Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQAKIKNKRVLVKFSGEALAGDNQFGIDIHVLDHIAKEIRSLVENDIEVGIVIGGGNIIRGVSAAQGGIIRRTSGDYMGMLATVINAVAMQEALEHIGLDTRVQSAIEIKEICESYIYRKAIRHLEKGRVVIFGAGTGNPFFTTDTAATLRAIEIGSDLIIKATKVDGIYDKDPNKFKDAKKLDTLSYNDALIGDIEVMDDTAISLAKDNKLPIVVCNMFKKGNLLQVIKHQQGVFSMVK
2BNE Chain:A ((5-241))
--AKPVYKRILLKLSGEALQGTEGFGIDASILDRMAQEIKELVELGIQVGVVIGGGNLFRGAGLAKAGM-NRVVGDHMGMLATVMNGLAMRDALHRAYVNARLMSAIPLNGVCDSYSWAEAISLLRNNRVVILSAGTGNPFFTTDSAACLRGIEIEANVVLKATKVDGVFTADP---PTATMYEQLTYSEVLEKELKVMDLAAFTLARDHKLPIRVFNMNKPGALRRVVMGEKEGTLITE
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) -185511 for 2029 contacts (-91.4/contact) +
2D Compatibility (PS) -25720 + (NN) -11221 + (LL) 648
1D Compatibility (HY) -23600 + (ID) 5750
Total energy: -251154.0 ( -123.78 by residue)
QMean score : 0.572
(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
: