Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
--MKIKEIIVVE-GRDD-TARIKLAVDADTIETNGS----AID-DHVIDQI---------RLAQKT----RGVIILTDPDFPG-----------------EKIRKTISEAVPGC-KHAFLPKHLAKPKNKRGIGVEHASVESIRACLENVHEEMEA-QPSDISAEDLIH--AGLIGGPAAKCRRERLGDLLKIGYTNGKQLQKRLQM-FQIKKSDFMSA-LDTVMREEQNE
4G3A Chain:A ((5-231))
KPSDLDGFIQ-QMPKADMRVKVQLAEDLVTFLSDDTNSIVCTDMGFLIDGLMPWLTGSHFKIAQKSLEAFSELIKRLGSDFNAYTATVLPHVIDRLGDSRDTVREKAQLLLRDLMEHRVLPPQALIDKLATSC-FKHKNAKVREEFLQTIVNALHEYGTQQLSVRVYIPPVCALLGDPTVNVREAAIQTLVEIYKHVGDRLRPDLRRMDDVPASKL--AMLEQKFDQVKLE
General information:
TITO was launched using:
RESULT:
Template:
4G3A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -20130 for 1159 contacts (-17.4/contact) +
2D Compatibility (PS) -19639 + (NN) -12575 + (LL) 200
1D Compatibility (HY) -10400 + (ID) 1850
Total energy: -64394.0 ( -55.56 by residue)
QMean score : 0.384
(partial model without unconserved sides chains):
PDB file :
Tito_4G3A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4G3A-query.scw
PDB file :
Tito_Scwrl_4G3A.pdb
: