Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQAKIKNKRVLVKFSGEALAGDNQFGIDIHVLDHIAKEIRSLVENDIEVGIVIGGGNIIRGVSAAQGGIIRRTSGDYMGMLATVINAVAMQEALEHIGLDTRVQSAIEIKEICESYIYRKAIRHLEKGRVVIFGAGTGNPFFTTDTAATLRAIEIGSDLIIKATKVDGIYDKDPNKFKDAKKLDTLSYNDALIGDIEVMDDTAISLAKDNKLPIVVCNMFKKGNLLQVIKHQQGVFSMVK
2BND Chain:B ((4-234))
-NAKPVYKRILLKLSGEALQGTE-FGIDASILDRMAQEIKELVELGIQVGVVIGGGNLFRGAGLAKAGM-NRVVGDHMGMLATVMNGLAMRDALHRAYVNARLMSAIPLNAVCDSYSWAEAISLLRNNRVVILSAGTGNPFFTTDSAACLRGIEIEANVVLKATKVDGVFTADPAKDPTATMYEQLTYSEVLEKELKVMDLAAFTLARDHKLPIRVFNMNKPGALRRVVMGEKEGTLITE
General information:
TITO was launched using:
RESULT:
Template:
2BND.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -165879 for 1923 contacts (-86.3/contact) +
2D Compatibility (PS) -25516 + (NN) -12861 + (LL) 532
1D Compatibility (HY) -24000 + (ID) 5800
Total energy: -233524.0 ( -121.44 by residue)
QMean score : 0.560
(partial model without unconserved sides chains):
PDB file :
Tito_2BND.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BND-query.scw
PDB file :
Tito_Scwrl_2BND.pdb
: