Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQGLVLQLTRAGFLMLLWVFIWSVLRILKTDIYAPTGAVMMRRGLALRGTLLGARQRRHAARYLVVTEGALTGARITLSEQP-VLIGRADDS-TLVLTDDYASTRHARLSMRGSE--WYVEDLGSTNGTYLDRAKVT--TAVRVPIGTPVRIGKTAIELRP------
2JPE Chain:A ((1-132))
MAAAVNSGSS------------------LPLFDCPTWAGKPPPGL-----------------HLDVVKGDKLIEKLIIDEKKYYLFGRNPDLCDFTIDHQSCSRVHAALVYHKHLKRVFLIDLNSTHGTFLGHIRLEPHKPQQIPIDSTVSFGASTRAYTLREKPQT
General information:
TITO was launched using:
RESULT:
Template:
2JPE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -59800 for 860 contacts (-69.5/contact) +
2D Compatibility (PS) -13058 + (NN) -2630 + (LL) 3976
1D Compatibility (HY) -5200 + (ID) 1500
Total energy: -78212.0 ( -90.94 by residue)
QMean score : 0.235
(partial model without unconserved sides chains):
PDB file :
Tito_2JPE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2JPE-query.scw
PDB file :
Tito_Scwrl_2JPE.pdb
: