Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRKEKTSQLVQLAIVTAISIVLGMFISIPTPTGFLTLLDAG-------IFFAAFYFGKKEGAVVGALAGFLIDLLKGYPNWMFFSLLIHGAQGYLAGLPGRRRLLGLISATLVMVLGYAIASGLMYGWGAVLPDIPGNIMQNMVGMVVGFALNKSLERVKK
3V2W Chain:A ((417-461))
-----------VALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRI----------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3V2W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -16309 for 158 contacts (-103.2/contact) +
2D Compatibility (PS) -3605 + (NN) 4149 + (LL) 6468
1D Compatibility (HY) -7600 + (ID) 850
Total energy: -17747.0 ( -112.32 by residue)
QMean score : -0.163
(partial model without unconserved sides chains):
PDB file :
Tito_3V2W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3V2W-query.scw
PDB file :
Tito_Scwrl_3V2W.pdb
: