Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNYLKFIKKTKLILMGILIFLSSFNGVLLSGIIVYAGSLNQTSSFSDVLRFGAISIL-----GWSAIYISNYYLEVTEASITKDINVKIKQGYFREQYLFSEMVK------DYSSIISVLSNDLRLIEENYFRQ-------------IFEIISSILLFIVSLSFMLYLNFLVSIIFIVLSALPIIVPVFMKKMLSNSANEYSNSNAEYTHIIKEIFNGFKTLKSYSVTKEIISLSDKKLDKLEDSTFNLKRSEV-LSKLVAVLISGFCFLVPLVVGCYFVIYH-----KSLSFSELIGIFLANDK---VLGP-IQSIAYSLNKIN------TTKDLRKP---FLKYLSGEKNFVDAEHDNNGLYTSSIDEIHMKDVVYSITPENKLSIDFSFKSPFRVLLTGTSGSGKTTILNLINGSLKPQKGYVNLLSHGKKS------SDSIPTVDQTPYIFDTTIRENVTLFQNEYFSDDQIIEVLKKVNLYEELEKIDILNYQC--GENGSNLSGGQKQKIALARALIRNNKVYLFDEISANLDNDNSNSIHDILFNL--GISFIEVSHHYDLNDKRYTDIYKLENGTLFKIK 4S0F Chain:A ((163-683)) -GFLKPLKKTVLC-----IFLAS----LLYTALGIAGSFYIKFLFDDLIKFEKLNDLHIISAGFAVIFLLQIFLNYYRSILVTKLGMSIDKSIMMEYY--SHVLKLPMNFFNSRKVGEIIS---RFMDASKIRQAISGATLTIMIDTIMAVIGGILLYIQNSSL-----FFISFIIILLYG--IIVTVF-NKPIQNANRQIMEDNAKLTSALVESVKGIETIKSFGAEEQTEKSTRDKIETVMKSSFKEGMLYINLSSLTGI-VAGLGGIVILWAGAYNVIKGNMSGGQLLAFNALLAYFLTPVKNLIDLQPLIQTAVVASNRLGEILELATEKELREDSDDFVISLKGDIEFRNVDF-RYGLRKPVLKNINLT------IPKGK-----------TVAIVGESGSGKTTLAKLLMNFYSPEKGDILINGHSIKNISLELIRKKIAFVSQDVFIFSGTVKENLCL-GNENVDMDEIIKAAKMANAHDFIEKLP-LKYDTFLNESGANLSEGQKQRLAIARALLKKPDILILDQATSNLDSITENHIKDAIYGLEDDVTVIIIAHR-----------------------

General information: TITO was launched using: RESULT: Template: 4S0F.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 : 1629 -4539 -2.79 -9.70 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -2.79 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.323

(partial model without unconserved sides chains): PDB file : Tito_4S0F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4S0F-query.scw PDB file : Tito_Scwrl_4S0F.pdb: