Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRKIIFFTKAPALNYGKSRLKNFLSAKDRYELSVFLIKDNLKVLEKSGYEF-VVYFSGDIENLNFIDYEKIPQ------RGENLGDRMFNALKAELNSN-DQVILLGSDLRGITLKLIESAFSGLNNSDCVIAPAEDGGYGLIGLRKP---LDLFSNIVYSQSDVFEKTLQKATALDISIERLDTVRDIDEIIDLIKEELQTKDVEILGSGEYNLNYRFNKNFVCRINLGSQLHLGDEQITYEYNALKTLESSGVTPKPHYLKKNSTYIRKGFLVMDYLVGRPLNYDTDMSIAAYLLSRVHNLEFKDTDLIRVEQPFKAMFEECFEMYSVYKNSKIYNNSIGKYIEHFFDYVKELGIKDNISNPCIINTELNNRNFIINGNNSYIIDWEKPLIGEAEQDLAHFLVPTTTNWKTDKILSDSEIEKFIYKYEKYRKINRQKLKKYFAFNVLRGITWCSMAKVEYEASERILSNQDTYEKINKFLSEDYLKMLHKRFYEV 3CGX Chain:A ((7-198)) ----ILFFVKYPEPGKVKTRLGEVVGNDKAAMLYRHFVQDMLQGLARLHADLHICYVPGDADLPEKFKAWLGPQHMFAAQQGLDLGERMKHAMQKAFDDGYDRVVLMGSDIPDYPCELVQKALNDLQHYDAAIGPAFDGGYYLIGFRKDSFCPDVFDGIRWGEADVYQPTVEKMRRARLEVLQLPDWNDVDTVWDL--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3CGX.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 : 840 -30380 -36.17 -167.84 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -36.17 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.184

(partial model without unconserved sides chains): PDB file : Tito_3CGX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3cgx-query.scw PDB file : Tito_Scwrl_3CGX.pdb: