Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKDWNEFEMGAVLFPFEKNAQSEMEKHNDERHYTEQSYFTTSVAHWRVAKPVHNNNICINCFNCWVYCPDAAIL--------------------SREGKLKGVDYS------HCKGCGVCVDVCPTNPKSLWMFEEQIEPATALTQWPQKQEKKKS
2C3O Chain:A ((688-763))
---------------------------------------------------------CIQCNQCAFVCPHSAILPVLAKEEELVGAPANFTALEAKGKELKGYKFRIQINTLDCMGCGNCADICPPKEKALVMQPLDTQRDAQVPNLEYAARIPVK
General information:
TITO was launched using:
RESULT:
Template:
2C3O.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -30088 for 254 contacts (-118.5/contact) +
2D Compatibility (PS) -5318 + (NN) -3207 + (LL) 3960
1D Compatibility (HY) -6400 + (ID) 1150
Total energy: -42203.0 ( -166.15 by residue)
QMean score : 0.488
(partial model without unconserved sides chains):
PDB file :
Tito_2C3O.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2C3O-query.scw
PDB file :
Tito_Scwrl_2C3O.pdb
: