Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIQQALNHITKNIHLTQPQMEEIMRSIMQGEATEAQIGALMMGLRMKGESIDEMTAAARVMREFAIKIDVSDIKH-LVDIVGTGGDGQNLFNVSTASSFVIAAAGATIAKHGNRGVSSKSGSSDLLEQAGIHLDLDMQQTERCIREMGVGFLFAPNHHKAMKYAAGPRRELGIRSIFNLLGPLTNPAGVKRFVIGV-FSDELCRPIAEVMKQLGAEH---VMVVHSKDGLDEISLAAPTTIAELKDGEITEWTLNPEDVGIESQTLNGLVVADATASLKLIKDALSKNKSDIGEKAANMIALNAGAGIYVAGITKTYAQAVVFAQDIIYGGQTLEKMSVLAEFTKTLKQSQAD 3QQS Chain:B ((25-292)) -SWPQILGRLTDNRDLARGQAAWAMDQIMTGNARPAQIAAFAVAMTMKAPTADEVGELAGVMLSHAHPLPADTVPDDAVDVVGTGGDGVNTVNLSTMAAIVVAAAGVPVVKHGNRAASSLSGGADTLEALGVRIDLGPDLVARSLAEVGIGFCFAPRFHPSYRHAAAVRREIGVPTVFNLLGPLTNPARPRAGLIGCAFAD-----LAEVMAGVFAARRSSVLVVHGDDGLDELTTTTTSTIWRVAAGSVDKLTFDPAGFGFARAQLDQLAGGD--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3QQS.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 : 1463 -49716 -33.98 -189.03 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -33.98 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.394

(partial model without unconserved sides chains): PDB file : Tito_3QQS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QQS-query.scw PDB file : Tito_Scwrl_3QQS.pdb: