Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRKIIFFTKAPALNYGKSRLKNFLSAKDRYELSVFLIKDNLKVLEKSGYEFVVYFSGDIENLNFIDYEKIPQRGENLGDRMFNALKAELNSNDQVILLGSDLRGITLKLIESAFSGLNNSDCVIAPAEDGGYGLIGLRKPLDLFSNIVYSQSDVFEKTLQKATALDISIERLDTVRDIDEIIDLIKEELQTKDVEILGSGEYNLNYRFNKNFVCRINLGSQLHLGDEQITYEYNALKTLESSGVTPKPHYLKKNSTYIRKGFLVMDYLVGR-PLNYD------TDMSIAAYLLSRVHNLEFKDTDLIRVEQPFKAMFEECFEMYSVYKNSKI-YNNSIGKYIEHFFDYVKELGIKDNISNPCIINTELNNRNFIINGNNSYIIDWEKPLIGEAEQDLAHFLVPTTTNWKTDKILSDSEIEKFIYKYEKYRKINRQKLKKYFAFNVLRGITWCSMAKVEYEASERILSNQDTYEKINKFLSEDYLKMLHKRFYEV 3DXQ Chain:B ((21-259)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GPLERLGGLTNLVFRA-GDLCLRIP----------NRANEAVAAREAAKAGVSPEVLHVDPA-----TGVMVTRYIAGAQTMSPEKFKTRPGSPARAGEAFRKLHGSGAVFPFRFE-------LFAMIDDYLKVLSTKNVTLPAGYH-DVVREAGGVRSALA-AHPLPLAACHCDPLCENFLDTGERMWIVDWEYSGMNDPLWDLGDLSVEG--------KFNANQDEELMRAYFGGEAR-PAERGRVVIYKAMCDLLWTLWGLI-------------------------------------

General information: TITO was launched using: RESULT: Template: 3DXQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1022 -24548 -24.02 -110.08 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.59 3D Compatibility (PKB) : -24.02 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.183

(partial model without unconserved sides chains): PDB file : Tito_3DXQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3dxq-query.scw PDB file : Tito_Scwrl_3DXQ.pdb: