Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MK--IRIIGSVGSGKTTLAKKLSEWYQIDYFETDRIVWKREG-----IEVRRTDIEKIAVLNKILQQ---ENWII---EGVHLEAWVNESFDQADVIIFLNLPKKQIRSQL-IKRQIKQLLRLEAAHYQVKLNMLNKMFYWDDLFDQRTKPLIAEKMAQTPTKWLVVTEKTALQEIQKKLLQIISSRDIL
1SHK Chain:A ((1-173))
MTEPIFMVGARGCGKTTVGRELARALGYEFVDTDIFMQHTSGMTVADVVAAEGWPGFRRRESEALQAVATPNRVVATGGGMVLLEQNRQFMRAHGTVVYLFAPAEELALRLQIAEEMEAVLREREALYQDVAH-------------------------------YVVDATQPPAAIVCELMQTMRLPAA-
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) -49385 for 1081 contacts (-45.7/contact) +
2D Compatibility (PS) -15865 + (NN) -7527 + (LL) 2756
1D Compatibility (HY) -6800 + (ID) 1550
Total energy: -78371.0 ( -72.50 by residue)
QMean score : 0.499
(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
: