Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNGMELSKRTKRLEPSVTLAAAAKAKALKAKGRDVLSLTVGEPDFATPENIQEAAIEAIRNGKASYYTPTAGIPELRQAIVDYLKKNYGLVYEPSQTVVTDGAKFALYTLFQTILDPQDEVIIPVPYWVSYGEQVKLAEGLPVFVKGEESNSWKVTVEQLEQARSEKTKAVIINSPSNPTGMIYSKNELQAIGEWAVKNDILIVADDIYGRLVYNGNEFTPIATISEAIKNQTIIINGVSKTYAMTGWRIGYAVGNPVIINGMIAVASQSTSNPTAVSQYAAVEALKGEQDT---VEEMRNAFEERLNTLYPLVAELPGVSLEKPQGAFYLF----PNVKETLRMCKYENVTQWVEDLLEETGVALVTGEGFGAPENVRMSYATDRATLEEAVRRIKQFIESKSQN 1BKG Chain:A ((4-382)) -----LSRRVQAMKPSATVAVNAKALELRRQGVDLVALTAGEPDFDTPEHVKEAARRALAQGK-TKYAPPAGIPELREALAEKFRRENGLSVTPEETIVTVGGKQALFNLFQAILDPGDEVIVLSPYWVSYPEMVRFAGGVVVEVETLPEEGFVPDPERVRRAITPRTKALVVNSPNNPTGAVYPKEVLEALARLAVEHDFYLVSDEIYEHLLYEGEHFSPGRVAPE----HTLTVNGAAKAFAMTGWRIGYACGPKEVIKAMASVSSQSTTSPDTIAQWATLEALTNQEASRAFVEMAREAYRRRRDLLLEGLTAL-GLKAVRPSGAFYVLMDTSPIAPDEVRAA---------ERLL-EAGVAVVPGTDFAAFGHVRLSYATSEENLRKALERFARVL------

General information: TITO was launched using: RESULT: Template: 1BKG.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 : 2168 -126408 -58.31 -339.81 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -58.31 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.623

(partial model without unconserved sides chains): PDB file : Tito_1BKG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BKG-query.scw PDB file : Tito_Scwrl_1BKG.pdb: