Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------------------------------------------------------------------------MPKFLSIIR-IRKKAK---TFFVFA---PTKMFQLFSFFIPVFLIFRMTG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4R6H Chain:A ((28-421)) ADTAKKTLTIYSTMSTDSERDTFRKLAAAFEKEHSDIHVSLHFPGNDYENMMRVRMAANDLPDLFDTHGWGKIRYGEYTADLRDMKWTQDLDPNLNSILKNKSGKVYAYPINQAKDGLAYNRNILDRYGIAPPETMDDFIKALRTIKEKSKGSIVPFWFAGYDKSSFAQYYDQFATPLLI---TDPAHNEKKQLINGTFQWSKFTYLSEILKQMQKEKLINIDAVTAKKSQLIELMAQNKIAFTMQGGTLGQDVAQINPNVKVGIIPTPAIHPGDDPIWIGGERYTLAAWKDSPQLKEAKDFIAFMARPANAKQMAEATSLPSGLTNVKADIFYANDYEYYQDVKVEPYFDRLYLPNGMWDVLGTVGQELAADILAPQDISQKLGREYKRLREQSET

General information: TITO was launched using: RESULT: Template: 4R6H.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 : 68 -5811 -85.45 -145.26 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -85.45 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.336

(partial model without unconserved sides chains): PDB file : Tito_4R6H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R6H-query.scw PDB file : Tito_Scwrl_4R6H.pdb: