Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAELENRKQFAQMLAPGVKTLKLHPDYKVRRKKNEKTGQSYIDKIALQLGVSPNTIKSWIGQMGANYIPGRIDDGKLFGMIWIILEKTDLDIEWLTDLLEATTIPVIKPALPVWAASCLKKAKILRKDGLFGAPSEGEIENVVKRLFHDRPGQETNALTEQPITHNLPSRWSGRFIGRSFDMEAIRQWMLSPSPVCLITGWAGMGKTTIALEAAYSCVDDTSVWPAFNSIIWVSADWKGLSFSDFLNTIAYQLGRKEQIDKSINVKRFVVRNALANYTREKPILLIVDSIDTAERDIHEFITSLPQGVKVLLTARENVKQTYRESFGEMTAIQLSGLDQTDAHEFFQQEVHHCLQTCNLPR-KREKLEQLLHLSSDLKNEFISATAGNPKAMALSIAYMSDDDIPAQQLIHELGKAGYSLLELFE--FLFGRTWDRCNEDTRKLWQTLCFFSKPPDEKSLAAAAGLDARRFHYAMEQMRSYALIQPERSQGRTQYLAHQTVVAYGEQHLSEQHEYEKEARNRWAHYYIDYAETHLKREQPNSIYWSYLLGRNLDQMKQEWPNILKVIQWASETEQKEILIELITRISHFLSRINLPLRIEYGRKAADAAHHLGQHTREAYFRIDTSGWALMEVNDLDGALQQIEAGLKILEQSDAHDAYDL-KVWGHALKARLFLKDGQQEKAETILNEIENQPISPTIQHRVLLVRGDLSFARGYHVEAIQLYEAANEISSTYGGEKTIEAYFNLGVAYVKCDQFEKAEEAFEQMLYDKHNANQVELIYYHYGMAQLLYRKGEKTKAVESNQKAIRLIDSWEPAIGIRGEVERLARATKENE 5DSE Chain:A ((140-843)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VIAEAYATKGLCLEDVITCYEKAGDIALLYLQEIERVL-GFFLETGLQRAHVLYFKNGNLTRGVGRFRELLRAVETRTTQNLRMTIARQLAEILLRGMCEQSYWNPLEDPFCPQENTEEALLLLLISESMAN-------RSVVYDLLTIALGRRG--QYEMLSECLERAMKFAFEEFHLWYQFALSLMAAGKSARAVKVLKECIRLKPDDATIPLLAAKLCMGSLHWLEEAEKFAKTVVTSEFKAKGYLAL--GLTYSLQATDASLRGMQEVLQRKALLAFQRAHSLSPTDHQAAFYLALQLAIS-RQIPEALGYVRQALQLQGDDANSLHLLALLLSAQK------------HYHDALNIIDMALSEYPENFILLFSKVKLQSLCRGPDEALLTCKHMLQIWKSCYLHPWMTLAQIWLHAAEVYIGI--GKPAEATACTQEAANLF---PMSHNVLYMRGQIAELRGSMDEARRWYEEALAISPTH-----VKSMQRLALILHQLGRYSLAEKILRDAVQVNSTAHEV-----WNGLGEVLQAQGNDAAATECFLTALELEAS-SPAV----PFTIIPRVL----

General information: TITO was launched using: RESULT: Template: 5DSE.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 : 2596 -182409 -70.27 -342.23 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -70.27 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.350

(partial model without unconserved sides chains): PDB file : Tito_5DSE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5DSE-query.scw PDB file : Tito_Scwrl_5DSE.pdb: