Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSGVIPSSAVGQKINEWYRYIRTFSVPDAEVLKAEIQQELKHMQHDSNLLLYYSLMEFRHQLMLDYLEPLEKLNIEDQPSLSELSRNIDSNQADLKGLLDYYVNFFRGMYEFDKREFISAITYYKQAEKKLSFVADH-IERAEFYFKIAEAYYYMKQTYFSLINIKNAYEIYVEQETYNVRIIQCHFVFGVNLMDERNFEQAARHFKLALNMAQAEQKAQLVGRAYYNLGLCYYNQDLLDPAIDYFEKAVSTFESSRIVNSLPQAYFLITLIYYKQGKHDKASEYHKRGYEYAKETDDADYAVKFEFLQSLYLDQPNEEGIERCFQYLKNKNMYADIEDLALEVAKYYYEQKWFKLSASYFLQVEEARKQIQRSEGLYEIEI 4GYO Chain:A ((82-322)) --------------------------------MLNEIESN-----LTGLLEYYFYYFRGMYEFKQKNFILAIDHY-K------HA-EEKLEY--VEDEIEKAEFLFKVAEVYYHIKQTYFSMNYASQALDIYTKYELYGRRRVQCEFIIAGNLTDVYHHEKALTHLCSALEHARQL-EEAYMIAAAYYNVGHCKYSLGDYKEAEGYFKTAAAIFEEHNFQ-QAVQAVFSLTHIYCKEGKYDKAVEAYDRGIKSAAEWEDDMY-LTKFRLIHELYLGSGDLNVLTECFD-----------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4GYO.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 : 1032 -110168 -106.75 -464.84 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -106.75 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.463

(partial model without unconserved sides chains): PDB file : Tito_4GYO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GYO-query.scw PDB file : Tito_Scwrl_4GYO.pdb: