Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
-----------------------MLATIDKFAYEKSMLINVGDEKGTLLDAAVRRADPALALELGTYLGYGALRIARAA-PEARVYSVELAEANASNARRIWAHAGVDDRVVCVVGTIGDGGRTLDALTEHGFATGTLDFVFLDHDKKAYLPDLQSILDRGWLHPGSIVVADNVRVPGAPKYRAYMRRQQGMSWNTIEHKTHLEYQTLVPDLVLESEYLG----
4PYM Chain:A ((2-218))
GDTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMARLLQPGARLLTMEINPDCAAITQQMLNFAGLQDKVTILNGASQDLIPQLKKK----YDVDTLDMVFLDHWKDRYLPDTLLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSS--FECTHYSSYLEYMK-VVDGLEKAIYQGPSSP
General information:
TITO was launched using:
RESULT:
Template:
4PYM.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -103168 for 1568 contacts (-65.8/contact) +
2D Compatibility (PS) -20868 + (NN) -7621 + (LL) 384
1D Compatibility (HY) -16800 + (ID) 3600
Total energy: -151673.0 ( -96.73 by residue)
QMean score : 0.517
(partial model without unconserved sides chains):
PDB file :
Tito_4PYM.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4PYM-query.scw
PDB file :
Tito_Scwrl_4PYM.pdb
: