Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKFIVIKIGGSTLS--DMHPSIINNIKHLRSNNIYPIIVHGGGPFINEALSNQQIEPHFVNGLRVTDKATMTITKHTLIADVNTALVAQFNQHQCSAIGLCGLDAQLF---EITSFDQ----------QYGYVGVPTALNKDALQYLCT-KFVPIINSIGFNNHDGEFYNINADTLAYFIASSLKA-PIYVLSNIAGVL-INDVVIPQLPLVDIHQYIEHGDIYGGMIPKVLDAKNAIENGCPKVIIASGNKPN-IIESIYNNDFVGTTILNS
2BUF Chain:C ((27-297))
-KTLVIKYGGNAMESEELKAGFARDVVLMKAVGINPVVVHGGGPQIGDLLKRLSIESHFIDGMRVTDAATMDVVEMVLGGQVNKDIVNLINRHGGSAIGLTGKDAELIRAKKLTVTRQTPEMTKPEIIDIGHVGEVTGVNVGLLNMLVKGDFIPVIAPIGVGS-NGESYNINADLVAGKVAEALKAEKLMLLTNIAGLMDKQGQVLTGLSTEQVNELIADGTIYGGMLPKIRCALEAVQGGVTSAHIIDGRVPNAVLLEIFTDSGVGTLISNR
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) -199296 for 2116 contacts (-94.2/contact) +
2D Compatibility (PS) -28235 + (NN) -13472 + (LL) 252
1D Compatibility (HY) -21600 + (ID) 4950
Total energy: -267301.0 ( -126.32 by residue)
QMean score : 0.479
(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
: