Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MATPAYMSITGTKQGLITAGAFTEDSVGNTYQEGHEDQVMVQGFNHEVIIPRDPQSGQPTGQRVHKPVVITKVFDKASPLLLAALTSGERLTKVEIQWYRTSAAGTQEHYYTTVLEDAIIVDIKDYMHNCQDPGNAHFTHLEDVHFTYRKITWTHEVSGTSGSDDWRSPVAG
4HKH Chain:B ((3-157))
--IPVYLWLKDD------GGADIKGSVDVQDREG---SIEVVAQEHCLYIPT-----KLTGTRIHTPFLFTKEIDSSSPYLYKAVTTGQTLKSAEFKWYKI-----EVEYFNTKLENVKVVKVNPVMHDI-------HNHLEQVELRYEKITWTYKDGNIIHSDAW------
General information:
TITO was launched using:
RESULT:
Template:
4HKH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -52660 for 966 contacts (-54.5/contact) +
2D Compatibility (PS) -15049 + (NN) -4749 + (LL) 648
1D Compatibility (HY) -11200 + (ID) 2500
Total energy: -85510.0 ( -88.52 by residue)
QMean score : 0.435
(partial model without unconserved sides chains):
PDB file :
Tito_4HKH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HKH-query.scw
PDB file :
Tito_Scwrl_4HKH.pdb
: