Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQTKKDQPKGNLAWWQLSLIGVGCTIGTGFF----LGSSIAIVKSGFSVLLSFLIAGIGTYFVFEQLAKLSAKQPEKGSFCAYARKAFGKWAGFSNGWVYWTSEMLITGSQLTAISLFTK----HWFP--QVPLWVFASIYAVLGLLIIFTGLSVFEKTENVLAVIKTAAIFMFIVIAILALCGILSGGNHGIHVPNKTSEFFPYGAMGLWTGLIYAFYAFGGIEVMGLMAVHLKKPEEASKSGKLMLATLAIIYIISIGLALLLV---PLHTFTE-QDSPFITSLKGY--NLEIILDIFNGIFIIAGFSTLVASLFAVTTLLCTMADDGDAPKCFTLK------EGKKICWPALGLTFAGLVLSIILSLVLPKNIYEHMTTAAGLMLLYTWLFILFSSKKLTDPEGMGKTQIYLAMVLIAAAVSGTLFEKSSRPGFFVSIGFLVIIAIVTMIYQKKQGHKDRPASP 3GI9 Chain:C ((8-375)) ------------LSLWEAVSMAVGVMIGASIFSIFGVGAKIA----GRNLPETFILSGIYALLVAYSYTKLGAKIVSNAGPIAFIHKAIG------DNIITGALSILLWMSYVISIALFAKGFAGYFLPLI-APINTFNIAITEIGIVAFFTALNFFGSK----AVGR--AEFFIVLVKLLILGLFIFAGLITIHPSYVIPDLAPSAVSGMIFASAIFFLSYMGFGVITNASEHIENPKK--NVPRAIFISILIVMFVYVGVAISAIGNLPIDELIKASENALAVAAKPFLGNLGFLLISIGALFSIS--SAMNATIYGGANVAYSLAKDGELPEFFERKVWFKSTEGLYIT-SALGVLFA-LLFNM-----------EGVASITSAVFMVIYLFVILSHYILIDEVG-GRKEI------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3GI9.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1755 -291648 -166.18 -845.36 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain C : 0.70 3D Compatibility (PKB) : -166.18 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.351

(partial model without unconserved sides chains): PDB file : Tito_3GI9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GI9-query.scw PDB file : Tito_Scwrl_3GI9.pdb: