Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPEAPPLLLAAVLLGLVLLVVLLLLLRHWGWGLCLIGWNEFILQPIHNLLMGDTKEQRILNHVLQHAEPGNAQSVLEAIDTYCEQKEWAMNVGDKKGKIVDAVIQEHQPSVLLELGAYCGYSAVRMARLLSPGARLITIEINPDCAAITQRMVDFAGVKDKVTLVVGASQDIIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEECGLLRKGTVLLADNVICPGAPDFLAHVRGSSCFECTHYQSFLEYREVVDGLEKAIYKGPGSEAGP
3HVJ Chain:B ((2-215))
---------------------------------------------------GDTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMARLLQPGARLLTMEMNPDYAAITQQMLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLEYMKVVDGLEKAIYQGP------
General information:
TITO was launched using:
RESULT:
Template:
3HVJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -151222 for 1839 contacts (-82.2/contact) +
2D Compatibility (PS) -23276 + (NN) -7687 + (LL) 4896
1D Compatibility (HY) -30000 + (ID) 8700
Total energy: -215989.0 ( -117.45 by residue)
QMean score : 0.445
(partial model without unconserved sides chains):
PDB file :
Tito_3HVJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HVJ-query.scw
PDB file :
Tito_Scwrl_3HVJ.pdb
: