Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGDKLLSELGYKLGRTIGEGSYSKVKVATSKKYKGTVAIKVVDRRRAPPDFVNKFLPRELSILRGVRHPHIVHVFEFIEVCNGKLYIVME-AAATDLLQAVQRNGRIPGVQARDLFAQIAGAVRYLHDHHLVHRDLKCENVLLSPDERRVKLTDFGFGR--QAHGYPDLSTTYCGSAAYASPEVLLGIPYDPKKYDVWSMGVVLYVMVTGCMPFDDSDIAGLPRRQ-KRGVLYPEGLELSERCKALIAELLQFSPSARPSAGQVARNCWLRAGDSG
4CZT Chain:C ((13-271))
-----------YELGRTLGEGTFAKVKFARNVENGDNVAIKVIDKEKVLKNKMIAQIKREISTMKLIKHPNVIRMFEVM-ASKTKIYFVLEFVTGGELFDKISSNGRLKEDEARKYFQQLINAVDYCHSRGVYHRDLKPENLLLDAN-GALKVSDFGLSALPQQVREDGLLHTTCGTPNYVAPEVINNKGYDGAKADLWSCGVILFVLMAGYLPFEDSNLTSLYKKIFKAEFTCPPWFSAS--AKKLIKRILDPNPATRITFAEVIENEWFKKGYKA
General information:
TITO was launched using:
RESULT:
Template:
4CZT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -145254 for 1973 contacts (-73.6/contact) +
2D Compatibility (PS) -27776 + (NN) -12209 + (LL) 840
1D Compatibility (HY) -23600 + (ID) 4600
Total energy: -212599.0 ( -107.75 by residue)
QMean score : 0.431
(partial model without unconserved sides chains):
PDB file :
Tito_4CZT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4CZT-query.scw
PDB file :
Tito_Scwrl_4CZT.pdb
: