Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDKMGGPEEFIQRFLPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALLQGFN----LKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVLQGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKG---VSFPTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
4FG9 Chain:B ((20-277))
---------YDFRDVLGTGAFSEVILAEDKRTQKLVAIKCIAK--------------EIAVLHKIKHPNIVALDDIYESG-GHLYLIMQLVSGGELFDRIVEKGFYTERDASRLIFQVLDAVKYLHDLGIVHRDLKPENLLYYSLDEDSKIMISDF------------VLSTACGTPGYVAPEVLAQKPY-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) -139041 for 1708 contacts (-81.4/contact) +
2D Compatibility (PS) -24331 + (NN) -10604 + (LL) 1724
1D Compatibility (HY) -21600 + (ID) 4300
Total energy: -198152.0 ( -116.01 by residue)
QMean score : 0.368
(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
: