Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKLSIVVAPDERLTTRASEVTGINDKIKELVNDMFETMYNAEGLGLAAVQIGVLKRIFVMDIQLEDIKGEPVGYESTGKFCMINPEITELSDEQVILKEGCLSIPEQSHEIRRPKYLTVKYKDLNNKEQTLKASGWLARCIQHELDHLNGILYI-RHLSKLKYDMAMKKAEKFKRHYER
4DR8 Chain:B ((17-177))
-PPLDLHYLGDRVLRQPAKRVSRIDDELRQTIRQMLQTMYSADGIGLAAPQVGINKQLIVIDLELEDEQAPP--------LVLINPKIERTAGDLEQCQEGCLSIPGVYLDVERPEIVEVSYKDENGRPQRLVADGLLARCIQHEMDHLNGVLFVDRVENRLELNEALDKKGFAVQAVRP
General information:
TITO was launched using:
RESULT:
Template:
4DR8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -98011 for 1196 contacts (-81.9/contact) +
2D Compatibility (PS) -16667 + (NN) 1017 + (LL) 340
1D Compatibility (HY) -15600 + (ID) 3350
Total energy: -132271.0 ( -110.59 by residue)
QMean score : 0.441
(partial model without unconserved sides chains):
PDB file :
Tito_4DR8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DR8-query.scw
PDB file :
Tito_Scwrl_4DR8.pdb
: