Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMLDKENPIIKEFEEAGAILHGHFVLSSGLHSDTYTQCAKIFENPSRAMKVCELLANKIKKELNSSIDLILSPAIGGIIVGYEIGRQLRMKTMFCERVNGKFELRRGFEIKRGEKILLVEDVITTGKSSLEAVKCAEDMGGKVVAEASLIKRNSETKLPFSIISLLELSIKNYSEAELPEELKKLPIIKPGSREYLSNCSK
4PAW Chain:B ((29-167))
------------YQNAKALLEGHFLLSSGFHSNYYLQSAKVLEDPKLAEQLALELAKQIQ-EAHLNIECVCSPAIGGILAGYELARALGVRFIFTERVDNTMALRRGFEVKKNEKILVCEDIITTGKSAMECAKVLEEKGAQIVAFGALANRGICKRAHSHLKAQEGACLPSHLPLFALEDFVFDMHKPSSCPLCATSVAI
General information:
TITO was launched using:
RESULT:
Template:
4PAW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -92675 for 1065 contacts (-87.0/contact) +
2D Compatibility (PS) -14608 + (NN) -1018 + (LL) 1104
1D Compatibility (HY) -12800 + (ID) 3350
Total energy: -123347.0 ( -115.82 by residue)
QMean score : 0.598
(partial model without unconserved sides chains):
PDB file :
Tito_4PAW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4PAW-query.scw
PDB file :
Tito_Scwrl_4PAW.pdb
: