Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDIVSHQKIRRFEAGTFQEIESSVATEYPLTIYVNDQELVTIVCTPEYLEDLVVGFLTSEGIVRGPRDINSVDIIEATGHAKVSANFVNKFNAKYRGKRYITSCCGKSRENFYFQSDASLVNVKQNGNLQLTTDMIFRLMEKFEQNSATFHQTGGVHNAALCSSAEIIYSRMDIGRHNALDKIYGRALQDGTSTEDKAIIFSGRISSEILVKTAKLGCGIILSRSAPTELAINMAEELNITTVGFIRGDRLNVYSGFERIT
2PW9 Chain:A ((15-259))
-------KSVVIRPGGRQEMDEHVAIETPYAIALNDRVIGSSMVLPVDLEEFGAGFLFGQGYIKKAEEIREILVCPQ-GRISVYAD----------------------KIPKEMLE-EFAPL-A---DYCLPFAEIKSFIREALHSSPLGPQTHCVHGCGLWNNGRLQVYHEDVGRHNAVDKVLGSILLGRA-SNNSAVYTTGRLTSDMVLKCARIGIPIIMSRTSPSSLGLALAKRSGATLVAYSRPERINVFNAPERIL
General information:
TITO was launched using:
RESULT:
Template:
2PW9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -133069 for 1883 contacts (-70.7/contact) +
2D Compatibility (PS) -24579 + (NN) -10656 + (LL) 1720
1D Compatibility (HY) -12800 + (ID) 3150
Total energy: -182534.0 ( -96.94 by residue)
QMean score : 0.546
(partial model without unconserved sides chains):
PDB file :
Tito_2PW9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PW9-query.scw
PDB file :
Tito_Scwrl_2PW9.pdb
: