Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPLAAVSLGLLLLALLLLLRHLGWGLVTIFWFEYVLQPVHNLIMGDTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMARLLQPGARLLTMEMNPDYAAITQQMLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLEYMKVVDGLEKAIYQGPSSPDKS
1JR4 Chain:A ((3-214))
---------------------------------------------DTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMARLLQPGARLLTMEMNPDYAAITQQMLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLEYMKVVDGLEKAIYQG-------
General information:
TITO was launched using:
RESULT:
Template:
1JR4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -147519 for 1812 contacts (-81.4/contact) +
2D Compatibility (PS) -23112 + (NN) -8168 + (LL) 4344
1D Compatibility (HY) -32800 + (ID) 10600
Total energy: -217855.0 ( -120.23 by residue)
QMean score : 0.410
(partial model without unconserved sides chains):
PDB file :
Tito_1JR4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1JR4-query.scw
PDB file :
Tito_Scwrl_1JR4.pdb
: