Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVG------GE-FVDLTDAYSPRLREL----ARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF
1YQQ Chain:B ((28-275))
-----------------------------VAFILGSG-LGALADQIENAVAISYEKLPGFPVSTVHGHAGELVLGHLQGVPVVCMKGRGHFYEGRGMTIMTDAIRTFKLLGCELLFCTNAAGSLRPEVGAGSLVALKDHINTMPGTPMVGLNDDRFGERFFSLANAYDAEYRALLQKVAKEEGFPLTEGVFVSYPGPNFETAAEIRMMQIIGGDVVGMSVVPEVISARHCDLKVVAVSAITNMAEGLSDVKLSHAQTLAAAELSKQNFINLICGFLRK-
General information:
TITO was launched using:
RESULT:
Template:
1YQQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -166800 for 2046 contacts (-81.5/contact) +
2D Compatibility (PS) -25322 + (NN) -4439 + (LL) 1672
1D Compatibility (HY) -21600 + (ID) 4750
Total energy: -221239.0 ( -108.13 by residue)
QMean score : 0.567
(partial model without unconserved sides chains):
PDB file :
Tito_1YQQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1YQQ-query.scw
PDB file :
Tito_Scwrl_1YQQ.pdb
: