Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
--MLKLHK-K-IAWTGIKG-SAITTFITALYNGSS-VWNALAVAGIAFGGGAGTAVAALGRATVMRFIKRWGVRKTAAW----------------------------------------------------
3C4R Chain:A ((2-125))
KIKHEHIRMAMNAWAHPDGEKVPAAEITRAYFELGMTFPEL-------YDDSHPEALARNTQKIFRWVEKDTPDAVEKIQALLPAIEKSMPPLLVARMRSHSSAYFRELVETRERLVRDADDFVAVAIAGF
General information:
TITO was launched using:
RESULT:
Template:
3C4R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -10787 for 379 contacts (-28.5/contact) +
2D Compatibility (PS) -6847 + (NN) 1282 + (LL) 788
1D Compatibility (HY) 3600 + (ID) 350
Total energy: -12314.0 ( -32.49 by residue)
QMean score : 0.081
(partial model without unconserved sides chains):
PDB file :
Tito_3C4R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3C4R-query.scw
PDB file :
Tito_Scwrl_3C4R.pdb
: