Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLLKRQILRRRRHFMIFNQDEIYVIAEIGVNHNGSVDLAKELILKAKDCGANAVKFQTFKADSLLSDQTEMAAYQKENTGSSQSQLELVKSLELTYEQTEEIKKFCDEQKITFISTPFDSDSLKFLVNEIDVPYLKVSSADISNLPFLYEIACSKKHVILSTG-TASLGDIEQALSVFAFVIDKGTEVQPSQQLFREAYSKISVRKQLKQQVSILHCVTQYPA----LFEESNLKAISTLKNVFDLATGF-SDHTLDEY-----AAVISVSLGAR--IFEKHITLDKTMAGPDHAASMEPNEFKHYVEILHKTHAALGDGIKFMLEQESDNYYLVRRSIVAKTDIAEGELLTADNITTKRAGRVCLEPNKYWDVIGTKAKRSFKKNDFIEI 3PG9 Chain:B ((87-336)) -------------DVKIGNG-YFTIIA--GPCSVEGREMLMETAHFLSELGVKVLRGGAYKPRTS--------PYS---------------FQGLGEKGLEYLREAADKYGMYVVTEALGEDDLPKVA-EY-ADIIQIGARNAQNFRLLSKAGSYNKPVLLKRGFMNTIEEFLLSAEYIA-----------------NSG---------NTKIIL--CERGIRTFEKATRNTLDISAVPIIRKESHLPILVDPSHSGGRRDLVIPLSRAAIAVGAHGIIVEVHPEPEKAL--SDGKQSLDFELFKELVQEMKKLADALGVK-----------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3PG9.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 : 1361 -56861 -41.78 -239.92 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -41.78 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.374

(partial model without unconserved sides chains): PDB file : Tito_3PG9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PG9-query.scw PDB file : Tito_Scwrl_3PG9.pdb: