Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
VENTIVIKLGGVA--SDNLTEGFFRQITEWQAANKKIVLVHGGGHYITKMMEALAIPVETKNGLRVTNKATLEVTKMVLIGQVQPAITTAFQKRNISVIGLNASDTGLLEADRLSDT--DLGLVGKITKVKTNLIEQLLSENIITVIAPLGINSEHDWLNVNADTAACEVASALHAEALYLLTDVPGV--KNGSEIIGEIATAEIEKLQSTGVIKGGMIPKLASAAFAAENGVGQVIITDSLNNSGTKIKNKVAIG
2BUF Chain:E ((25-273))
VGKTLVIKYGGNAMESEELKAGFARDVVLMKAVGINPVVVHGGGPQIGDLLKRLSIESHFIDGMRVTDAATMDVVEMVLGGQVNKDIVNLINRHGGSAIGLTGKDAELIRAKKLTVTIIDIGHVGEVTGVNVGLLNMLVKGDFIPVIAPIGVGSNGESYNINADLVAGKVAEALKAEKLMLLTNIAGLMDKQGQVLTG-LSTEQVNELIADGTIYGGMLPKIRCALEAVQGGVTSAHIID----------------
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) -181125 for 1963 contacts (-92.3/contact) +
2D Compatibility (PS) -26163 + (NN) -9270 + (LL) 628
1D Compatibility (HY) -20000 + (ID) 4750
Total energy: -240680.0 ( -122.61 by residue)
QMean score : 0.520
(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
: