Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNQLPRVGLGTDVHPIEPGRPCWLVGLLFPSADGCAGHSDGDVAVHALCDAVLSAAGLGDIGEVFGVDDPRWQGVSGADMLRHVVVLITQHGYRVGNAVVQVIGNRPKIGWRRLEAQAVLSRLLNAP---VSVSATTTDGLGLTGRGEGLAAIATALVVSLR
3KE1 Chain:B ((25-178))
-----RIGQGYDVHQLVPGRPLIIGGVTIPYERGLLG--DADVLLHAITDALFGAAALGDIGRHF---------ADSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALVV---
General information:
TITO was launched using:
RESULT:
Template:
3KE1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -134706 for 1186 contacts (-113.6/contact) +
2D Compatibility (PS) -15484 + (NN) -11598 + (LL) 480
1D Compatibility (HY) -8000 + (ID) 2850
Total energy: -172158.0 ( -145.16 by residue)
QMean score : 0.450
(partial model without unconserved sides chains):
PDB file :
Tito_3KE1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KE1-query.scw
PDB file :
Tito_Scwrl_3KE1.pdb
: