDPSKTDDVVAEI-AERTGGGVDVAFEVTG-VPVVLRQAIQSTTIAGETVIVSIWEKGAEIHPND-IVIKERTVKGII--GY--RDIFPAVLSLMKEGYFSADKLVTKKIVLDDLIEEGFGALIKEKSQVKILVRPN 1U3W Chain:A ((12-372)) --AVLWELKKPFSIEEVEVAPPKAHEVRIKMVAAGICRSDEH-VVSGNLVTPL-----------PVILGHEAAGIVESVGEGVTTVKPGDKVI--PLFTPQCGKCRICKNPESNYCLKNDLGNPRGTLQDGTRRFTCSGKPIHHFVGVST----FSQYTVVDENAVAKIDAASPLEKVCLIGCGFSTGYGSAVKVAKVTPGSTCAVFGLGGVGLSVVMGCKAAGAARIIAVDINKDKFAKAKELGATECINPQDYKKPIQEVLKEMTDGGVDFSFEVIGQLDTMMASLLCCHEACGTSVIVGVPPDSQNLSINPMLLLTGRTWKGAIFGGFKSKESVPKLVADFMAKKFSLDALITNVLPFEK-INEGFDLLRSGKSIRTVL----

General information: TITO was launched using: RESULT: Template: 1U3W.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 : 1937 -226513 -116.94 -705.65 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -116.94 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.433

(partial model without unconserved sides chains): PDB file : Tito_1U3W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1U3W-query.scw PDB file : Tito_Scwrl_1U3W.pdb: