Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRFLPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGFN----LKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVLQGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKG---VSFPTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
4FG8 Chain:B ((20-277))
---------YDFRDVLGTGAFSEVILAEDKRTQKLVAIKCIAK---------N----EIAVLHKIKHPNIVALDDIYESG-GHLYLIMQLVSGGELFDRIVEKGFYTERDASRLIFQVLDAVKYLHDLGIVHRDLKPENLLYYSLDEDSKIMISDFG---------GSVLSTACGTPGYVAPEVLAQKPY-SKAVDCWSIGVIAYILLCGYPPFYDENDAKLFEQILKAEYEFDSPYWDDISDSAKDFIRHLMEKDPEKRFTCEQALQHPWIAGD
General information:
TITO was launched using:
RESULT:
Template:
4FG8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -138175 for 1730 contacts (-79.9/contact) +
2D Compatibility (PS) -24849 + (NN) -11770 + (LL) 1592
1D Compatibility (HY) -21600 + (ID) 4350
Total energy: -199152.0 ( -115.12 by residue)
QMean score : 0.398
(partial model without unconserved sides chains):
PDB file :
Tito_4FG8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4FG8-query.scw
PDB file :
Tito_Scwrl_4FG8.pdb
: