Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQILVVDDDRHILKLVGHYLRAEGFHVLEASDGVEAEKIVETEQVHLAVIDVMMPNMDGFELCQKMR--ASYPDIPVIMLTAKDALADKSRGFEVGTDDYVTKPFEPEELIFRIRALLRRSNQASEVKINIGNITIDQKSYGIKIGNQERMIPVKEFELLYQLASYPGRIFTREELIERIWQRDYDGSDRTVDVHIKRLRDHFDEEKDGIRIVTVRGVGYKLEETR
2IYN Chain:B ((3-122))
-RRILVVEDEAPIREMVCFVLEQNGFQPVEAEDYDSAVNQLNEPWPDLILLDWMLPGGSGIQFIKHLKRESMTRDIPVVMLTARGEEEDRVRGLETGADDYITKPFSPKELVARIKAVMRR----------------------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2IYN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -81152 for 911 contacts (-89.1/contact) +
2D Compatibility (PS) -13116 + (NN) -9574 + (LL) 7684
1D Compatibility (HY) -10400 + (ID) 2350
Total energy: -108908.0 ( -119.55 by residue)
QMean score : 0.633
(partial model without unconserved sides chains):
PDB file :
Tito_2IYN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IYN-query.scw
PDB file :
Tito_Scwrl_2IYN.pdb
: