Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEKETFYITTPIYYPSGKLHIGNSYTTIACDAIARYKRLMGFDVFYLTGVDEHGQKIETKAEELGVKPQEYVDKMAADVKKLWKTLDISYDKFIRTTDDYHKAAVQKIFDRLLEQGDIYLGEYEGWYSVSDEEFFTETQLAEVYKDDEGNVIGGKAPSGHEVELVKEESYFFRMSKYADRLLEYYEEHPEFIQPESRKNEMINNFIKPGLEDLAVSR---TTFTWGVPVKSDPKHVVYVWIDALSNYITA----LGYGSEDESLFEKY-----WPADVQMVGKEIVRFHTIYWPIMLMALDLPLPKKVFGHGWLLMKDGKMSKSKGNVVYPEMLVERYGLDALRYYLLRAVPFGSDGVFTPEDFVSRVNYDLANDLGNLLNR-TIAMINKYCDGLVPDYASLVTPFDSELSTTAANVVGRYHDAMEKMEFNTALAEIWVLISRANKYIDETEPWVLAKDEEKKAELNSVMIHLAESLRIAAILLQPIMTETPEKIFNQLGL-DSETMNLEGLHFGEFPSGTKVVAKGTPIFPRLDMEEEVAFIQEKMSEGTQTNEDTVKWDPEETELVSTKEKQIKFDVFEKVELKVAEVINCQKVEGADKLLQFRLDAGDSQDRQILSGIAEFYPDPSELIGKKVVIVANLKPRKMRGQISQGMILSAEAPDGSLQVIEAPKSMPNGSEIA 4MW9 Chain:B ((5-521)) MKVEKVFFVTSPIYYVNAAPHIGHVYSTLITDVIGRYHRVKGERVFALTGTDEHGQKVAEAAKQKQVSPYDFTTAVAGEFKKCFEQMDYSIDYFIRTTNEQHKAVVKELWTKLEQKGDIYLGRYEGWYSISDESFLTPQNITDGV-D---NPCKVSLESGHVVTWVSEENYMFRLSAFRERLLEWYHANPGCIVPEFRRREVIRA-VEKGLPDLSVSRARATLHNWAIPVPGNPDHCVYVWLDALTNYLTGSRLRVDESGKEVSLVDDFNELERFPADVHVIGKDILKFHAIYWPAFLLSAGLPLPKKIVAHGWWTKDRKKISKSLGNVFDPVEKAEEFGYDALKYFLLRESGFSDDGDYSDKNMIARLNGELADTLGNLVMRCTSAKIN--VNGEWPSPAAY-TEEDESLIQLIKDLPGTADHYYLIPDIQKAIIAVFDVLRAINAYVTDMAPWKLVKTDPER--LRTVLYITLEGVRVTTLLLSPILPRKSVVIFDMLGVPEVHRKGIENFEFGAVPPGTRL---------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4MW9.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 : 2527 -95825 -37.92 -191.65 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -37.92 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.533

(partial model without unconserved sides chains): PDB file : Tito_4MW9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MW9-query.scw PDB file : Tito_Scwrl_4MW9.pdb: