Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSMHSDQINPDSNENQDPNNLIDQFFSSKGVTIPSDFKSGFVAIVGRPNVGKSTLMNHLLGQKLSITSRKPQTTRHKIIGIDSREKMQAVYVDTPGMHKKEVRAINKMMNRAAHSALRDVNLVLFVIDAHKWTQNDDLVLDKLKNADMPVILVINKADTFGDKREILPLIQERAKLMNFAEIVPVSALRGANLEHLSETIEKYLPYQPPLYSFDQITDRSERFLASEIIREKIMRQLGEELPYDLTVQIESFKTEEATVNEKTGRLKPACTYIDATIFVDRPGQKAIVIGEKGAKLKTIGMDARKDMEKMFEQKIMLTLWVKVKGGWSDDERALKSLGYSDI 3IEU Chain:A ((8-296)) --------------------------------------CGFIAIVGRPNVGKSTLLNKLLGQKISITSRKAQTTRHRIVGIHTEGAYQAIYVDTPGLHMEEKRAINRLMNKAASSSIGDVELVIFVVEGTRWTPDDEMVLNKLREGKAPVILAVNKVDNVQEKADLLPHLQFLASQMNFLDIVPISAETGLNVDTIAAIVRKHLPEATHHFPEDYITDRSQRFMASEIIREKLMRFLGAELPYSVTVEIERFVS-----NERGG------YDINGLILVEREGQKKMVIGNKGAKIKTIGIEARKDMQEMFEAPVHLELWVKVKSGWADDERALRSLG----

General information: TITO was launched using: RESULT: Template: 3IEU.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 : 1325 -180368 -136.13 -624.11 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -136.13 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.598

(partial model without unconserved sides chains): PDB file : Tito_3IEU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IEU-query.scw PDB file : Tito_Scwrl_3IEU.pdb: