Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVIVLGSGVIGVASAYYLARQGAEVTVLDRQSGPAEETSFGNAGQISPGYSTPWAAPGIPFKAVKWMFQHHAPLAINLDGSMWQLQWMAQMLKNCNPQSYAVNKERMMRVAEYSRDCLRELRKD----TGIHYENRAKGTLQLFRKEAQMEAVQRDISVLEECGVSYELLNGNELGRVEPALANAQDKLVGGLHLPNDETGDCYLFTNALAQIAKELGVNFQFNQNVEKLIVEGDQIKGVQVNGKVLTADRYVLAFGSYSRDFLKPLDLQLPVYPVKGYSLTIPIVAPAFAPQSTVLDETYKIAITR-FDQRIRVGGMAELSGFNLGLNEDRHATLQMVTQDLFP-GGDMEQASFWTGLRPMTPDSTPIIGATR-FKNLFLNTGHGTLGWTMACGSGKLISDIVLNHKTD-ISTDGLSIQRYSHAHAA 1RYI Chain:C ((18-377)) YEAVVIGGGIIGSAIAYYLAKENKNTALFESGT-MGGRTTSAAAGMLGAHAECEER----------------D---------------------------------AFFDFAMHSQRLYKGLGEELYALSGVDIRQHNGGMFKLAFSEEDVLQLRQMD----DL-DSVSWYSKEEVLEKEPYAS---GDIFGASFIQDDVHVEPYFVCKAYVKAAKMLGAEIFEHTPVLHVERDGE-ALFIKTPSGDVWANHVVVASGVWSGMFFKQLGLNNAFLPVKGECLSVWNDD---IPLTKTLYHD-HCYIVPRKSGRLVVGATMKPGDWSETPDLGGLESVMKKAKTMLPAIQNMKVDRFWAGLRPGTKDGKPYIGRHPEDSRILFAAGHFRNGILLAPATGALISDLIMNKEVNQDWLHAFRIDRK------

General information: TITO was launched using: RESULT: Template: 1RYI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2106 -6615 -3.14 -18.79 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain C : 0.70 3D Compatibility (PKB) : -3.14 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.445

(partial model without unconserved sides chains): PDB file : Tito_1RYI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1RYI-query.scw PDB file : Tito_Scwrl_1RYI.pdb: