Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGDKLLSELGYKLGRTIGEGSYSKVKVATSKKYKGTVAIKVVDRRRAPPDFVNKFLPR---ELSILRGVRHPHIVHVFEFIEVCNGKLYIVME-AAATDLLQAVQRNGRIPGVQARDLFAQIAGAVRYLHDHHLVHRDLKCENVLLSPDERRVKLTDFGFGRQAHGYPDLSTTYCGSAAYASPEVLLGIPYDPKKYDVWSMGVVLYVMVTGCMPFDDSDIAGLPRRQKRGVLYPEGLELSERCKALIAELLQFSPSARPSAGQVARNCWLRAGDSG
4CQG Chain:A ((11-263))
-----------YELYETIGTGGFAKVKLACHVLTGEMVAIKIMDKNALGSD-----LPRVKTEIDALKSLRHQHICQLYHVLETKN-KIFMVLEYCPGGELFDYIISQDRLSEEETRVVFRQILSAVAYVHSQGYAHRDLKPENLLFD-ENHKLKLIDFGLCAK-----------CGSLAYAAPELIQG-----SEADVWSMGILLYVLMCGFLPFDDDNVMALYKKIMRGK-YEVPKWLSPSSILLLQQMLQVDPKKRISMRNLLNHPWVMQDYSC
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) -132924 for 1788 contacts (-74.3/contact) +
2D Compatibility (PS) -25386 + (NN) -14061 + (LL) 908
1D Compatibility (HY) -24000 + (ID) 4450
Total energy: -199913.0 ( -111.81 by residue)
QMean score : 0.537
(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
: