Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARYTGPSWKVSRRLGISLSGTGKE-------LERRPYAPGQHGPTQRKKISEYGLQQAEKQKLRHMYGLTERQFKNTFNKAGKLRGKHGENFMILLEQRLDNIVYRLGLARTRRAARQLVNHGHITVDGKRVDIPSYQVSVGQVISVREKSAKNSAIAESLEV--SSFVPEYVTFDAEKLTGSLNRLPERSELAAEINEAFIVEFYSR
1XMQ Chain:D ((2-209))
-GRYIGPVCRLCRREGVKLYLKGERCYSPKCAMERRPYPPGQHGQKRARRPSDYAVRLREKQKLRRIYGISERQFRNLFEEASKKKGVTGSVFLGLLESRLDNVVYRLGFAVSRRQARQLVRHGHITVNGRRVDLPSYRVRPGDEIAVAEKSRNLELIRQNLEAMKGRKVGPWLSLDVEGMKGKFLRLPDREDLALPVNEQLVIEFYSR
General information:
TITO was launched using:
RESULT:
Template:
1XMQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -35256 for 1469 contacts (-24.0/contact) +
2D Compatibility (PS) -21451 + (NN) -10779 + (LL) 208
1D Compatibility (HY) -17200 + (ID) 5000
Total energy: -89478.0 ( -60.91 by residue)
QMean score : 0.453
(partial model without unconserved sides chains):
PDB file :
Tito_1XMQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1XMQ-query.scw
PDB file :
Tito_Scwrl_1XMQ.pdb
: