Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRFLPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGFN-LKLTDFGFAKVLPKSHRE--LSQTFCGSTAYAAPEVLQGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKGVSFPTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
4CZU Chain:B ((13-268))
---------YELGRTLGEGTFAKVKFARNVENGDNVAIKVIDKEKVLKNKMIAQIKREISTMKLIKHPNVIRMFEVMASKT-KIYFVLEFVTGGELFDKISSNGRLKEDEARKYFQQLINAVDYCHSRGVYHRDLKPENLLLDANGALKVSDFGLS-ALPQQVREDGLLHDTCGTPNYVAPEVINNKGYDGAKADLWSCGVILFVLMAGYLPFEDSNLTS-LYKKIFKAEFTCPPWFSASAKKLIKRILDPNPATRITFAEVIENEWFKKG
General information:
TITO was launched using:
RESULT:
Template:
4CZU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -147975 for 1976 contacts (-74.9/contact) +
2D Compatibility (PS) -26858 + (NN) -10237 + (LL) 540
1D Compatibility (HY) -22000 + (ID) 4950
Total energy: -211480.0 ( -107.02 by residue)
QMean score : 0.386
(partial model without unconserved sides chains):
PDB file :
Tito_4CZU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4CZU-query.scw
PDB file :
Tito_Scwrl_4CZU.pdb
: