Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MINLVKPLLPGSTIGIVGGGQLGRMMAISAKEMGFKVGVLDPVSDCPAAQVADWHIESVYDDTFALKELARRTDVITYEFENVSVEALNAILPMSFIPQGTDLLAITQDRLLEKSFLETNNIVIAPYATIVSPTDIQDAIDGIGYPCVLKTTRGGYDGKGQYVLKSRADLAPAMDLLREGTCVLEAWIPFEKEISIMVAGNGQGDFTTFPVVENIHHNNILHETIAPAAIDQDVIEEAERIARVIAEAVSLSGVLGVEMFLTKTGGLYVNELAPRPHNSGHYSIEACSMSQFDAHIRGICGWPLGEKVRLISNAVMVNVLGEQLLESYRLIENK----PDWQFHFYGKKQAKKGRKMGHITILTEDIQQTLEEIKQTNIWD 3ORR Chain:A ((9-362)) ----------GATIGIIGGGQLGKMMAQSAQKMGYKVVVLDPSEDCPCRYVAHEFIQAKYDDEKALNQLGQKCDVITYEFENISAQQLKLLCEKYNIPQGYQAIQLLQDRLTEKETLKSAGTKVVPFISVKESTDIDKAIETLGYPFIVKTRFG-----GQVLINNEKDLQEGFKLIETSECVAEKYLNIKKEVSLTVTRGNNNQITFFPLQENEHRNQILFKTIVPARIDK-TAEAKEQVNKII-QSIHFIGTFTVEFFIDSNNQLYVNEIAPRPHNSGHYSIEACDYSQFDTHILAVTGQSLPNSIELLKPAVMMNLLGKDL----DLLENEFNEHPEWHLHIYGKSERKDSRKMGHMTVLTNDVNQT-----------

General information: TITO was launched using: RESULT: Template: 3ORR.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 : 1962 -170772 -87.04 -494.99 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -87.04 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.552

(partial model without unconserved sides chains): PDB file : Tito_3ORR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ORR-query.scw PDB file : Tito_Scwrl_3ORR.pdb: