Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRFLPR---ELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALL-QGFNLKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVLQGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKG-VSFPTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
4CQG Chain:A ((11-263))
---------YELYETIGTGGFAKVKLACHVLTGEMVAIKIMDKNALGSD-----LPRVKTEIDALKSLRHQHICQLYHVLETKN-KIFMVLEYCPGGELFDYIISQDRLSEEETRVVFRQILSAVAYVHSQGYAHRDLKPENLLFDENHKLKLIDFGLC-AK-----------CGSLAYAAPELIQG-----SEADVWSMGILLYVLMCGFLPFDDDNVMALYKKIMRGKYEVPKWLSPSSIL--LLQQMLQVDPKKRISMRNLLNHPWVMQD
General information:
TITO was launched using:
RESULT:
Template:
4CQG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -143834 for 1783 contacts (-80.7/contact) +
2D Compatibility (PS) -24705 + (NN) -12297 + (LL) 1664
1D Compatibility (HY) -26400 + (ID) 4950
Total energy: -210522.0 ( -118.07 by residue)
QMean score : 0.397
(partial model without unconserved sides chains):
PDB file :
Tito_4CQG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4CQG-query.scw
PDB file :
Tito_Scwrl_4CQG.pdb
: