Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LYKLIAIDIDGTLLTDDHKVTDEVKEAIRQAKLKGVKVVLCTGRPLVGVENYLTELELREEGDYVISFNGAFVQDTFTKEVISHLTLGIEDLKDIYEVSLN-----SNLHMHFFDDKALYTPNREIGKYTIVEAYLTGSQLIYKEIENVPEDFIMSKAMFIEEAPELEVGIAKIPES-FREKYHLVRSTPFYLEILNRDASKGNAVKELSEKLGIKQSEVICIGDQENDVTMLEFAGLGIAMGNAPERIKQLAD--YTTASNNDSGVAKAIQKFVLDK
3PGV Chain:A ((21-284))
-YQVVASDLDGTLLSPDHFLTPYAKETLKLLTARGINFVFATGRHYIDVGQIRDNLGIRS---YMITSNGARVHDSDGQQIFAH-NLDRDIAADLFEIVRNDPKIVTNVYR---EDEWYMNRHR-----FFKEAVF--NYKLYEPGELDPQG--ISKVFFTCEDHEHLLPLEQAMNARWGDRVNVSFSTLTCLEVMAGGVSKGHALEAVAKMLGYTLSDCIAFGDGMNDAEMLSMAGKGCIMANAHQRLKDLHPELEVIGSNADDAVPRYLRKLYL--
General information:
TITO was launched using:
RESULT:
Template:
3PGV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -100433 for 2120 contacts (-47.4/contact) +
2D Compatibility (PS) -27406 + (NN) -13869 + (LL) 1012
1D Compatibility (HY) -16800 + (ID) 3950
Total energy: -161446.0 ( -76.15 by residue)
QMean score : 0.442
(partial model without unconserved sides chains):
PDB file :
Tito_3PGV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PGV-query.scw
PDB file :
Tito_Scwrl_3PGV.pdb
: