Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLIINENEQLVAETVSRRIIELVKEKPASLICIAGGDTPLLTIEALIKANQAGEVDFSNTQFVGLDEWVGLGRETKGSCIQTLYDAFFDRLKNVSSEQICFFDGKATSLTDECARVDKFIDDRGGMDFILLGIGLNGHIGFNEPFVPVDVNCHVVELDDVTKRVMSKYFDT--DLPLTHGISLGMQQILAAKEIFLVATGEKKIDIVKQVVEKEPTVAIPATLVK-DSNTMLVVDKIAASGVEA
2RI1 Chain:B ((30-235))
----------------------------AKTLGLATGSTPL----ELYKEIRESHLDFSDMVSINLDEYVGLSADDKQSYAYFMKQNLFAAKPFKKS---YLPNGLAADLAKETEYYDQILAQYP-IDLQILGIGRNAHIGFNEPGTAFSSQTHLVDLTPSTIAANSRFFEKAEDVP-KQAISMGLASIMSAKMILLMAFGEEKAEAVAAMVKGPVTEEIPASILQTHPKVILIVDEKAGAGI--
General information:
TITO was launched using:
RESULT:
Template:
2RI1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -164075 for 1667 contacts (-98.4/contact) +
2D Compatibility (PS) -21450 + (NN) -5379 + (LL) 4244
1D Compatibility (HY) -13600 + (ID) 3500
Total energy: -203760.0 ( -122.23 by residue)
QMean score : 0.470
(partial model without unconserved sides chains):
PDB file :
Tito_2RI1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2RI1-query.scw
PDB file :
Tito_Scwrl_2RI1.pdb
: