Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHRSPLAWLRLLLAAVLGAFLLGGPLHAAETAATRSPAWAQAVDPSINLYRMSPTLYRSALPNAQSVALLQRLQVKTVVSFIKDDDR-------AWLGQAPVRVLSLPTHADRVDD--AEVLSVLRQLQAAE--REGPVLMHCKHGNNRTGLFAAMYRIVVQGWDKQAALEEMQHGGFGDEDDMRDASAYVRGADVDGLRLAMANGECSPSRFAVCHVREWMAQALDRP
3F81 Chain:A ((24-173))
--------------------------------------------PSQPCNEVTPRIYVGNASVAQDIPKLQKLGITHVLNAAEGRSFMHVNTNANFYKDSGITYLGIKANDTQEFNLSAYFERAADFIDQALAQKNGRVLVHCREGYSRSPTLVIAYLMMRQKMDVKSALSIVRQNRE--IGPNDGFLAQLCQLND---------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3F81.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -63836 for 1117 contacts (-57.1/contact) +
2D Compatibility (PS) -15212 + (NN) -11141 + (LL) 5912
1D Compatibility (HY) -5200 + (ID) 1300
Total energy: -90777.0 ( -81.27 by residue)
QMean score : 0.422
(partial model without unconserved sides chains):
PDB file :
Tito_3F81.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3F81-query.scw
PDB file :
Tito_Scwrl_3F81.pdb
: