Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNQLPRVGLGTDVHPIEPGRPCWLVGLLFPSADGCAGHSDGDVAVHALCDAVLSAAGLGDIGEVFGVDDPRWQGVSGADMLRHVVVLITQHGYRVGNAVVQVIGNRPKIGWRRLEAQAVLSRLLNAP---VSVSATTTDGLGLTGRGEGLAAIATALVVSLR
3K2X Chain:B ((25-178))
-----RIGQGYDVHQLVPGRPLIIGGVTIPYERGLLG--DADVLLHAITDALFGAAALGDIGRHFSDTDPR---ADSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALVV---
General information:
TITO was launched using:
RESULT:
Template:
3K2X.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -135915 for 1210 contacts (-112.3/contact) +
2D Compatibility (PS) -16269 + (NN) -12045 + (LL) 652
1D Compatibility (HY) -7600 + (ID) 3000
Total energy: -174177.0 ( -143.95 by residue)
QMean score : 0.492
(partial model without unconserved sides chains):
PDB file :
Tito_3K2X.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3K2X-query.scw
PDB file :
Tito_Scwrl_3K2X.pdb
: