Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVIVLGSGVIGVASAYYLARQGAEVTVLDRQSGPAEETSFGNAGQISPGYSTPWAAPGIPFKAVKWMFQHHAPLAINLDGSMWQLQWMAQMLKNCNPQSYAVNKERMMRVAEYSRDCLRE----LRKDTGIHYENRAKGTLQLFRKEAQMEAVQRDISVLEECGVSYELLNGNELGRVEPALANAQDKLVGGLHLPNDETGDCYLFTNALAQIAKELGVNFQFNQNVEKLIVEGDQIKGVQVNGKVLTADRYVLAFGSYSRDFLKPLDLQLPVYPVKGYSLTIPIVAPAFAPQSTVLDETYKIAITR-FDQRIRVGGMAELSGFNLGLNEDRHATLQMVTQDLFP-GGDMEQASFWTGLRPMTPDSTPIIGATR-FKNLFLNTGHGTLGWTMACGSGKLISDIVLNHKTDISTDGLSIQRYSHAHAA 4YSH Chain:A ((5-371)) YDVAIVGGGVIGAAIGFELAKRRHRVAIFEKGT-MGSGASSAAAGMLGAQSEFSTS--S-----------------------------------------------PLVPLALQSRALMPALAEELRERTGIDIGLVEKGLIKLATTEEEADDLYRHYTFWRGIGEPVQWLTKGEALEMEPRLA---EALAGAMYIPGDGQVSAPDLAAALAYAAASAGACLYEYTEVFDIRSDSSGH-VLDTTGGTFAAEAVVIASGAWAARLGARVGLSLSVYPVKGECVMVRAPVP-LLQTT-VFAK-NGCYIVPKSGNRLLIGATSTPGTFDRRVSAGGVMNLLHRAAHLVPDIEQAEWVASWSGIRPQTEDGLPYLGEHPERRGLFVAAGHYRNGILLSPLTGLLVADLVERKETAFDLAPFSLTRHIG----

General information: TITO was launched using: RESULT: Template: 4YSH.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 : 2283 -48982 -21.46 -136.06 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -21.46 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.458

(partial model without unconserved sides chains): PDB file : Tito_4YSH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YSH-query.scw PDB file : Tito_Scwrl_4YSH.pdb: