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 4ZT4 Chain:B ((5-521)) MKVEKVFFVTSPIYYVNAAPHIGHVYSTLITDVIGRYHRVKGERVFALTGTDEHGQKVAEAAKQKQVSPYDFTTAVAGEFKKCFEQMDYSIDYFIRTTNEQHKAVVKELWTKLEQKGDIYLGRYEGWYSISDESFLTPQNIT------------VSLESGHVVTWVSEENYMFRLSAFRERLLEWYHANPGCIVPEFRRREVIRA-VEKGLPDLSVSRARATLHNWAIPVPGNPDH-VYVWLDALTNYLTGSRLRVDESGKEVSLVDDFNELERFPADVHVIGKDILKFHAIYWPAFLLSAGLPLPKKIVAHGWWTKDRKKISKSLGNVFDPVEKAEEFGYDALKYFLLRESGFSDDGDYSDKNMIARLNGELADTLGNLVMRCTSAKIN--VNGEWPSPAAY-TEEDESLIQLIKDLPGTADHYYLIPDIQKAIIAVFDVLRAINAYVTDMAPWKLVKTDPER--LRTVLYITLEGVRVTTLLLSPILPRKSVVIFDMLGVPEVHRKGIENFEFGAVPPGTRL---------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ZT4.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 : 2464 -85499 -34.70 -174.13 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -34.70 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.578

(partial model without unconserved sides chains): PDB file : Tito_4ZT4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZT4-query.scw PDB file : Tito_Scwrl_4ZT4.pdb: