Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRKEKTSQLVQLAIVTAISIVLGMFISIPTPTGFLTLLDAGIFFAAFYFGKKEGAVVGALAGFLIDLLKGYPN-----WMFFSLLIHGAQGYLAGLPGRRR----LLGLISATLV----MVLGYAIASGLMYGW------G----AVLPDIPGNIMQNMVGMVVGFALNKSLERVKK
3RLB Chain:A ((17-187))
----NVRLLTEIAFMAALAFIISLIPNTVYGWIIVEIACIPILLLSLRRGLTAGLVGGLIWGILSMITGHAYILSLSQAFLEYLVAPVSLGI-AGLFRQKTAPLKLAPVLLGTFVAVLLKYFFHFIAGIIFWSQYAWKGWGAVAYSLAVNGISGILTAIAAFVILIIFVKKFPKLFI
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) -93384 for 1148 contacts (-81.3/contact) +
2D Compatibility (PS) -15318 + (NN) -8319 + (LL) 652
1D Compatibility (HY) -12000 + (ID) 1200
Total energy: -129569.0 ( -112.86 by residue)
QMean score : 0.284
(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
: