Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKIGILGAMREEITPILELFGVDFEEIPLGGNVFHKGVYHNKEIIVAYSKIGKVHSTLTTTSMILAFGVQKVLFSGVAGSLVKDLKINDLLVATQLVQHDVDLSAFDHPLGFIP-ESAIFIETSGSLNALAKKIANEQHIALKEGVIASGDQFVHSKERKEFLVSEFKA-SAVEMEGASVAFVCQKFGVPCCVLRSISDNADEKAGMSFDEFLEKSAHTSAKFLKSMVDEL
4WKB Chain:B ((2-230))
--KIGIIGAMQQEVAILKDLIE-DVQEVNQAGCTFYSGQIQGVDVVLLQSGIGKVSAALGTALLISQYAPDVVINTGSAGGFDASLNVGDVVISSEVRHHDADVTAFGYEIGQMAGQPAAFKADEKLMTVAEQALAQLPNTHAVRGLICTGDAFVCTAERQQFIRQHFPSVVAVEMEASAIAQTCHQFKVPFVVVRAISDVADKESPLSFEEFLPLAAKSSSAMVLKMVELL
General information:
TITO was launched using:
RESULT:
Template:
4WKB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140678 for 2029 contacts (-69.3/contact) +
2D Compatibility (PS) -23635 + (NN) -1609 + (LL) 520
1D Compatibility (HY) -17200 + (ID) 3700
Total energy: -186302.0 ( -91.82 by residue)
QMean score : 0.485
(partial model without unconserved sides chains):
PDB file :
Tito_4WKB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WKB-query.scw
PDB file :
Tito_Scwrl_4WKB.pdb
: