Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LVLGKTLGEGEFGKVVKATAFHLKGRAG--YTTVAVKMLKENASPSELRDLLSEFNVLKQV-NHPHVIKLYGACSQDGPLLLIVEYAKYGSLRGFLRESRKVGPGYLGSGGSRNSSSLDHPDERALTMGDLISFAWQISQGMQYLAEMKLVHRDLAARNILVAEGRKMKISDFGLSRDVYEEDSYVKRSQGRIPVKWMAIESLFDHIYTTQSDVWSFGVLLWEIVTLGGNPYPGIPPERLFNLLKTGHRMERPDNCSEEMYRLMLQCWKQEPDKRPVFADISKDLEKMMVKRRDYL
2PZP Chain:A ((37-318))
LTLGKPL------QVVMAEAVGIDKDKPKEAVTVAVKMLKDDATEEDLSDLVSEMEMMKMIGKHKNIINLLGACTQDGPLYVIVEYASKGNLREYLRARRP---------------------EEQMTFKDLVSCTYQLARGMEYLASQKCIHRDLAARNVLVTENNVMKIADFGLARDINNIDYYKKTTNGRLPVKWMAPEALFDRVYTHQSDVWSFGVLMWEIFTLGGSPYPGIPVEELFKLLKEGHRMDKPANCTNELYMMMRDCWHAVPSQRPTFKQLVEDLDRILT------
General information:
TITO was launched using:
RESULT:
Template:
2PZP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -164922 for 2043 contacts (-80.7/contact) +
2D Compatibility (PS) -28035 + (NN) -13351 + (LL) -452
1D Compatibility (HY) -32400 + (ID) 7100
Total energy: -246260.0 ( -120.54 by residue)
QMean score : 0.516
(partial model without unconserved sides chains):
PDB file :
Tito_2PZP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PZP-query.scw
PDB file :
Tito_Scwrl_2PZP.pdb
: