Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNIFILEDDFVQQAHFEKIIKEIRVQYNLHFKTVETFAKPVQLLESIYEIGLHNLFFLDIEIKNDEQMGLEVAKQIRQVDPYAQIVFVTTHSELMPLTFRYQVSALDYIDKGLSQEEFSQRIEEVLLYVDG-ICNKPLVENSFYFKSRYSQVQLPFNDLLYIETSSRSHRVVLYTEKDRMEFTATLGDIL---KQEPRLFQCHRSFLVNPLNIFKVDRIDRLVYFQNGTTCLVSRNKVRDIVSIVDKYQKDRKR
4CBV Chain:A ((3-246))
--VLILEDVIEHQVRLERILDEISKESNIPI-SYKTTGKVREFEEYIENDEVNQLYFLAIDIHGIEKKGFEVAQLIRHYNPYAIIVFITSRSEFATLTYKYQVSALDFVDKDINDEMFKKRIEQNIFYTKSMLLENEDVVDYFDYNYKGNDLKIPYHDILYIETTGVSHKLRIIGKNFAKEFYGTMTDIQEKDKHTQRFYSPHKSFLVNIGNIREIDRKNLEIVFYEDHRCPISRLKIRKLKDILEKKSQKH--
General information:
TITO was launched using:
RESULT:
Template:
4CBV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -193841 for 1776 contacts (-109.1/contact) +
2D Compatibility (PS) -25607 + (NN) -9737 + (LL) 404
1D Compatibility (HY) -21200 + (ID) 4400
Total energy: -254381.0 ( -143.23 by residue)
QMean score : 0.519
(partial model without unconserved sides chains):
PDB file :
Tito_4CBV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4CBV-query.scw
PDB file :
Tito_Scwrl_4CBV.pdb
: