Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIELWPAIDLIGSTSVRLTEGKYDSEEKMSRSAEESIAYYSQFECVNRIHIVDLIGAKAQYAREFDYIKSLRRLTTKDIEVGGGIRTKSQIMDYFAAGINYCIVGTKGIQDTDWLKEMAHTFPGRIYLSVDAYGEDIKVNGWEEDTELNLFSFVRQLSDIPLGGIIYTDIAKDGKMSGPNFELTGQLVKATTIPVIASGGIRHQQDIQRLASLN------VHAAIIGKAAHQASFWEGLE
2CFF Chain:A ((5-230))
-----PAIDLFRGKVARMIKGRKENTIFYEKDPVELVEKLIE-EGFTLIHVVDLSNAIENSGENLPVLEKLSEFA-EHIQIGGGIRSLDYAEKLRKLGYRRQIVSSKVLEDPSFLKSLREIDVEPVF-SLVTRGGRVAFKGWLAEEEIDPVSLLKRLKEYGLEEIVHTEIEKDGTLQEHDFSLTKKIAIEAEVKVLAAGGISSENSLKTAQKVHTETNGLLKGVIVGRA-----FLEGI-
General information:
TITO was launched using:
RESULT:
Template:
2CFF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -110754 for 1798 contacts (-61.6/contact) +
2D Compatibility (PS) -24104 + (NN) -9194 + (LL) 1736
1D Compatibility (HY) -17200 + (ID) 2850
Total energy: -162366.0 ( -90.30 by residue)
QMean score : 0.409
(partial model without unconserved sides chains):
PDB file :
Tito_2CFF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2CFF-query.scw
PDB file :
Tito_Scwrl_2CFF.pdb
: