Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQAKIKNKRVLVKFSGEALAGDNQFGIDIHVLDHIAKEIRSLVENDIEVGIVIGGGNIIRGVSAAQGGIIRRTSGDYMGMLATVINAVAMQEALEHIGLDTRVQSAIEIKEICESYIYRKAIRHLEKGRVVIFGAGTGNPFFTTDTAATLRAIEIGSDLIIKATKVDGIYDKDPNKFKDAKKLDTLSYNDALIGDIEVMDDTAISLAKDNKLPIVVCNMFKKGNLLQVIKHQQGVFSMVK
2BNE Chain:B ((4-234))
-NAKPVYKRILLKLSGEALQGTE-FGIDASILDRMAQEIKELVELGIQVGVVIGGGNLFRGAGLAKAGM-NRVVGDHMGMLATVMNGLAMRDALHRAYVNARLMSAIPLNGVCDSYSWAEAISLLRNNRVVILSAGTGNPFFTTDSAACLRGIEIEANVVLKATKVDGVFTADPAKDPTATMYEQLTYSEVLEKELKVMDLAAFTLARDHKLPIRVFNMNKPGALRRVVMGEKEGTLITE
General information:
TITO was launched using:
RESULT:
Template:
2BNE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -164229 for 1970 contacts (-83.4/contact) +
2D Compatibility (PS) -25416 + (NN) -12675 + (LL) 532
1D Compatibility (HY) -24000 + (ID) 5800
Total energy: -231588.0 ( -117.56 by residue)
QMean score : 0.619
(partial model without unconserved sides chains):
PDB file :
Tito_2BNE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BNE-query.scw
PDB file :
Tito_Scwrl_2BNE.pdb
: