Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKAIVMDFDGIVIDTEVVWYEIFKEWFKTKQNYDLSIEEFLQCVGSNVDDLFRELNEKNQMDINRQVFEAE-----------TQATFIENSKSLPAKEGVESFIRELKERGLKLALATSSQRPKPLYHLERLGLLEYFDAIITAEDVTRIKPEPDLFLEALRALDVKASESLIVEDSRNGLLAGNSAGVNVLVIPNEVTKHSDLTPNYLERESLAEVDLTEIMAEYNK
2WHE Chain:A ((1-194))
MFKAVLFDLDGVITDT--AEYH-FRAWKALAE--EIGINGVDRQFNEQLKGVSREDSLQKILDLADKKVSAEEFKELAKRKNDNYVKMIQDVSPADVYPGILQLLKDLRSNKIKIALASASKNGP--FLLERMNLTGYFDAIADPAEVAASKPAPDIFIAAAHAVGVAPSESIGLEDSQAGIQAIKDSG----ALPIGVGRPEDL------------------------
General information:
TITO was launched using:
RESULT:
Template:
2WHE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -52457 for 1427 contacts (-36.8/contact) +
2D Compatibility (PS) -19175 + (NN) -6899 + (LL) 3016
1D Compatibility (HY) -12400 + (ID) 2800
Total energy: -90715.0 ( -63.57 by residue)
QMean score : 0.512
(partial model without unconserved sides chains):
PDB file :
Tito_2WHE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WHE-query.scw
PDB file :
Tito_Scwrl_2WHE.pdb
: