Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTIDHSVTNTEQLEQQNPAIKTKLKLKKLKDQVIVITGASSGIGLVTARMAAEKGAKVVAAARNEEALKELTDELKEKGHDAIWVKADVGKEEDVNRIAETAISTFGRFDTWVNNAAVSTFGHAMDVTVEDMKRMFDTNFWGPVYGTRAAVKHYTGRGVPGALINVGSLFGDRGTVIQSTYASAKFALHGWTESIRMELEKEQAPVSVTLIHPGRIDTPYNEHAHSY------L-D-------KQPAHYRSMIYPPEAVAEAILFAAEHPKRDMYIGSQAKAIAMLGALFPRLTDRLMEKIMYHSQHAERPSNPREESALYDAGCGMHDRGTNKGWMRSRSYYTKATKRPIVSAAVVAGLVAWAAAKRCR 3WDS Chain:A ((7-245)) -------------------------IFDLSGRKAIVTGGSKGIGAAIARALDKAGATVAIADLDVMAAQAVVAGLE---NGGFAVEVDVTKRASVDAAMQKAIDALGGFDLLCANAGVSTMRPAVDITDEEWDFNFDVNARGVFLANQIACRHFLASNTKGVIVNTASLAAKVGAPLLAHYSASKFAVFGWTQALAREMA--PKNIRVNCVCPGFVKTAMQEREIIWEAELRGMTPEAVRAEYVSLTPL-GRIEEPEDVADVVVFLASDA----------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3WDS.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 : 1217 -101456 -83.37 -450.92 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -83.37 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.587

(partial model without unconserved sides chains): PDB file : Tito_3WDS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WDS-query.scw PDB file : Tito_Scwrl_3WDS.pdb: