Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQTKKDQPKGNLAWWQLSLIGVGCTIGTGFFLGSSIAIVKSGFSVLLSFLIAGIG-TYFVFEQLAKLSAKQP-EKGSFCAYARKAFGKWAGFSNGWVYWTSEMLITG---SQLTAISLFTKHWFPQV-----PLWVFASIYAVLGLLIIFTGLSVFEKTENVLAVIKTAAIFMFIVIAILALCGILSGGNHGIHVPNKTSEFFP-YGAMGLWTGLIYAFYAFGGIEVMGLMAVHLKKPEEASKSGKLM-LATLAIIYIISIGLALLLVPLHTFTEQ---DSPFITSLKGYNL--EIILDIFNGIFIIAGFSTLVASLFAVTTLLCTMADDGDAPKCFTLKEGKKICWPALGLTFAGLVLSIILSLV-LPKNIYEHMT--TAAGLMLLYTWLFILFSSKKLTDPEGMGKTQIYLAMVLIAAAVSGTLFEKSSRPGFFVSIGFLVIIAIVTMIYQKKQGHKDRPASP 4DJK Chain:A ((12-418)) -----------QLTLLGFFAITASMVM--AVYEYP--TFATSGFSLVFFLLLGGILWFIPVGLCAAEMATVDGW---GVFAWVSNTLGPRWGFAAISFGYLQIAIGFIPMLYFVLGALSYILKW-PALNEDPITKTIAALIILWALALTQFGGTKYTARIAKVGFFAGILLPAFILIALAAIYL---H-------------TFFPDFSKVGTLVVFVAFILSYMGVEASATHVNEMSNPGRDYPLAMLLLMVAAICLSSVGGLSIAMVIPGNEINLSAGVMQTFTVLMSHVAPEIEWTVRVISALLLLGVLAEIASWIVGPSRGMYVTAQKNLLPAAFAKMNKNGVPVTLVISQLVITSIALIILTNTGGGNNMSFLIALALTVVIYLCAYFMLFIGYIVLVL---------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4DJK.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 : 1601 -286542 -178.98 -823.40 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -178.98 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.288

(partial model without unconserved sides chains): PDB file : Tito_4DJK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DJK-query.scw PDB file : Tito_Scwrl_4DJK.pdb: