Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLIIPAIDLKDGACVRLRQGLMEDATVFSDDPVAMAAKWVDGGCRRLHLVDLNGAFEGK----PVNGEVVTAIARRYPDLPIQIGGGIRSLETIEHYVRAGVSYVIIGTKAVKQPEFVGEACRAFPGKVIV-GLDAK-----DGFVATDGWAEVSEVQVIDLARRFEADGVSAIVYTDISKDGMMQGCNVEATAAL-ANATRIPVIASGGIHNLGDIQKLLDARTPGIIGAITGRAIYEGTLDVAEAQALCDNFKA
5AHE Chain:A ((1-244))
-MIIPALDLIDGTVVRL-------QRDYGNDPLPRLQDYAAQGAGVLHLVDLTGAKDPAKRQIPLIKTLVAGV-----NVPVQVGGGVRTEEDVAALLKAGVARVVIGSTAVKSPDVVKGWFERFGAQALVLALDVRIDEHGTKQVAVSGWQENSGVSLEQLVETYLPVGLKHVLCTDIS------GSNVSLYEEVCARYPQIAFQSSGGIGDIDDIAAL---RGTGVRGVIVGRALLEGKFTVKEAIQCWQN---
General information:
TITO was launched using:
RESULT:
Template:
5AHE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -174238 for 1735 contacts (-100.4/contact) +
2D Compatibility (PS) -23181 + (NN) -6707 + (LL) 1676
1D Compatibility (HY) -19600 + (ID) 4150
Total energy: -226200.0 ( -130.37 by residue)
QMean score : 0.670
(partial model without unconserved sides chains):
PDB file :
Tito_5AHE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-5AHE-query.scw
PDB file :
Tito_Scwrl_5AHE.pdb
: