Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRFLPR---ELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGFN-LKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVLQGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKG-VSFPTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
4BKZ Chain:A ((12-264))
---------YELHETIGTG--AKVKLACHILTGEMVAIKIMDK-----NTL---LPRIKTEIEALKNLRHQHICQLYHVLETAN-KIFMVLEYCPGGELFDYIISQDRLSEEETRVVFRQIVSAVAYVHSQGYAHRDLKPENLLFDEYHKLKLIDFGLC-A--------------SLAYAAPELIQG----GSEADVWSMGILLYVLMCGFLPFDDDNVMALYKKIMRGKYDVPKWLSPSSIL--LLQQMLQVDPKKRISMKNLLNHPWIMQD
General information:
TITO was launched using:
RESULT:
Template:
4BKZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -137944 for 1711 contacts (-80.6/contact) +
2D Compatibility (PS) -23649 + (NN) -10353 + (LL) 1388
1D Compatibility (HY) -27200 + (ID) 4950
Total energy: -202708.0 ( -118.47 by residue)
QMean score : 0.398
(partial model without unconserved sides chains):
PDB file :
Tito_4BKZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BKZ-query.scw
PDB file :
Tito_Scwrl_4BKZ.pdb
: