Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
-MNKISKALTWFIISFII------------FHLILFIMWGEHQEYWYLYTGIMLIAGISYVFYQRDIESKRLLTSIGVGIIT------AIILIMLQLLFSLITSNLSYSSLIKELARTGVNWKWQMLVTLLFVIPCHELYMRTVLQKEL-THFSIPKWIAILITAICSSSLFIYLDNWWIVTFIFVAQVILSLSYEYTRRIA-TTSVAQI-VAIILLLIFNA
4CUA Chain:A ((4-181))
QGANISDQWTGSELPLAFASDSNPSDPVSNVNDKLISYNNQPANRWTNWNRSNPEASVGVLFGDSGILSKRSVDNLSVGFHEDHGVGAPKSYVIEYYVGKTVPTAPKNPSFVGNED--------HVFNDSANWKPVTNLKAPAQLKAGEMNHFSFDKVET------------------------------------YAIRIRMVKADNKRGTSITEVQIFAK
General information:
TITO was launched using:
RESULT:
Template:
4CUA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -168988 for 1130 contacts (-149.5/contact) +
2D Compatibility (PS) -15970 + (NN) 9115 + (LL) 4620
1D Compatibility (HY) 0 + (ID) 1350
Total energy: -172573.0 ( -152.72 by residue)
QMean score : -0.034
(partial model without unconserved sides chains):
PDB file :
Tito_4CUA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4CUA-query.scw
PDB file :
Tito_Scwrl_4CUA.pdb
: