Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRIEALPTHIKAQVLAEALPWLKQLHGKVVVVKYGGNAMTDDTLRRAFAADMAFLRNCGIHPVVVHGGGPQITAMLRRLGIEGDFKGGFRVTTPEVLDVARMVLFGQVGRELVNLINAHGPYAVGITGEDAQLFTAVRRSVT------VDGVATDIGLVGDVDQVNTAAMLDLVAAGRIPVVSTLAPDADGVVHNINADTAAAAVAEALGAEKLLMLTDIDGLYTRWPDRDSLVSEIDTGTLAQLLP--TLESGMVPKVEACLRAVIGGVPSAHIIDGRVTHCVLVELFTDAGTGTKVVRG
2BUF Chain:H ((11-292))
------------AKVLSEALPYIRRFVGKTLVIKYGGNAMESEELKAGFARDVVLMKAVGINPVVVHGGGPQIGDLLKRLSIESHFIDGMRVTDAATMDVVEMVLGGQVNKDIVNLINRHGGSAIGLTGKDAELIRAKKLTVTRQTPEMTKPEIIDIGHVGEVTGVNVGLLNMLVKGDFIPVIAPIGVGSNGESYNINADLVAGKVAEALKAEKLMLLTNIAGLMDK---QGQVLTGLSTEQVNELIADGTIYGGMLPKIRCALEAVQGGVTSAHIIDGRVPNAVLLEIFTDSGVGT-----
General information:
TITO was launched using:
RESULT:
Template:
2BUF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -231344 for 2310 contacts (-100.1/contact) +
2D Compatibility (PS) -30705 + (NN) -17740 + (LL) 1448
1D Compatibility (HY) -28800 + (ID) 6700
Total energy: -313841.0 ( -135.86 by residue)
QMean score : 0.542
(partial model without unconserved sides chains):
PDB file :
Tito_2BUF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BUF-query.scw
PDB file :
Tito_Scwrl_2BUF.pdb
: