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:D ((25-273))
VGKTLVIKYGGNAMESEELKAGFARDVVLMKAVGINPVVVHGGGPQIGDLLKRLSIESHFIDGMRVTDAATMDVVEMVLGGQVNKDIVNLINRHGGSAIGLTGKDAELIRAKKLTVTRQTKPEIIDIGHVGEVTGVNVGLLNMLVKGDFIPVIAPIGVGSNGESYNINADLVAGKVAEALKAEKLMLLTNIAGLMDKQGQVLTG-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) -176383 for 1928 contacts (-91.5/contact) +
2D Compatibility (PS) -25872 + (NN) -6399 + (LL) 628
1D Compatibility (HY) -20000 + (ID) 4750
Total energy: -232776.0 ( -120.73 by residue)
QMean score : 0.552
(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
: