Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGKKILIIEDEKNLARFVSLELLHEGYDVVVETNGREGLDTALEKDFDLILLDLMLPEMDGFEITRRLQAEKTTYIMMMTARDSVMDIVAGLDRGADDYIVKPFAIEELLARVRAIFRRQEIETKTKEKGDSGSFRDLSLNTHNRSAMRGDEEISLTKREFDLLNVLMTNMNRVMTREELLEHVWKYDVAAETNVVDVYIRYLRGKIDI-PGRESYIQTVRGMGYVIREK
4KNY Chain:B ((5-223))
---NVLIVEDEQAIRRFLRTALEGDGMRVFEAETLQRGLLEAATRKPDLIILDLGLPDGDGIEFIRDLRQWSAVPVIVLSARSEESDKIAALDAGADDYLSKPFGIGELQARLRVALRRH---SATTAPDPLVKFSDVTVDLAARVIHRGEEEVHLTPIEFRLLAVLLNNAGKVLTQRQLLNQVWGPNAVEHSHYLRIYMGHLRQKLEQDPARPRHFITETGIGYRFML-
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) -116414 for 1534 contacts (-75.9/contact) +
2D Compatibility (PS) -23216 + (NN) -11416 + (LL) 704
1D Compatibility (HY) -15600 + (ID) 4050
Total energy: -169992.0 ( -110.82 by residue)
QMean score : 0.494
(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
: