Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLLKRQILRRRRHFMIFNQDEIYVIAEIGVNHNGSVDLAKELILKAKDCGANAVKFQTFKADSLLSDQTEMAAYQKENTGSSQSQLELVKSLELTYEQTEEIKKFCDEQKITFISTPFDSDSLKFLVNEIDVPYLKVSSADISNLPFLYEIACSKKHVILSTGTASLGDIEQALSVFAFVIDKGTEVQPSQQLFREAYSKISVRKQLKQQVSILHCVTQYPALFEESNLKAISTLKNVF-DLATGFSDHTLDEYAAVISVSLGARIFEKHITLDKTMAGPDHAASMEPNEFKHYVEILHKTHAALGDGIKFMLEQESDNYYLVRRSIVAKTDIAEGELLTADNITTKRAGRVCLEPNKYWDVIGTKAKRSFKKNDFIEI 2WQP Chain:A ((12-344)) --------------RSVGYNHEPLIICEIGINHEGSLKTAFEMVDAAYNAGAEVVKHQTHIVEDEMSDEAKQVIPGN----ADVSIYEIMERCALNEEDEIKLKEYVESKGMIFISTLFSRAAALRLQ-RMDIPAYKIGSGECNNYPLIKLVASFGKPIILSTGMNSIESIKKSVEIIR-----------------EAG----------VPYALLHCTNIYPTPYEDVRLGGMNDLSEAFPDAIIGLSDHTLDNYACLGAVALGGSILERHFTDRMDRPGPDIVCSMNPDTFKELKQGAHALKLARGGKKDTIIAGEKPTKDFAFASVVADKDIKKGELLSGDNLWVKRPGNGDFSVNEYETLFGKVAACNIRKGAQIK-

General information: TITO was launched using: RESULT: Template: 2WQP.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 : 1696 -115194 -67.92 -346.97 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -67.92 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.452

(partial model without unconserved sides chains): PDB file : Tito_2WQP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WQP-query.scw PDB file : Tito_Scwrl_2WQP.pdb: