Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDK-MGGPEEFIQRFLPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGFN----LKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVLQGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKG---VSFPTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
4FG9 Chain:A ((20-277))
---------YDFRDVLGTGAFSEVILAEDKRTQKLVAIKCIAKE--------EN----EIAVLHKIKHPNIVALDDIYESG-GHLYLIMQLVSGGELFDRIVEKGFYTERDASRLIFQVLDAVKYLHDLGIVHRDLKPENLLYYSLDEDSKIMISDF--------------------PGYVAPEVLAQKPY-SKAVDCWSIGVIAYILLCGYPPFYDENDAKLFEQILKAEYEFDSPYWDDISDSAKDFIRHLMEKDPEKRFTCEQALQHPWIAGD
General information:
TITO was launched using:
RESULT:
Template:
4FG9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -136602 for 1648 contacts (-82.9/contact) +
2D Compatibility (PS) -23744 + (NN) -11406 + (LL) 1812
1D Compatibility (HY) -21200 + (ID) 4150
Total energy: -195290.0 ( -118.50 by residue)
QMean score : 0.423
(partial model without unconserved sides chains):
PDB file :
Tito_4FG9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4FG9-query.scw
PDB file :
Tito_Scwrl_4FG9.pdb
: