Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGRIQRNKIKVEIKKLSHGKDLPLPCYATMQSAGMDLYAALGNSIVLNPLERLLIPTGIVIVIPNGFEGQIRPRSGLAAKYGITVLNSPGTIDSDYRGEVKVCLINLSNQPYEIKRGDRIAQILIAPVFRVIWDDAERLCTEETERSAGGFGSSGR
3EHW Chain:Y ((38-163))
------------------------PTRGSARAAGYDLYSAYDYTI--PPMEKAVVKTDIQIALPSGCYGRVAPRSGLAAKHFIDV--GAGVIDEDYRGNVGVVLFNFGKEKFEVKKGDRIAQLICERIFYPEIEEVQAL--DDTERGSGGFGSTGK
General information:
TITO was launched using:
RESULT:
Template:
3EHW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -55392 for 783 contacts (-70.7/contact) +
2D Compatibility (PS) -13591 + (NN) -5016 + (LL) 2232
1D Compatibility (HY) -10400 + (ID) 2800
Total energy: -84967.0 ( -108.51 by residue)
QMean score : 0.333
(partial model without unconserved sides chains):
PDB file :
Tito_3EHW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3EHW-query.scw
PDB file :
Tito_Scwrl_3EHW.pdb
: