Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGLFDRLFGKKEEPKIEEVVKEALENLDLSEDVDPTFTEVEEVSQEEAEVEIVEQAVFQEEEIQDTVEESLDLEPVVEVSQKEVEEFPHSEEGNTEFLETIEENNSEVLEPERPQAEETVQEKYDRSLKKTRTGFGARLNAFFANFRSVDEEFFEELEELLIMSDVGVQVASNLTEELRYEAKLENAKKPDALRRVIIEKLVELYEKDGSYDESIHFQDNLTVMLFVGVNGVGKTTSIGKLAHRYKQAGKKVMLVAADTFRAGAVAQLAEWGRRVDVPVVTGPEKADPASVVFDGMERAVAEGIDILMIDTAGRLQNKDNLMAELEKIGRIIKRVVPEAPHETFLALDASTGQNALVQAKEFSKITPLTGIVLTKIDGTARGGVVLAIREELNIPVKLIGFGEKIDDIGEFNSENFMKGLLEGLI 2NG1 Chain:A ((30-286)) ---------------------------------------------------------------------------------------------------------------------------------------------------------LREIRRALMDADVNLEVTRDFVERVREEALGKQVLESLTPAEVILATVYEALKEALGGEARLPVLKDRNLWFLVGLQGSGKTTTAAKLALYYKGKGRRPLLVAADTQRPAAREQLRLLGEKVGVPVLEVMDGESPESIRRRVEEKARLEARDLILVDTAGRLQIDEPLMGELARLKEVL------GPDEVLLVLDAMTGQEALSVARAFDEKVGVTGLVLTKLDGDARGGAALSARHVTGKPIYFAGVSEKPEGLEPFYPERL---------

General information: TITO was launched using: RESULT: Template: 2NG1.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 : 1341 -133636 -99.65 -519.98 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -99.65 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.531

(partial model without unconserved sides chains): PDB file : Tito_2NG1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NG1-query.scw PDB file : Tito_Scwrl_2NG1.pdb: