Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------MSWDFETDPEFAQQLEWIDQFVRDEIEPVDLLVTNYGFDLSDPVRQALIPPLQQMVHERNLWACHLGPNLGGKGYGQVKLALMNEILGRSQCAPIVFGCQAPDSGNAEILAHYGSERLKETYLRPLVAGEVVSCYSMTEPEGGSDPTQFRTSAV--PDGDEWVINGTKWYSSHSRFASFIIVLAVTDPDAEPHRRMSMFVVPADAPGLETIRNVALFGHERHDGGHGYLRYNNVRVPADHLLGKRGDGFVVSQTRLGGGRIHHAMRTVGLVRKALDMMCERVLSRYTQGERLADKQMVQEMLADSWTQLEQFRLLVLQTAWKIDKY-----------DDYRKVRKDIAAVKATMPKVLNDVAGRALQLHGSLGTSDEMPFGDWIMESYRMGLADGATEIHKITVAKQLLRGRTPAPGLFPTGHLPALRAAAEAKFADRLAAVRGSHGSSGPSAAVAPSTAAETPVTDDAPRPDDMPEIADVRPGEELDWDRLVTYLSTALGVAAGAWSVKQFPNGSANLTYLVHVNDELSVVVRRPPLGTIAAGAHDMSREHRVLSRLPNAYPRAPRSLLVCEDPSIIGAPFDVMEYRPGVVVWRSIPEVLQVGDNVGHRIGLAVADALADLHTVDPASCDLADLGRPVGFLERQMAGWQKRWAAVASEAEAALMEEAATRLGRNVPTNPVHSLLHNDYQLTNVQFAAGDPDRVYSVFDWDMATLGDPLADLGSLLNYWPDPSDTAQSAGLYLPEQATIGLPTRAEMAERYAARSGFGLDNLGWYEAFAAYRVTVILQQLAARYQRGESTDPRMAERAQLVHPMAVRALDLLDHHGVK 2Z1Q Chain:B ((5-577)) KKLWQKGGGWLLEVPERVYTPEDFDESVKEIARTTRTFVEREVLPLLERM--------EHGELELNVPLMRKAGELGLLAIDVPEEYGGLDLPKVISTVVAEELSGSGGFSVTYGAHTSIG--TLPLVYFGTEEQKRKYLPKLASGEWIAAYCLTEPGSGSDALAAKTRATLSEDGKHYILNGVKQWISNAGFAHLFTVFAKVD-----GEHFTAFLVERDTPGLSFGPEEKKMG--IKASSTRQVILEDVKVPVENVLGEIGKGHKIAFNVLNVGRYKLGAGAVGGAKRALELSAQYATQRVQFGRPIGRFGLIQQKLGEMASRIYAAESAVYRTVGLIDEALLGKKGPEAVMAGIEEYAVEASIIKVLGSEVLDYVVDEGVQIHGGYGYSQEYPIERAYRDARINRIFEGTNEINRLLIPGMLLR--RAEPEDLELHQVQNLKKLALMVAGLAVQKY-----------------------------------------GQGVEEE----------------------------------------------------------------------------------------------------------------------QEVLGAVADILIDAYAAESALLRARRLG-----------GLAPVLARIYLAQALDRAQAGALSVLPRLVEG---------------------------------DEARVVYSAARRLTKREPGD-----------------LVALRRQAAEAVLEAGGYPIPR---------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2Z1Q.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 : 2904 58817 20.25 113.33 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : 20.25 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.290

(partial model without unconserved sides chains): PDB file : Tito_2Z1Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2z1q-query.scw PDB file : Tito_Scwrl_2Z1Q.pdb: