Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEDFLLSNGYQLGKTIGEGTYSKVKEAFSKKHQRKVAIKVIDK--MGGPEEFIQRFLPRELQIVRTLDHKNIIQVYEMLESADGKICLVMELAEGGDVFDCVLNGGPLPESRAKALFRQMVEAIRYCHGCGVAHRDLKCENALL----QGFNLKLTDFGFAKVLPKSHRELSQTFCGSTAYAAPEVLQGIPHDSKKGDVWSMGVVLYVMLCASLPFDDTDIPKMLWQQQKG---VSFPTHLSISADCQDLLKRLLEPDMILRPSIEEVSWHPWLAST
2JC6 Chain:A ((24-281))
---------FEFKETLGTGAFSEVVLAEEKATGKLFAVKCIPKKA-----SSIEN----EIAVLRKIKHENIVALEDIYESPN-HLYLVMQLVSGGELFDRIVEKGFYTEKDASTLIRQVLDAVYYLHRMGIVHRDLKPENLLYYSQDEESKIMIS----------------------PGYVAPEVLAQKPY-SKAVDCWSIGVIAYILLCGYPPFYDENDSKLFEQILKAEYEFDSPYWDDISDSAKDFIRNLMEKDPNKRYTCEQAARHPWIAGD
General information:
TITO was launched using:
RESULT:
Template:
2JC6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146028 for 1605 contacts (-91.0/contact) +
2D Compatibility (PS) -23796 + (NN) -10782 + (LL) 1332
1D Compatibility (HY) -20000 + (ID) 4050
Total energy: -203324.0 ( -126.68 by residue)
QMean score : 0.471
(partial model without unconserved sides chains):
PDB file :
Tito_2JC6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2JC6-query.scw
PDB file :
Tito_Scwrl_2JC6.pdb
: