Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRKIIFFTKAPALNYGKSRLKNFLSAKDRYELSVFLIKDNLKVLEKSGYEFVVYFSGDIENLNFIDYEKIPQRGENLGDRMFNALKAELNSNDQVILLGSDLRGITLKLIESAFSGLNNSDCVIAPAEDGGYGLIGLRKPLDLFSNIVYSQSDVFEKTLQKATALDISIERLDT-VRDIDEIIDLIKEELQTKDVEILGSGEY-NLNYRF---NKNFVCRINLGSQLH-LGDEQITYEYNALKTLESSGVTPKPHYLKKNSTYIRKGFLVMDYLVGRPLNYDTDMSIAAYLLSRVHNLE-------FKDTDLIRVEQP------FKAMFEE--CFEMYSVYKNSKIYNNSIGKYIEHFFDYVKELGIKDNISNPCIINTELNNRNFIINGNNSYIIDWEKPLIGEAEQDLAHFLVPTTTNWKTDKILSDSEIEKFIYKYEKYRKINRQKLKKYFAFNVLRGITWCSMAKVEYEASERILSNQDTYEKINKFLSEDYLKMLHKRFYEV 3JR1 Chain:A ((14-309)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------NLYFQGMWKSISQVLAEQFGAYYFIKHKEKLYSGEMNEIWLINDEVQTVFVKINERSYRSMF-----RAEADQLALLAKTNSINVPLVYGIGNSQ-GHSFLLLEALNKSKNK-QSSFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEKGLIFGNIDLIVQIVADTLSKHN-----PKPSILHGNLWIENCIQVDDKIFVCNPAC-YWGDRECDIAFSSLFEPFP------------TNFYQRYNEIYPLEEGYLERKLIYQLYYLLNFSYRYYNKKQ-----SYVSLTQKLINQILHK-------------

General information: TITO was launched using: RESULT: Template: 3JR1.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 : 1363 17875 13.11 65.00 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 13.11 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.204

(partial model without unconserved sides chains): PDB file : Tito_3JR1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3jr1-query.scw PDB file : Tito_Scwrl_3JR1.pdb: