Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLATIDKFAYEKSMLINVGDEKGTLLDAAVRRADPALALELGTYLGYGALRIAR-AAPEARVYSVELAEANASNARRIWAHAGVDDRVVCVVGTIGDGGRTLDALTEHGFATGTLDFVFLDHDKKAYLPDLQSILDRGWLHPGSIVVADNVRVPGAPKYRAYMRRQQGMSWNTIEHKTHLEYQTLVPDLVLESEYLG
4PYN Chain:A ((25-204))
VLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMARLLQPGARLLTMEINPDCAAITQQMLNFAGLQDKVTILNGASQD----LIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSS--SFECTHYSSYLEYMKVV-----------
General information:
TITO was launched using:
RESULT:
Template:
4PYN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -95272 for 1407 contacts (-67.7/contact) +
2D Compatibility (PS) -19510 + (NN) -6069 + (LL) 448
1D Compatibility (HY) -17600 + (ID) 3500
Total energy: -141503.0 ( -100.57 by residue)
QMean score : 0.520
(partial model without unconserved sides chains):
PDB file :
Tito_4PYN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4PYN-query.scw
PDB file :
Tito_Scwrl_4PYN.pdb
: