Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------MIAIYVRVSTEEQAIKGSSIDSQIEACIKKAGTKDVLKYADEGFSGELLER-PALNRLREDASKGLI----SQVICYDPDRLSRKLMNQLIIDDELRKRNIPLIFVNGEYANSPEGQLFF-AMRGAISE-----FEKAKIKERTSSGRLQKMKKGMI----------IKDSKLYGYKFVKEKRTLEILEEEAKIIRMIF-------NYFTDHKSPFFGRVNGIALHLTQMGVKTKKGAKVWHRQ-------VVRQILMNSSYKGEHRQYKYDTEG--SYVSKQAGNKSIIKIRPEEEQITVTIPAI------VPAEQWDYAQELLGQSKRKHLSISPH-----NYLLSGLVRCGKCGNTMT---GKKRKSHGKDYYVYTCRKNYSGAKDRGCGKE-----MSENKLNRHVWGE--IFKFITNPQKYVSFKEAEQSNHLSDELELIEKEIEKTKKGRKRLLTLIS-LSDDDDL--------DIDEI-KAQIIELQK-------------KQNQLTEKCNEIQ----SKMKVLDD------TSSSENALKRAIDYF----------QSIGADNLTLEDKKTIVNF------IVKEVTIVDSDTIYIETY---------------------------------------- 4OIF Chain:A ((2-686)) PKYERTYTTQANFILHGGDYNPDQWLDRPDILQADLELMKLSHTNTFTVGVFAWSALEPEEGVYRFEWLDKVFDD-IYRIGGRVILATPSGARPAWLSQKYPEVLRVNAARVRQLHGGRHNHCFTSSVYREKTQHINRLLAERYGDHPALLMWHVSNEYGGECHCNLCQEAFREWLKKKYNHDLDALNAAWWTSFWSHTYTDWSQIESPSPIGEHTIHGLNLDWKRFVTDQ-TISFFENEIVPLRELTPHIPITTNFMADTHDLIPFQGLDYSKFAKHLDVISWDAYPAWHNDWESTADLAMKVGFINDLYRSLKQQPFLLMECTPSLVNWHKVNKA----KRPGMHFLSSMQMIAHGSDSILYFQWRKSR---GSFEKFHGAVVDHDNRTDSRVFQEVAEVGKALKKMSGIVGTNRPAE--VAILYDWENNWALNDAQGFAAETKRYPQTLVQHYRPFWERDIPVDVITKEHDFSRYKLLIAPMLYLVSEETIARLKEFVANGGTLVMTYISGIVDEHDLAYLGGWHQDLREMFGMEPIETDTLYPRDRNSVHYRGRSYELKDYATVIKIHAATVEGVYEDDFYADTPAVTSNQYGKGQAYYIGGRLEDQFHRDFYQELMEKLDLRPVLFVKHEKGVSVQARQAPECDYVFIMNFTEEKQAVVLEEKVKDLFTGEEIVGEIMLDKYEVRVVEKRR

General information: TITO was launched using: RESULT: Template: 4OIF.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 : 2630 107758 40.97 220.36 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 40.97 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.174

(partial model without unconserved sides chains): PDB file : Tito_4OIF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OIF-query.scw PDB file : Tito_Scwrl_4OIF.pdb: