Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLATIDKFAYEKSMLINVGDEKGTLLDAAVRRADPALALELGTYLGYGALRIARAA-PEARVYSVELAEANASNARRIWAHAGVDDRVVCVVGTIGDGGRTLDALTEHGFATGTLDFVFLDHDKKAYLPDLQSILDRGWLHPGSIVVADNVRVPGAPKYRAYMRRQQGMSWNTIEHKTHLEYQTLVPDLVLESEYLG
3U81 Chain:A ((29-212))
----IDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMARLLQPGARLLTMEINPDCAAITQQMLNFAGLQDKVTILNGASQDLIPQLK--K--KYDVDTLDMVFLDHWKDRYLPDTLLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSS--FECTHYSSYLEYMK-VVDGLEKAIY--
General information:
TITO was launched using:
RESULT:
Template:
3U81.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -94561 for 1516 contacts (-62.4/contact) +
2D Compatibility (PS) -20045 + (NN) -6704 + (LL) 1408
1D Compatibility (HY) -16800 + (ID) 3500
Total energy: -140202.0 ( -92.48 by residue)
QMean score : 0.484
(partial model without unconserved sides chains):
PDB file :
Tito_3U81.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3U81-query.scw
PDB file :
Tito_Scwrl_3U81.pdb
: