Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGNTLFFISLSLIWVMLLYHMFLMQGGFRHYMTFERNIPKWRENMKELPKVSVLIPAHNEEVVIRQTLKAMVNLYYPKDRLEIIVVNDNSSDRTGDIVNEFSEKYDFIKMVITKPPNAGKGKSSALNSGFAESNGDVICVYDADNTPEKMAVYYLVLGLMNDEKAGAVVGKFRVINAAKTLLTRFINIETICFQ------------WMAQGGRWKW----------FKIATIP-----GTNFAIRRSIIEKLGGWDDKAL---AEDTELTIRVYNLGYHIRFFPAAITWEQEPETWKVWWRQRTRWARGNQYVVLKFLAQFFKLKRKRIIFDLFYFFFTYFLFFFGVIMSNAIFVVNLFYDLHLSVGFLAMILWILAFFLFMTEVMITLSIEKTEMNKQNFFIVFLMYFTYSQAWIVLVIYSLFVEIKHRLFKQEVKWYKTERYNQHKSG 2Z87 Chain:A ((94-347)) --------------------------------------------------LSIVIPTYNRAKILAITLACLCNQKTIYD-YEVIVADDGSKENIEEIVREF-ESLLNIKYVRQK--DYGYQLCAVRNLGLRAAKYNYVAILDCDMAPNPLWVQSYMELLAVDDNV-ALIGPRKYIDTSKHTYLDFLSQKSLINEIPEIITNNQVAGKVEQNKSVDWRIEHFKNTDNLRLCNTPFRFFSGGNVAFAKKWLFRAGWFDEEFTHWGGEDNEFGYRLYREGCYFRSVEGAMAYHQEP-------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2Z87.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 : 1133 -138394 -122.15 -665.36 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -122.15 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.266

(partial model without unconserved sides chains): PDB file : Tito_2Z87.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2Z87-query.scw PDB file : Tito_Scwrl_2Z87.pdb: