Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLSIYQASIPTFLRTLGNLSAILKKAAAHAEAKNIDPRIFIDARLAPDMFPLARQVQIASDAAKGAGARLAGLEVPSYA-DTETTFDELQARIARTVEFL----EGIREEQLDGAEERNVTLKVR-GQEISFNGRDFLFGFALPNFFFHVTTAYAILRHNGVELGKMDFLGGA
3DKA Chain:A ((29-148))
---------------------------------------DHYSYKPAETSMSAEELVKHILTSFHLFANVIKEGNASPFQN----TETDLNVLAKTYTEKTVAILEQLTEEQLD----REID---AFGR--KVT-GRALLQLAMEHEIHHKGNLFVYVREMGHTELPFYQQRM-
General information:
TITO was launched using:
RESULT:
Template:
3DKA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -33362 for 634 contacts (-52.6/contact) +
2D Compatibility (PS) -11474 + (NN) -4520 + (LL) 4044
1D Compatibility (HY) 400 + (ID) 900
Total energy: -45812.0 ( -72.26 by residue)
QMean score : 0.221
(partial model without unconserved sides chains):
PDB file :
Tito_3DKA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DKA-query.scw
PDB file :
Tito_Scwrl_3DKA.pdb
: