Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQILVVDDDRHILKLVGHYLRAEGFHVLEASDGVEAEKIVETEQVHLAVIDVMMPNMDGFELCQKMR--ASYPDIPVIMLTAKDALADKSRGFEVGTDDYVTKPFEPEELIFRIRALLRRSNQASEVKINIGNITIDQKSYGIKIGNQERMIPVKEFELLYQLASYPGRIFTREELIERIWQRDYDGSDRTVDVHIKRLRDHFDEEKDGIRIVTVRGVGYKLEETR
2IYN Chain:A ((3-121))
-RRILVVEDEAPIREMVCFVLEQNGFQPVEAEDYDSAVNQLNEPWPDLILLDWMLPGGSGIQFIKHLKRESMTRDIPVVMLTARG---------ETGADDYITKPFSPKELVARIKAVMR-----------------------------------------------------------------------------------------------------------
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) -86993 for 810 contacts (-107.4/contact) +
2D Compatibility (PS) -11798 + (NN) -6629 + (LL) 8268
1D Compatibility (HY) -10400 + (ID) 2150
Total energy: -109702.0 ( -135.43 by residue)
QMean score : 0.676
(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
: