Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDQPWNANIHYDALLDAMVPLGTQCVLDVGCGDGLLAARLA-RRIPYVTAVDIDAPVLRRAQTRFANAP-IRWLHADIMTAELPNAGFDAV------------------VSNAALHHIEDTRTALSRLGGLVTPGGTLAVVTFVTPSLRNGLWHLTSWVACGMANRVKGKWEHSAPIKWPPPQTLHELRSHVRALLPGACIRRLLYGRVLVTWRAPV
2PXX Chain:A ((46-167))
-------------------------ILVLGCGNSALSYELFLGGFPNVTSVDYSSVVVAAMQACYAHVPQLRWETMDVRKLDFPSASFDVVLEKGTLDALLAGERDPWTVSSEGVHTVDQVLSEVSR---VLVPGGRFISMTSAAPHFRT-------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2PXX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -64724 for 650 contacts (-99.6/contact) +
2D Compatibility (PS) -11360 + (NN) -7630 + (LL) 6292
1D Compatibility (HY) -8400 + (ID) 1700
Total energy: -87522.0 ( -134.65 by residue)
QMean score : 0.378
(partial model without unconserved sides chains):
PDB file :
Tito_2PXX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PXX-query.scw
PDB file :
Tito_Scwrl_2PXX.pdb
: