Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRFLPR---ELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGFN-LKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVLQGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKG-VSFPTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
4BKY Chain:A ((12-264))
---------YELHETIGTGGFAKVKLACHILTGEMVAIKIMDK-----NTL--DLPRIKTEIEALKNLRHQHICQLYHVLETAN-KIFMVLEYCPGGELFDYIISQDRLSEEETRVVFRQIVSAVAYVHSQGYAHRDLKPENLLFDEYHKLKLIDFGLC-A--------------SLAYAAPELIQGK---GSEADVWSMGILLYVLMCGFLPFDDDNVMALYKKIMRGKYDVPKWLSPSSIL--LLQQMLQVDPKKRISMKNLLNHPWIMQD
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) -142773 for 1753 contacts (-81.4/contact) +
2D Compatibility (PS) -24402 + (NN) -11237 + (LL) 908
1D Compatibility (HY) -26800 + (ID) 4950
Total energy: -209254.0 ( -119.37 by residue)
QMean score : 0.391
(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
: