Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLELLLLTSELYP-DPVLPALSLLPHTVRTAPAEASS--LLEAGNADAVLVDARNDLSSGRGLCRLLSSTGRSIPVLAVVSEGGLV--AVSADWGLDEILLLSTGPAEIDARLRLVVGRRGDLADQESLGKVSLGELVIDEGTYTARLRGRPLDLTYKEFELLKYLAQHAGRVFTRAQLLHEVWGYDFFGGTRTVDVHVRRLRAKLGPEH--EALIGTVRNVGYKAVRPARGRPPAADPDDEDADPGRDGMQEPLVDPLRSQ
2GWR Chain:A ((7-228))
--RILVVDDDASLAEMLTIVLRGEGFDTAVIGDGTQALTAVRELRPDLVLLDLMLPGMNGIDVCRVLRAD-SGVPIVMLTAKTDTVDVVLGLESGADDYIMKPFKPKELVARVRARLRRNDDEPA----EMLSIADVEIDVPAHKVTRNGEQISLTPLEFDLLVALARKPRQVFTRDVLLEQVWGYR--ADTRLVNVHVQRLRAKVEKDPENPTVVLTVRGVGYKAGPP---------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2GWR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -130982 for 1666 contacts (-78.6/contact) +
2D Compatibility (PS) -23244 + (NN) -9219 + (LL) 1108
1D Compatibility (HY) -12400 + (ID) 3150
Total energy: -177887.0 ( -106.77 by residue)
QMean score : 0.526
(partial model without unconserved sides chains):
PDB file :
Tito_2GWR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GWR-query.scw
PDB file :
Tito_Scwrl_2GWR.pdb
: