Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVSIRRSFEAYVDDMNIITVLIPAEQKEIMTPPFRLETEITDFPLAVREEYSLEAKYKYVCV--SDHPVTFGKIHCVRASSGHK---TDLQIGAVIRTAAFDDEFYYDGELGAVYTADHTVFKVWAPAATSAAVKLSHPNKSGRTFQMTRLEK--GVYAVTVTGDLHGYEYLFCI----CNNSEWMETV--DQYAKAVTVNGEK-------GVVLRPDQMKWTAPLKP-FSHPVDAVIYETHLRDFSIHENS-GMINKGKYLALTETDTQTANGSSSGLAYVKEL---GVTHVELLPVNDFAGVDEEKP-----------------------------LDAYNWGYNPLHFFAPEGSYASNPHDPQTRKTELKQMINTLHQHGLRVILDVVFNHVYKRE----NSPFEKTVPGYFFRHDECGMPSNGTGVGNDIASERRMARKFIADCVVYWLEEYNVDGFRFDLLGILDIDTVLYMK---EKATKAKPG-----ILLFGEGWDLATPLPHEQKAALANAPRMP--GIGFFNDMFRDAVKGNT-------------FHLKATGFALGN--------GESAQAVMHGIAGSSGWKALA------------------PI--VPEPSQSINYVESHDNHTFWDKMSFALPQENDSRKRSR-QRLAAAIILLAQGVPFIHSGQEFFRTKQGVENSYQSSDSINQLDWDRRETFKEDVHYIRRLISLRKAHPAFRLRSAADIQRHLECLTLKEHLIAYRLYDLDEVDEWKDIIVIHHASPDSVEWRLPNDIPYRLLCDPSGFQEDPTEIKKTVAVNGIGTVILYLASDLKSFA 4J3W Chain:A ((77-731)) -----------------------------------LQPESAGLPETVTQKFPFISSYRAFRVPSSVDVASLVKCQLVVASF---VDVTGLQLPGVL-----DDMFAYTGPLGAVFSEDSVSLHLWAPTAQGVSVCF-FDGPAGPALETVQLKESNGVWSVTGPREWENRYYLYEVDVYHPTKAQVLKCLAGDPYARSLSANGARTWLVDINNETLKPASWDELADEKPKLDSFSDITIYELHIRDFSAHDGTVDSDSRGGFRAF-------AYQASAGMEHLRKLSDAGLTHVHLLPSFHFAGVDDIKSNWKFVDECELATFPPGSDMQQAAVVAIQEEDPYNWGYNPVLWGVPKGSYASDPDGP-SRIIEYRQMVQALNRIGLRVVMDVVYNHLDSSGPCGISSVLDKIVPGYYVRRDTNGQIENSAAM-NNTASEHFMVDRLIVDDLLNWAVNYKVDGFRFDLMGHIMKRTMMRAKSALQSLTTDAHGVDGSKIYLYGAGWDFAE-VARNQRGINGSQLNMSGTGIGSFNDRIRDAINGGNPFGNPLQQGFNTGLFLEPNGFYQGNEADTRRSLATYADQIQIGLAGNLRDYVLISHTGEAKKGSEIHTFDGLPVGYTASPIETINYVSAHDNETLFDVISVKTPMILSVDERCRINHLASSMMALSQGIPFFHAGDEILRSKSIDRDSYNSGDWFNKLDF-----------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4J3W.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 : 2836 16060 5.66 29.79 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 5.66 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.366

(partial model without unconserved sides chains): PDB file : Tito_4J3W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4J3W-query.scw PDB file : Tito_Scwrl_4J3W.pdb: