Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRLQTRFAQLKQENRAALVTFVTAGDPDYASSLEILKG-LPAAGADVIELGMPFTDPMADGPAIQLANIRALDGGQTLARTLQMVREFRSGDSETPLVLMGYFNPIHHYGVERFIAEAKEVGVDGLIVVDLPPEHNEDLCHPAQAAGIDFIRLTTPTTGDQRLPTVLEGSSGFVYYVSVAGVTGANAATLEHVEEAVARLRRHTDLPIGIGFGIRSAEHAAAVARLADGVVVGSALIDRIAKARDNAQAVKDVLALCGELAEGVRNAR
1WXJ Chain:A ((7-249))
-------FAKARSEGRAALIPYLTAGFPSREGFLQAVEEVLPYA--DLLEIGLPYS-----GPVIQRASELALRKGMSVQGALELVREVRA-LTEKPLFLMTYLNPVLAWGPERFFGLFKQAGATGVILPDLPPDEDPGLVRLAQEIGLETVFLLAPTSTDARIATVVRHATGFVYAVS-------------EVKDLVRRIKARTALPVAVGFGV-SGKATAAQAAVADGVVVGSALVRALEEGRSLAPLLQEIRQGLQRLE-------
General information:
TITO was launched using:
RESULT:
Template:
1WXJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -164525 for 1896 contacts (-86.8/contact) +
2D Compatibility (PS) -25593 + (NN) -17593 + (LL) 2268
1D Compatibility (HY) -20400 + (ID) 4700
Total energy: -230543.0 ( -121.59 by residue)
QMean score : 0.622
(partial model without unconserved sides chains):
PDB file :
Tito_1WXJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WXJ-query.scw
PDB file :
Tito_Scwrl_1WXJ.pdb
: