Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSGVIPSSAVGQKINEWYRYIRTFSVPDAEVLKAEIQQELKHMQHDSNLLLYYSLMEFRHQLMLDYLEPLEKLNIEDQPSLSELSRNIDSNQADLKGLLDYYVNFFRGMYEFDKREFISAITYYKQAEKKLSFVADHIERAEFYFKIAEAYYYMKQTYFSLINIKNAYEIYVEQETYNVRIIQCHFVFGVNLMDERNFEQAARHFKLALNMAQAEQKAQLVGRAYYNLGLCYYNQDLLDPAIDYFEKAVSTFESSRIVNSLPQAYFLITLIYYKQGKHDKASEYHKRGYEYAKETDDADYAVKFEFLQSLYLDQPNEEGIERCFQYLKNKNMYADIEDLALEVAKYYYEQKWFKLSASYFLQVEEARKQIQRSEGLYEIEI 4GYO Chain:B ((7-367)) -------SEEVAVKLNEWYKLIRAFEADQAEALKQEIEYDLEDMEENQDLLLYFSLMEFRHRIMLDKLMPVK--------PFSDMLNEIESNQQKLTGLLEYYFYYFRGMYEFKQKNFILAIDHYKHAEEKLEYVEDEIEKAEFLFKVAEVYYHIKQTYFSMNYASQALDIYTKYELYGRRRVQCEFIIAGNLTDVYHHEKALTHLCSALEHARQLEEAYMIAAAYYNVGHCKYSLGDYKEAEGYFKTAAAIFEEHNFQQAV-QAVFSLTHIYCKEGKYDKAVEAYDRGIKSAAEWEDDMYLTKFRLIHELYLGSGDLNVLTECFDLLESRQLLADAEDLLHDTAERFNQLEHYESAAFFYRRLMNIKKKL-----------

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 B - contact count / total energy / energy per contact / energy per residue : 1595 -193882 -121.56 -546.15 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -121.56 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.545

(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: