Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTAISCSPRPRYASRMPVLSKTVEVTADAASIMAIVADIERYPEWNEGVKGAWVLARYDDGRPSQVRLDTAVQGIEGTYIHAVYY-----PGENQIQTVMQQGELFAKQEQLFSVVATG-AASLLTVDMDVQVTMPVPEPMVKMLLNNVLEHLAENLKQRAEQLAAS------
2PCS Chain:A ((3-162))
----------------LNGNGSIELKGTVEEVWSKLMDPSILSKCIMGCKSLELIGE----DKYKADLQIGIAAVKGKYDAIIEVTDIKPPYHYKLLVNGEGGPGFVNAEGVIDLTPINDECTQLTYTYSAEVGGKVAAIG-QRMLGGVAKLLISDFFKKIQKEIAKSHHHHH
General information:
TITO was launched using:
RESULT:
Template:
2PCS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -54542 for 1006 contacts (-54.2/contact) +
2D Compatibility (PS) -15711 + (NN) -6431 + (LL) 1004
1D Compatibility (HY) -4800 + (ID) 950
Total energy: -81430.0 ( -80.94 by residue)
QMean score : 0.287
(partial model without unconserved sides chains):
PDB file :
Tito_2PCS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PCS-query.scw
PDB file :
Tito_Scwrl_2PCS.pdb
: