Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNLLMLSTPVLISVVEVAANEQQSVNEENAHVNIEGMSTMEEIPRTSEDMDTEEGNDPMMKESENEKTKKQSEEANEEWKGVVFGESTSASRYAIEPLEDGVRLSSTNNGGKFQSSGSDGMTYYYQAIPKDINFRMRATIEIESWTYTNAQEGFALMVRDAVPKNHLFGQAFYSNSFAILGSRIEYVWDSDRQEVVNTSGSKYTMRLGLGTRAITGISSEDPQAAPAPGSVSVETTPLETSAGFLEKETGSYNIFGNGHGNLFPATNSITKLDVEMKKTNTGLEAYYYDPETGEEMASDIMYDWEKLYASDESVIYAGFAAARNMTIKVEGIEVAYSDPATDPPGQERPTRLIDPIYTVTSSNHSGNQDHTMSFRANADGLLTIKNKATGEVLKNAKNLAITANREFDYQTKLMEGTNEFTFSFTPDKNYPPEEYVEMTSYETKEILHTVDYRKPKYSTVYVTPEGSDAGNGSRQNPLSLTQALRYAY--AGQTIVMAPGTYSFERGLTIPKGVNG--TRENPIQLIAEKNPENKRPVLDFKGTG---------NGMTLFSHYWGLRGFDITNSAAMQK----GL--------QISGNHNLIEEIHAYRNGNTGIQISGSSNDPFEAWPAHNLVKNCTSFENADPGFEDADGFAAKLTIGEGNVFDGCIAYHNADDGWDLFAKNETGSIGKVIIKNSVAYRNGWVPGIEGEGNGNGFKMGGSS----LTGPHELINSLSFENLAKGIDSNSGTDIIVNSSTSFNNGSYNVALYTSSAGNTDYHASGILSFRTENLEMREQIRPLNQNEDQIYHSLNYYWNEREKQSENTLGHTISKDWIESLNTCSKEGQQPVTRYENGSIHVHGLMQIKPGNRQTEKERVDGLPLSVGAIFDGETSPSSEYPEYAIVQEPNQTKPNEQNNPIIIQEANGVAENAEGNIIELKPFTVFVSTFTPNQGTPVFEDMRYFPEKIQIVETQSSAQFSNHTAIFSAPSKGEYTLEVTYRSEIFDGEKWSAHTESVTQQKAITVRETADVPPGNDKPERENPGNESPNGKPNGKPSHPDRTAKESEKNGTQGLPKTGEFNNPLLALAGGILLIGVVVYVMKQRKK 2PYH Chain:B ((3-295)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YNVKDFGA-LGDGVSDDRASIQAAIDAAYAAGGGTVYLPAGEYRVSAAGEP---GDGCLMLKDGVYLAGAG---MGETVIKLIDGSDQKITGMVRSAYGEETSNFGMRDLTLDGNRDNTSGKVDGWFNGYIPGGDGADRDVTIERVEVREMSGYGFDPHEQT--------INLTIRDSVAHDNGL------DGFV--ADYLVDSVFENNVAYANDRHGFNVVTS-----THDFVMTNNVAYGNG----------SSGLVVQRGLEDLALPSNILIDGGAYYDNAREGVLLKMTSDITLQNADIHGNGSSGVRVYGA----QDVQILDNQIHDNAQ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2PYH.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 : 1873 50165 26.78 190.02 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.59 3D Compatibility (PKB) : 26.78 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.257

(partial model without unconserved sides chains): PDB file : Tito_2PYH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PYH-query.scw PDB file : Tito_Scwrl_2PYH.pdb: