Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYEGLEDLKVDTVNRKTLAKQVIERIVHLLSSGQLRAGDKLPTEMELMDILHVSRPVLREALSSLETLGVITRKTRGGTYFNDKIGMQP-----FSVMLALATDNLPA--IIEARMALELGLVTI--AAEKINEEELQRLQKTIDDIANSTDNHYGEADKEFHRIIALSANNPVVEGMIQSLLITHAKIDSQIPYRERDVTVEYHKKIYDALAKRDPYKAHYHMYEHLKFVRDKILKGMDEK 2DI3 Chain:B ((7-172)) -------------------ESVMDWVTEELRSGRLKIGDHLPSERALSETLGVSRSSLREALRVLEALGTISTATGSGPRSGTIITAAPGQALSLSVTLQLVTNQVGHHDIYETRQLLE-GWAALHSSAERGDWDVAEALLEKMDDPSLPLED-FLRFDAEFHVVISKGAENPLISTLMEALRLSVA-------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2DI3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 463 -53986 -116.60 -343.86 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -116.60 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.387

(partial model without unconserved sides chains): PDB file : Tito_2DI3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DI3-query.scw PDB file : Tito_Scwrl_2DI3.pdb: