Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQKVLVVDDEHSIVTLLKYNLETAGYEVVVAFDGDEALEKVESEQPDLIILDVMLPKKDGIDVCKTVRTNKNLVPILMLTAKNDEFDRVLGLELGADDYMTKPFSPREVVARVKAILRRSQFVKEVEEI--DDDITIG-SIRIRPDYFEVYKHNELLELTPKEFELLLYLIERQGRVITREHMLNTVWNYEFAGDSRIVDVHISHLRDKLEDNPKKPQLIKTVRGLGYKLERPKEQ
4KNY Chain:B ((5-225))
---NVLIVEDEQAIRRFLRTALEGDGMRVFEAETLQRGLLEAATRKPDLIILDLGLPDGDGIEFIRDLR-QWSAVPVIVLSARSEESDKIAALDAGADDYLSKPFGIGELQARLRVALRRHSATTAPDPLVKFSDVTVDLAARV------IHRGEEEVHLTPIEFRLLAVLLNNAGKVLTQRQLLNQVWGPNAVEHSHYLRIYMGHLRQKLEQDPARPRHFITETGIGYRF------
General information:
TITO was launched using:
RESULT:
Template:
4KNY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -124172 for 1541 contacts (-80.6/contact) +
2D Compatibility (PS) -23056 + (NN) -11574 + (LL) 916
1D Compatibility (HY) -16400 + (ID) 3950
Total energy: -178236.0 ( -115.66 by residue)
QMean score : 0.577
(partial model without unconserved sides chains):
PDB file :
Tito_4KNY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4KNY-query.scw
PDB file :
Tito_Scwrl_4KNY.pdb
: