Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MKNKNIG------CWLLLAGSSSVCAM-----------QPLDDQSLAAATGQNGL-TLGI-QADQVKFNQVALIDTNGIASTSYNSKAGLIIAGNSTNPVPGIEFIKAAVSTNPSFNIAIDT-DAGGGNPFLNLAVTMGSDVNGIRLLPFSVYLAPSTSLPSPS-DYALTSYAPKSIFSSGTTVNTGVKELIRS---TGNLDINFVQTNKPRLNIQLGH----AAQSVMVKFGGAIQSICSAA-SGCPITLVSDNTGATFGF-KFAGTNASTGFVLDGFYAGVDPTGLTIGNIGVSSKFDA-SLNNVTLGNLGTQSTTTFNNLPNGSMGSFGVTGASVTDFKMKVSGF---------------------------- 1SQ9 Chain:A ((3-395)) KVFIATANAGKAHDADIFSVSACNSFTVSCSGDGYLKVWDNKLLDNENPKDKSYSHFVHKSGLHHVDVLQAIERDAFELCLVATTSFSGDLLFYRITRE-DETKKVIFEKLDLLDSDMKKHSFWALKWGASNSHRLVATDVKGTTYIWKFHPFADESNSLTLNWSPTLELQGTVESPMTPSQFATSVDISERGLIATGFNNGTVQISELSTLRPLYNFESQHNNSNSIRSVKFSPQGSLLAIAHDSNSFGCITLYETEFGERIGSLSVPGEFAHSSWVMSLSFNDSGETLCSAGWDGKLRFWDVKTKERITTLNMHCDDIEIEEDILAVDEHGDSLAEPGVFDVKFLKKGWRSGMGADLNESLCCVCLDRSIRWFREAG

General information: TITO was launched using: RESULT: Template: 1SQ9.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 : 1775 50165 28.26 158.75 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 28.26 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.136

(partial model without unconserved sides chains): PDB file : Tito_1SQ9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SQ9-query.scw PDB file : Tito_Scwrl_1SQ9.pdb: