Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVLIAEDEEQMSRVLSTAISHQGYVVDVAYDGQTAIDLANQNAYDVMVMDVMMPVKTGVEAVKEIRQSGNKSHIIMLTAMAEIDDRVTGLDAGADDYLTKPFSLKELLARLRSMSRRLEDFT-PNVL-SLGRVTLSVGEQEL-QCENTIRLAGKEAKMLAFFMLNHDKELSTQQLFEHVWGADKDQEDVDEGYVFIYVSYLRQKLQAISANL-EIIGQEGSSYKLSEINGG
4KNY Chain:B ((6-225))
--VLIVEDEQAIRRFLRTALEGDGMRVFEAETLQRGLLEAATRKPDLIILDLGLPDGDGIEFIRDLRQ-WSAVPVIVLSARSEESDKIAALDAGADDYLSKPFGIGELQARLRVALRRHSATTAPDPLVKFSDVTVDLAARVIHRGEEEVHLTPIEFRLLAVLLNNAGKVLTQRQLLNQVWGPNAVEH---SHYLRIYMGHLRQKLEQDPARPRHFITETGIGYRFML----
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) -113770 for 1519 contacts (-74.9/contact) +
2D Compatibility (PS) -23207 + (NN) -12016 + (LL) 520
1D Compatibility (HY) -16000 + (ID) 3850
Total energy: -168323.0 ( -110.81 by residue)
QMean score : 0.454
(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
: