Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
VENTIVIKLGGVA--SDNLTEGFFRQITEWQAANKK-IVLVHGGGHYITKMMEALAIPVETKNGLRVTNKATLEVTKMVLIGQVQPAITTAFQKRNISVIGLNASDTGLLEADRLSDTDLGLVGKITKVKTNLIEQLLSENIITVIAPLGINSEHDWLNVNADTAACEVASALHAEALYLLTDVPGVKNGS-EIIGEIATAEIEKLQSTGVIKGGMIPKLASAAFAAENGVGQVIITDSLNNSGTKIKNKVAIG
1OHB Chain:A ((3-226))
--NPLIIKLGGVLLDSEEALERLFSALVNYRESHQRPLVIVHGGGCVVDELMKGLNLPVKKKNGLRVTPADQIDIITGALAGTANKTLLAWAKKHQIAAVGLFLGDGDSVKVTQL-DEELGHVGLAQPGSPKLINSLLENGYLPVVSSIGVTDEGQLMNVNADQAATALAATLGAD-LILLSDVSGILDGKGQRIAEMTAAKAEQLIEQGIITDGMIVKVNAALDAAR--------------------------
General information:
TITO was launched using:
RESULT:
Template:
1OHB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -149650 for 1812 contacts (-82.6/contact) +
2D Compatibility (PS) -24348 + (NN) -7552 + (LL) 1400
1D Compatibility (HY) -18800 + (ID) 3900
Total energy: -202850.0 ( -111.95 by residue)
QMean score : 0.496
(partial model without unconserved sides chains):
PDB file :
Tito_1OHB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1OHB-query.scw
PDB file :
Tito_Scwrl_1OHB.pdb
: