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

General information: TITO was launched using: RESULT: Template: 3OEP.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 : 1663 -112673 -67.75 -418.86 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -67.75 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.408

(partial model without unconserved sides chains): PDB file : Tito_3OEP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OEP-query.scw PDB file : Tito_Scwrl_3OEP.pdb: