Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRLQTRFAQLKQENRAALVTFVTAGDPDYASSLEILKGL-PAAGADVIELGMPFTDPMADGPAIQLANIRALDGGQTLARTLQMVREFRSGDSETPLVLMGYFNPIHHYGVERFIAEAKEVGVDGLIVVDLPPEHNEDLCHPAQAAGIDFIRLTTPTTGDQRLPTVLEGSSGFVYYVSVAGVTGANAATLEHVEEAVARLRRHTDLPIGIGFGIRSAEHAAAVARL-ADGVVVGSALIDRIA-KARDNAQAVKDVLALCGELAEGVRNAR
2DZS Chain:A ((6-239))
-----------------SLIPYLTAGDPDKQSTLNFLLALDEYAGA--IELGIPFSDPIADGKTIQESHYRALKNGFKLREAFWIVKEFRR-HSSTPIVLMTYYNPIYRAGVRNFLAAAKASGVDGILVVDLPVFHAKEFTEIAREEGIKTVFLAAPNTPDERLKVIDDMTTGFVYLVSLYGT----EEIPKTAYDLLRRAKRICRNKVAVGFGVSKREHVVSLLKEGANGVVVGSALVKIIGEKGREATEFLKKKVEELLGI--------
General information:
TITO was launched using:
RESULT:
Template:
2DZS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -171052 for 1955 contacts (-87.5/contact) +
2D Compatibility (PS) -25705 + (NN) -18091 + (LL) 2240
1D Compatibility (HY) -19600 + (ID) 4900
Total energy: -237108.0 ( -121.28 by residue)
QMean score : 0.555
(partial model without unconserved sides chains):
PDB file :
Tito_2DZS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2DZS-query.scw
PDB file :
Tito_Scwrl_2DZS.pdb
: