Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPLAAVSLGLLLLALLLLLRHLGWGLVTIFWFEYVLQPVHNLIMGDTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMARLLQPGARLLTMEMNPDYAAITQQMLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLEYMKVVDGLEKAIYQGPSSPDKS
3A7E Chain:A ((5-216))
---------------------------------------------DTKEQRILNHVLQHAEPGNAQSVLEAIDTYCEQKEWAMNVGDKKGKIVDAVIQEHQPSVLLELGAYCGYSAVRMARLLSPGARLITIEINPDCAAITQRMVDFAGVKDKVTLVVGASQDIIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEECGLLRKGTVLLADNVICPGAPDFLAHVRGSSCFECTHYQSFLEYREVVDGLEKAIYKG-------
General information:
TITO was launched using:
RESULT:
Template:
3A7E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -136032 for 1795 contacts (-75.8/contact) +
2D Compatibility (PS) -23071 + (NN) -9144 + (LL) 4344
1D Compatibility (HY) -29600 + (ID) 8600
Total energy: -202103.0 ( -112.59 by residue)
QMean score : 0.426
(partial model without unconserved sides chains):
PDB file :
Tito_3A7E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3A7E-query.scw
PDB file :
Tito_Scwrl_3A7E.pdb
: