Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSIEKQVAEQLLEIKAVFLKPNEPFTWASGIKSPIYCDNRLTLGFPKVRQFIAKSLAEKIKQTFG--EIDVVAGTATAGIPHAAWVSDLLDLPMVYVRSKAKEHGKGNQIEGPISKGQKVVVIEDLISTGGSSLKAVEALEEAGAEVVGIAAIFTYGLAK-GKQLLEESGTKLVTLTNYDELIEVALNENYVTGEDMETLKEWKKNPEKWGK
4OHC Chain:B ((16-224))
-SISDTTAKILLEVQAVHFNAEKPFIFTSGWASPVYIDCRKLISYPRVRRALMEMAETTITRDIGFEQIDAVAGGETAGIPFAAWIADRMMVPMQYVRKKPKGFGRNAQIEGHLEEGSRVLLVEDLTTDSRSKINFVNALRTAGATVNHCFVLFHYNIFKESVSVLKDIDVDLHALATWWDVLRVAKASGYFETKTLDEVEKFLHAPAEW--
General information:
TITO was launched using:
RESULT:
Template:
4OHC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119312 for 1669 contacts (-71.5/contact) +
2D Compatibility (PS) -23143 + (NN) -11500 + (LL) 100
1D Compatibility (HY) -18400 + (ID) 3600
Total energy: -175855.0 ( -105.37 by residue)
QMean score : 0.617
(partial model without unconserved sides chains):
PDB file :
Tito_4OHC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4OHC-query.scw
PDB file :
Tito_Scwrl_4OHC.pdb
: