Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALIDLEDKIAEIVNREDHSDFLYELLGVYDVPRATITRLKKGNQNLTKRVGEVHLKNKVWFKEAKKGKLFDALIDIEQQVEYLSAKPRYLLVTDYDGVLAKDTKTLEALDVKFEELPQYFDFFLAWKGIEKVEFEKENPADIKAAERFARIYDVLRKENNIIETNRGLDLFLIRLLFCFFAEDTDIFKRNSFTNLIKTLTEEDGSNLNKLFADLFIVLDKNERDDVPSYLKEFPYVNGQLFTEPHTELEFSAKSRKLIIECGELLNWAKINPDIFGSMIQAVASEESRSYLGMHYTSVPNIMKVIKPLFLDKLNQSFLDAYDDYTKLENLLTRIGKIKFFDPACGSGNFLIITYKELRRMEINIIKRLQELLGEYLYVPSVTLSQFYGIEIEDFAHDVAKLSLWIAEHQMNEELKNEVHNAVRPTLPLHTAGDIRCANAIRVEWTEVCPAQGSEEVYVFGNPPYLGSKKQNKE-------HKSDMLSIFGKVKNGKMLDYISAWFYFGAKYASTTNAKVAFVSTNSVTQGEQVSILWNELF-KFGI-QINFAYKSFKWANNAKNNAAVIVVIVGFGPLDTKVNKYLFVDET----K--K---LVSNIS--PYLTDGEN-ILVSSRTKPISDLPKLHFGNMPNDGGGLLFTITEYTDAINKYPELVPYFKKFIGSVEFINGGLRYCLWLNEAKYEKIKSNPLIQERISISKNHREKSTDKGTNKLALTPWKFRDTHETTNYSIVVPSVSSENRFYIPMGLAGADTILSNLIYVIYD------AEIYLLGILMSRMHMTWVKAVAGRLKTDYRYSAGLCYNTFPIPELSTRRKNEIEEAILEILDLREEQGGTLAELYNPSTMPIELKVAHEKLDGIVERAYRQKQFESDEERLEVLLKLYQEMTER 2IH2 Chain:A ((21-412)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VETPPEVVDFMVSLAE-----------------------APRGGRVLEPACAHGPFLRAFREAHG-----------------------TAYRFVGVEIDPKALDLPPWA------------------------------EGILADFLLWE-----P--GEAFDLILGNPPYGIVGEASKYPIHVFKAVKDLYKKAFS--TWKGKYNLYGAFLEKAVRLLKP-GGVLVFVVPATWLVLEDFALLREFLAREGKTSVYYLG-EVFP-------QKKVSAVVIRFQKSGKG--LSLWDTQESESGFTPILWAEYPHWEGEIIRFETEETRKLEISGMPLGDLFHIRFAARSPEFKKHP--------AV--RKEPGPGLVPVLTGRNLKPGW----VDYEKNH------S---GLWMPK---E---R-A----KELRDFY-A-------TPHLVVAHTKG---TRVVAAWDERAY-PWREEFHLLPKEGVRLDPSSLVQWLNSEAMQKHVRTLYRD--FVPHLTLR-MLERLPVRREYGFH---------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2IH2.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 : 1959 -227944 -116.36 -624.50 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -116.36 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.272

(partial model without unconserved sides chains): PDB file : Tito_2IH2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IH2-query.scw PDB file : Tito_Scwrl_2IH2.pdb: