Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKDWNEFEMGAVLFPFEKNAQSEMEKHNDERHYTEQSYFTTSVAHWRVAKPVHNNNICINCFNCWVYCPDAAIL--------------------SREGKLKGVDYS------HCKGCGVCVDVCPTNPKSLWMFEEQIEPATALTQWPQKQEKKKS
2PDA Chain:A ((688-763))
---------------------------------------------------------CIQCNQCAFVCPHSAILPVLAKEEELVGAPANFTALEAKGKELKGYKFRIQINTLDCMGCGNCADICPPKEKALVMQPLDTQRDAQVPNLEYAARIPVK
General information:
TITO was launched using:
RESULT:
Template:
2PDA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -30784 for 256 contacts (-120.2/contact) +
2D Compatibility (PS) -5318 + (NN) -3207 + (LL) 3960
1D Compatibility (HY) -6400 + (ID) 1150
Total energy: -42899.0 ( -167.57 by residue)
QMean score : 0.505
(partial model without unconserved sides chains):
PDB file :
Tito_2PDA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PDA-query.scw
PDB file :
Tito_Scwrl_2PDA.pdb
: