Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSSPYILVLYYSRHGATAEMARQIARGVEQGGFEARVRTVPAVSTECEAVAPDIPAE---GALYATLEDLKNCAGLALGSPTRFGNMASPLKYFLDGTSSLWLTGSLVGKPAAVFTSTASLHGGQETTQLSMLLPLLHHGMLVLGIPYSEPALLETRGGGTPYGASHFAGADGKRSLDEHELTLCRALGKRLAETAGKLGS
2ZKI Chain:A ((3-195))
-CKPNILVLFYG-YGSIVELAKEIGKGAEEAGAEVKIRRVRETLPPEFQS--RIPFDKVKDIPEVTLDDMRWADGFAIGSPTRYGNMAGGLKTFLDTTAILWKDNVLYGKPVTFFTEASTVHGGHETTILTMSTYAYHFGMIIVPIGYGIPELFQTTTGGGPYGATHL---GSKEELDEMERKIARFQGKRITEVAKAIKC
General information:
TITO was launched using:
RESULT:
Template:
2ZKI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -85788 for 1641 contacts (-52.3/contact) +
2D Compatibility (PS) -20931 + (NN) -13201 + (LL) 428
1D Compatibility (HY) -10800 + (ID) 4000
Total energy: -134292.0 ( -81.84 by residue)
QMean score : 0.568
(partial model without unconserved sides chains):
PDB file :
Tito_2ZKI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2ZKI-query.scw
PDB file :
Tito_Scwrl_2ZKI.pdb
: