Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKILTVEDDKLIREGISEYLSEFGYTVIQAKDGREALSKFN-SDINLVILDIQIPFINGLEVLKEIRKKSNLPILILTAFSDEEYKIDAFTNLVDGYVEKPFSLPVLKARIDSLIKKNFG-HLEKFEYKNLSVNFNSYTAKINDEKIDVNAKELEILKCLLDNDGQVLTRMQIIDYVWKDSEEIPYDRVVDVYIKELRKKLQL-----DCITTIRNVGYKLERK
2GWR Chain:A ((7-227))
-RILVVDDDASLAEMLTIVLRGEGFDTAVIGDGTQALTAVRELRPDLVLLDLMLPGMNGIDVCRVLRADSGVPIVMLTAKTDTVDVVLGLESGADDYIMKPFKPKELVARVRARLRRNDDEPAEMLSIADVEIDVPAHKVTRNGEQISLTPLEFDLLVALARKPRQVFTRDVLLEQVWGYR---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) -129098 for 1670 contacts (-77.3/contact) +
2D Compatibility (PS) -23271 + (NN) -9833 + (LL) 620
1D Compatibility (HY) -14800 + (ID) 3100
Total energy: -179482.0 ( -107.47 by residue)
QMean score : 0.529
(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
: