Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRFLPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGFN-LKLTDFGFAKVLPKSHRE--LSQTFCGSTAYAAPEVLQGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKGVSFPTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
4CZT Chain:C ((13-268))
---------YELGRTLGEGTFAKVKFARNVENGDNVAIKVIDKEKVLKNKMIAQIKREISTMKLIKHPNVIRMFEVMASKT-KIYFVLEFVTGGELFDKISSNGRLKEDEARKYFQQLINAVDYCHSRGVYHRDLKPENLLLDANGALKVSDFGLS-ALPQQVREDGLLHTTCGTPNYVAPEVINNKGYDGAKADLWSCGVILFVLMAGYLPFEDSNLTS-LYKKIFKAEFTCPPWFSASAKKLIKRILDPNPATRITFAEVIENEWFKKG
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) -153753 for 1972 contacts (-78.0/contact) +
2D Compatibility (PS) -26858 + (NN) -10237 + (LL) 540
1D Compatibility (HY) -22000 + (ID) 5000
Total energy: -217308.0 ( -110.20 by residue)
QMean score : 0.393
(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
: