Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVLKPGLLTTVQDIGRTGYQKYGVLASGAMDTVSLRIANLLIGNGENEAGLEITMMGPGPSFHFSKQTLIAVTGADFTLRINDEEAPLWKPVLIKENSTVSFGPCKLGSRAYLAAAGGIEVPAVMESKSTYVRGSIGGLHGRALQKEDELNIGEMSALSQTILSRLSSQLGKQGFAAPKWSVSRGRFLPLKKNPVIRVLEGKQFAFFTEESKTRFYEEAFRVTPQSDRMGYRLKGEPLELKAPLEMVSEAVSFGTVQVPPDGNPIILLADRQTTGGYPRIAHIISADLPIVSQIMPGEHVQFEPVSLQEAEALAVEREQHIKELKTRMKMEWLT 3ORE Chain:A ((223-491)) LLVEEPGLMDLVVDGGRFLGGHLGLARSGPLDAPSARLANRLVGNGAGAPLLEFAYKGP--VLTALRDLVAAFAGYGFVALLEGEEIPPGQSFLWPRGKTLRFRPRGPGVRGYLAVAGGLEVRPFLGSASPDLRGRIG----RPLWAGDVLGLEALRPV-------------RPGRAFPQR--------PLPEAFRLRLLPGPQ------EAFRALCSGPFRVA-RADRVGVELLGPEVPGG---EGLSEPTPLGGVQVPPSGRPLVLLADKGSLGGYAKPALVDPRDLWLLGQARPGVEIHF--------------------------------

General information: TITO was launched using: RESULT: Template: 3ORE.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 : 1623 -110910 -68.34 -416.95 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -68.34 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.428

(partial model without unconserved sides chains): PDB file : Tito_3ORE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ORE-query.scw PDB file : Tito_Scwrl_3ORE.pdb: