Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLSIYQASIPTFLRTLGNLSAILKKAAAHAEAKNIDPRIFIDARLAPDMFPLARQVQIASDAAKGAGARLA-GLEV---PSYADTETTFDELQARIARTVEFLEGIREEQLDGAEERNVTLKVRGQEISFNGRDFLFGFALPNFFFHVTTAYAILRHNGVELGKMDFLGGA
2HKV Chain:A ((29-143))
--------------------------------------PEDWDKRPISGKRSVYEVAVHLAVLLE-ADLRIATGATADEMAQFYAVPVLPEQLVDRLDQSWQYYQDRLMADF----STETT-YWGV---TDSTTGWLLE-AAVHLYHHRSQLLDYLNLLGYDIKLDLF----
General information:
TITO was launched using:
RESULT:
Template:
2HKV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -33862 for 692 contacts (-48.9/contact) +
2D Compatibility (PS) -11493 + (NN) -2716 + (LL) 3588
1D Compatibility (HY) -2000 + (ID) 700
Total energy: -47183.0 ( -68.18 by residue)
QMean score : 0.346
(partial model without unconserved sides chains):
PDB file :
Tito_2HKV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HKV-query.scw
PDB file :
Tito_Scwrl_2HKV.pdb
: