Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTWRKSYERWKQTEHLDLELKERLIELEGDEQALEDCFYKDLEFGTGGMRGEIGAGTNRMNIYTVRKASAGFAAYISKQGEEAKKRGVVIAYDSRHKSPEFAMEAAKTLATQGI---QTYVFDELRPTPELSFAVRQL-----NAYGGIVVTASHNPP----EYNGYKVYGDDGGQLPPKEADIVIEQVNAIEN--------ELTITVDEENKLKEKGLIK------------IIGEDIDKVYTEKLTSISVHPEL---SEEVDVKVVFTPLHGTANKPVRRGLEA-LGYKNVTVVKEQELPDSNFSTVTSPNPEEHAAFEYAIKLGEE-------QNADILIATDPDADRLGIAVKNDQGKYTVLTGNQTGALLLHYLLS-EKKKQGILPDNGVVLKTIVTSEIGRAVASSFGLDTIDTLTGFKFIGEKIKEYEASGQYTFQFGYEESYGYLIGDFARDKDAIQAALLAVEVCAFYKKQ---GMSLYEALINLFNEYGFYREGLKSLTL-KGKQGAEQIEAILASFRQNPP--QKMAGKQVVTAEDYAVSKRTLLTESKEEAIDLPKSNVLKYFLEDGSWFCLRPSGTEPK---VKFYFAVKGSSLEDSEKRLAVLSEDVMKTVDEIVESTAK 1KFI Chain:A ((10-538)) --------------------------------VQVTQPYAGQKPGTSGLRKKVSE---ATQPNYLENFVQSIFNTLRKDE-LKPKNVLFVGGDGRYFNRQAIFSIIRLAYANDISEVHVGQA-GLMSTPASSHYIRKVNEEVGNCIGGIILTASHNPGGKEHGDFGIKFNVRTGAPAPEDFTDQIYTHTTKIKEYLTVDYEFEKHIN-L-----DQIGVYKFEGTRLEKSHFEVKVVDTVQDYTQLMQKLFDFDLLKGLFSNKDFSFRFDGMHGVAGPYAKHIFGTLLGCS-K-ESLLNCDPSEDFGGG-HPDPNLT-YAHDLVELLDIHKKKDVGTVPQFGAACDGDADRNMILGRQ--F--FVTPSDSLAVIAANANLIFKNG-------LLGAARSMPTSGALDKVAAKNGIKLFETPTGWKFFGNLMDA------GLINLCGEESFGTGS-NHIREKDGIWAVLAWLTILAHKNKNTDHFVTVEEIVTQYWQQFGRNYYSRYDYEQVDSAG----ANKMMEHLKTKFQYFEQLKQGNKADIYDYVDPVD----------QSVSKNQGVRFVFGDGSRIIFRLSGTGSVGATIRIYFEQFEQQQI--------------------------

General information: TITO was launched using: RESULT: Template: 1KFI.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 : 3009 -137742 -45.78 -289.37 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -45.78 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.430

(partial model without unconserved sides chains): PDB file : Tito_1KFI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KFI-query.scw PDB file : Tito_Scwrl_1KFI.pdb: