Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRKEKTSQLVQLAIVTAISIVLGMFISIPTPTGFLTLLDAGIFFAAFYFGKKEGAVVGALAGFL------------IDLLKGYPNWMFFSLLIHGAQGYLAGLPGRRRLLGLISATLVMVLGYAIASGLMYGWGAVLPD-----IPGNIMQNMVGMVVGFALNKSLERVKK-----------
3RLB Chain:A ((17-192))
----NVRLLTEIAFMAALAFIISLIPNTVYGWIIVEIACIPILLLSLRRGLTAGLVGGLIWGILSMITGHAYILSLSQAFLEYL-VAPVSLGIAGLFRQKTAPLKLAPVLLGTFVAVLLKYFFHFIAGIIF-WSQYAWKGWGAVAYSLAVNGISGILTAIAAFVILIIFVKKFPKLFIHSNY
General information:
TITO was launched using:
RESULT:
Template:
3RLB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122353 for 1171 contacts (-104.5/contact) +
2D Compatibility (PS) -15340 + (NN) -8011 + (LL) 224
1D Compatibility (HY) -9200 + (ID) 1100
Total energy: -155780.0 ( -133.03 by residue)
QMean score : 0.371
(partial model without unconserved sides chains):
PDB file :
Tito_3RLB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RLB-query.scw
PDB file :
Tito_Scwrl_3RLB.pdb
: