Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MFYSIKELVE--QADLDFQGNVAELMITTEFELTGRERE-EVFLLMERNLEVMKASVQLGLNENKSRSGLTGGDAAKLDHYIENGKTLSDYTILSAARNAIAVNEHNAKMGLVCATPTAGSAGCLP-------------SVLTAAIEKLDLSHEQQLDFLFAAGAFG---------------------------LVIANNASISGAEGGCQAEVGSASAMSAAALTLAAGGTPYQASQAIAFVIKNM---------LGLICDPVAGLVEV---PCVKRNAMGASFAFIAADMALAGIESKIPVDEVIDAMYQVGASMPTAFRE----------------------TAEGGLATTPTGRRLQKEIFGE 1GA1 Chain:A ((3-372)) GTAKGHNPTEFPTIYDASSAPTAANTTVGIITIGGVSQTLQDLQQFTSANGLASVNTQTIQTGSSNGDYSDDQQGQGEWDLDSQSIVGSAGGAVQQLLFYMADQSASGNTGLTQAFNQAVSDNVAKVINVSLGWCEADANADGTLQAEDRIFATAAAQGQTFSVSSGDEGVYECNNRGYPDGSTYSVSWPASSPNVIAVGGTTLYTTSAGAYSNETVWNEGLDSNGKLWATGGGYSVYESKPSWQSVVSGTPGRRLLPDISFDAAQGTGALIYNYGQLQQIGGTSLASPIFVGLWARLQSANSNSLGFPAASFYSAISSTPSLVHDVKSGNNGYGGYGYNAGTGWDYPTGWGSLDIAKLSAYIRSNGFGH

General information: TITO was launched using: RESULT: Template: 1GA1.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 : 1792 41027 22.89 141.47 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 22.89 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.159

(partial model without unconserved sides chains): PDB file : Tito_1GA1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1GA1-query.scw PDB file : Tito_Scwrl_1GA1.pdb: