Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLQAVYLTPIELHQTPDWSDRPYNIHRDPLWKTEKQGKEFDDVWFYHCDHLGTPQEMTDHTGAIIWKAEYKAWGECKAEKAKSNFFENSEIISNNIRFQGQYFDEETGLHYN---------RYRYYSPYVGRFVSKDPIGLLGGSNNYAYAPSPTEWVDPLGLSCQKIPKGFKSFGQLKQFGQAMQAGFSKLGFKGATMYMQGSAHSGRSFETGKAFDDGRVSDFDIAVVQPELFEKAKKMGIAKGNRTLPIEINSVEANKLGINGVLQKMSKLAGGRDVNVMIFDSPESAKAKAEGTRIPANCM 3WKN Chain:G ((12-44)) ----------------------------------------------------------------------------------------------------GVYDPETGTWYDAAWHLGELVWATYYDPETGTW----------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3WKN.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 35 -1573 -44.94 -65.54 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain G : 0.54 3D Compatibility (PKB) : -44.94 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.385

(partial model without unconserved sides chains): PDB file : Tito_3WKN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WKN-query.scw PDB file : Tito_Scwrl_3WKN.pdb: