Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MKRKIIFFTKAPALNYGKSRLKNFLSAKDRYELSVFLIKDNLKVLEKSGYEFVVYFSGDIENL-NFIDYEKIPQRGENLGDRMFNALKAELNSNDQVILLGSDLRGITLKLIESAFSGLNNSDCVIA-PAEDGGYGLIGLRKPLDLFSNIVYSQSDVFEKTLQKATALDISIERLDTVRDIDEIIDLIKEELQTKDVEILGSGEYNLNY-RFNKNFVCRINLGSQLHLGDEQITYEYNALKTLESSGVTPKPHYLKKNSTYIRKGFLVMDYLVGRPLNYDTDMSIAAYLLSRVHNLEFKDTDLIRVEQPFKAMFEECFEMYSVYKNSKIYNNSIGKYIEHFFDYVKELGIKDNISNPCIINTELNNRNFIINGNNSYIIDWEK-PLIGEAEQDLAHFLVPTTTNWKTDKILSDS---EIEKFIYKYEKYRKINRQKLKKYFAFNVLRGITWCSMAKVEYEASERILSNQDTYEKINKFLSEDYLKMLHKRFYEV 4R6H Chain:A ((28-421)) ADTAKKTLTIYSTMS----TDSERDTFRKLAAAFEKEHSDIHVSLH-FPGNDYENMMRVRMAANDLPDLFD-------THGWGKIRYGEYTADLRDMKWTQDLDPNLNSILK----------NKSGKVYAYPINQAKDGLAYNRNILDRYG-----------------------IAPPETMDDFIKALRTIKEKSKGSIVPFWFAGYDKSSFAQYYDQFATPLLITDPAHNEKKQLI-----------------------NGTF--------------------QWSKFTYLSEILKQMQKEKLINIDAVTAKKSQLIELMAQNKIAFTMQ--GGTLGQDVAQINPNVK-VGI---IPTPAI---HPGDDPIWIGGERYTLAAWKDSPQLKEAKDFIAFMARPANAKQMAEATSLPSGLTNVKADIFYANDYEYYQDVKVEPYFDRLYLPNGMWDVLGTVGQELAADILA----PQDISQKLGREYKRLREQSET--

General information: TITO was launched using: RESULT: Template: 4R6H.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 : 2068 128559 62.17 334.79 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 62.17 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.194

(partial model without unconserved sides chains): PDB file : Tito_4R6H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4r6h-query.scw PDB file : Tito_Scwrl_4R6H.pdb: