Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPLAAVSLGLLLLALLLLLRHLGWGLVTIFWFEYVLQPVHNLIMGDTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMARLLQPGARLLTMEMNPDYAAITQQMLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLEYMKVVDGLEKAIYQGPSSPDKS
3OE5 Chain:A ((3-215))
---------------------------------------------DTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMARLLQPGARLLTMEINPDCAAITQQMLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLEYMKVVDGLEKAIYQGP------
General information:
TITO was launched using:
RESULT:
Template:
3OE5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -139180 for 1685 contacts (-82.6/contact) +
2D Compatibility (PS) -23243 + (NN) -9876 + (LL) 4484
1D Compatibility (HY) -32800 + (ID) 10550
Total energy: -211165.0 ( -125.32 by residue)
QMean score : 0.444
(partial model without unconserved sides chains):
PDB file :
Tito_3OE5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3OE5-query.scw
PDB file :
Tito_Scwrl_3OE5.pdb
: