Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSICIFCGSSLGSNPIFQQIAQLTGEAIAKQGKTLVYGGGRSGLMGVVADSALQAGGQVIGVIPRALVDRELAHPGLTKLYVVENMHERKTKMADLSDGFIALPGGAGTLEEIFEQWIWAQLGIHQKPCAFLNVAGFYEDLLKMIQGTVDNGFSQARFVDKLIASDKIEDILQQFEQYQAPAPKWTNADVQP 3QUA Chain:B ((24-194)) --AVCVYCASG-PTHPELLELAAEVGSSIAARGWTLVSGGGNVSAMGAVAQAARAKGGHTVGVIPKALVHRELADVDAAELIVTDTMRERKREMEHRSDAFIALPGGIGTLEEFFEAWTAGYLGMHDKPLILLDPFGHYDGLLTWLRGLVPTGYVSQRAMDSLVVVDNVEAALE-------------------

General information: TITO was launched using: RESULT: Template: 3QUA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 886 -131958 -148.94 -771.68 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -148.94 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.540

(partial model without unconserved sides chains): PDB file : Tito_3QUA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QUA-query.scw PDB file : Tito_Scwrl_3QUA.pdb: