Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHESRLASARLYLCTDARRER--GDLAQFAEAALAGGVDIIQLRDKGSPGELRFGPLQARDELAACEILADAAHRYGALFAVNDRADIARAAGADVLHLGQRDLPVNVARQILAPDTLIGRSTHDPDQVAAAAAGD-ADYFCVGPCWPTPTKPGR--AAPGLGLVRVAAELG----GDDKPWFAIGGINAQRLPAVLD--------AGARRIVVVRAITSADDPRAAAEQLRSALTAAN
3NL6 Chain:A ((6-247))
----EQFDYSLYLVT-SGMIPEGKTLYGQVEAGLQNGVTLVQIREKDADTK---------FFIEEALQIKELCHAHNVPLIINDRIDVAMAIGADGIHVGQDDMPIPMIRKLVGPDMVIGWSVGFPEEVDELSKMGPVDYIGVGTLFPTLT----KKAPMGTAGAIRVLDALERNNAHWCRTVGIGGLHPDNIERVLYQCVSSNGKRSLDGICVVSDIIASLDAAKSTKILRGLIDKTD
General information:
TITO was launched using:
RESULT:
Template:
3NL6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -135381 for 1665 contacts (-81.3/contact) +
2D Compatibility (PS) -23292 + (NN) -21407 + (LL) 740
1D Compatibility (HY) -11600 + (ID) 2850
Total energy: -193790.0 ( -116.39 by residue)
QMean score : 0.550
(partial model without unconserved sides chains):
PDB file :
Tito_3NL6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NL6-query.scw
PDB file :
Tito_Scwrl_3NL6.pdb
: