Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRKIIFFTKAPALNYGKSRLKNFLSAKDRYELSVFLIKDNLKVLEKSGYEFVVYFSGDIENLNFIDYEKIPQRGENLGDRMFNALKAELNSNDQVILLGSDLRGITLKLIESAFSGLNNSDCVIAPAEDGGYGLIGLRKPLDLFSNIVYSQSDVFEKTLQKATALDISIERLDTVRDIDEIIDLIKEELQTKDVEILGSGEYNLNYRFNK---NFVCRINLGSQLHLGDEQITYEYNALKTLESSGV-TPKPHYLKKNS---TYIRKGFLVMDYLVGRPLNYD--TDMSIAAYLLSRVHNLEFKDTDLIRV--EQPFKAMFEE-------CFEMYSVYKN--SKIYNNSIGKYI-------EHFFDYVKE-----LGIKDNISNPCIINTELNNRNFIING-NNSYIIDWEKPLIGEAEQDLAHFLVPTTTNWKTDKILSDSEIEKFIYKYEKYRKINRQKLKKYFAFNVLRGITWCSMAKVEYEASERILSNQDTYEKINKFLSEDYLKMLHKRFYEV 2Q83 Chain:A ((34-332)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AEKIDVIQ----ALVWKVHTDSGAVCLKRIHRPE-----KKALFSIFAQDYLAKKGMNVPGILPNKKGSLYSKHGSFLFVVYDWIEGRPFELTVKQDLEFIMKGLADFHTASVGYQPPNGVPIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTE-QLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTT---GVWDDETFNVMLNAYESRAPLTEEQKQVMFIDMLFPYELYDVIREK-Y-VRKSALPKEELESAF-------------------

General information: TITO was launched using: RESULT: Template: 2Q83.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 : 1026 36362 35.44 138.79 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 35.44 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.187

(partial model without unconserved sides chains): PDB file : Tito_2Q83.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2q83-query.scw PDB file : Tito_Scwrl_2Q83.pdb: