Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRFLPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQ-GFNLKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVLQGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLW-QQQKGVSFPTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
4BKY Chain:A ((10-266))
-------KYYELHETIGTGGFAKVKLACHILTGEMVAIKIMDKNTL--D-LPR-IKTEIEALKNLRHQHICQLYHVLETA-NKIFMVLEYCPGGELFDYIISQDRLSEEETRVVFRQIVSAVAYVHSQGYAHRDLKPENLLFDEYHKLKLIDFGLCA---------------SLAYAAPELIQGK---GSEADVWSMGILLYVLMCGFLPFDDDNVMALYKKIMRGKYDVPK--WLSPSSILLLQQMLQVDPKKRISMKNLLNHPWIMQD
General information:
TITO was launched using:
RESULT:
Template:
4BKY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -137870 for 1824 contacts (-75.6/contact) +
2D Compatibility (PS) -25290 + (NN) -13079 + (LL) 1740
1D Compatibility (HY) -26400 + (ID) 4700
Total energy: -205599.0 ( -112.72 by residue)
QMean score : 0.461
(partial model without unconserved sides chains):
PDB file :
Tito_4BKY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BKY-query.scw
PDB file :
Tito_Scwrl_4BKY.pdb
: