Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGAGKTTVGNILANLADLPYIDIDEVITSEQGMSVSDIFAKYGEKEFRRLEHEKLKELATTKAVIATGGGIVLNPENREVLKNTYPVIYLETDPEVFMNRLKGDTTRPLVQQKTAEEIRAIFEPRIAHYQDSADFIVNTDNRNQQEVAQTILTMLDK
2SHK Chain:B ((12-168))
-GCGKTTVGRELARALGYEFVDTDIFMQHTSGMTVADVVAAEGWPGFRRRESEALQAVATPNRVVATGGGMVLLEQNRQFMRAHGTVVYLFAPAEELALRLQ------LTGRPIAEEMEAVLREREALYQDVAHYVVDATQPPAAIVCELMQTM---
General information:
TITO was launched using:
RESULT:
Template:
2SHK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -37573 for 1057 contacts (-35.5/contact) +
2D Compatibility (PS) -15950 + (NN) -4420 + (LL) 188
1D Compatibility (HY) -10800 + (ID) 2800
Total energy: -71355.0 ( -67.51 by residue)
QMean score : 0.536
(partial model without unconserved sides chains):
PDB file :
Tito_2SHK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2SHK-query.scw
PDB file :
Tito_Scwrl_2SHK.pdb
: