Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTGPPRLSSDLDALLRRVAGH------DQAAFAEFYDHTKSRVYGLVMRVLRDTGYSEETTQEIYLEVWRNASEFDSAKGSALAWLLTMAHRRAVDRVRCEQAGNQREVRYGAANVDPASDVVADLAIAGDERRRVTECLKALTDTQRQCIELAYYGGLTYVEVSRRLAANLSTIKSRMRDALRSLRNCLDVS
4UN1 Chain:B ((21-179))
MS--HQFSPEEQAVLRIVQANLPDSLTPYADLAEQAGMTEAQVLELLGR-LKASGAIRRFGASIK----HQKTGW--THNAMVAWKVTPDQVDDCGR-KAAEHSHISHVYYRPSS-APDWPYEMYTMIHG---RSEAECLGVVEDVKRTT-------SLKEHAILRSLKELKKTSMTYFT-------------
General information:
TITO was launched using:
RESULT:
Template:
4UN1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -53459 for 948 contacts (-56.4/contact) +
2D Compatibility (PS) -16359 + (NN) -5848 + (LL) 2388
1D Compatibility (HY) -4400 + (ID) 1750
Total energy: -79428.0 ( -83.78 by residue)
QMean score : 0.426
(partial model without unconserved sides chains):
PDB file :
Tito_4UN1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4UN1-query.scw
PDB file :
Tito_Scwrl_4UN1.pdb
: