Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
----------MGAGKTTVGNILANLADLPYIDIDEVITSEQGMSVSDIFAKYGEKEFRRLEHEKLKELATTK-AVIATGGGIVLNPENREVLKNTYPVIYLETDPEVFMNRLKGDTTRPLVQQKTAEEIRAIFEPRIAHYQDSADFIVNTDNRNQQEVAQTILTMLDK---
1SHK Chain:A ((1-173))
MTEPIFMVGARGCGKTTVGRELARALGYEFVDTDIFMQHTSGMTVADVVAAEGWPGFRRRESEALQAVA-TPNRVVATGGGMVLLEQNRQFMRAHGTVVYLFAPAEELALRL-----------QIAEEMEAVLREREALYQDVAHYVVDAT-QPPAAIVCELMQTMRLPAA
General information:
TITO was launched using:
RESULT:
Template:
1SHK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -50956 for 1067 contacts (-47.8/contact) +
2D Compatibility (PS) -15893 + (NN) -4505 + (LL) 460
1D Compatibility (HY) -10800 + (ID) 2600
Total energy: -84294.0 ( -79.00 by residue)
QMean score : 0.635
(partial model without unconserved sides chains):
PDB file :
Tito_1SHK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1SHK-query.scw
PDB file :
Tito_Scwrl_1SHK.pdb
: