Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHESRLASARLYLCTDARR--ERGDLAQFAEAALAGGVDIIQLRDKGSPGELRFGPLQARDELAACEILADAAHRYGALFAVNDRADIARAAGADVLHLGQRDLPVNVARQILAPDTLIGRSTHDP---DQVAAAAAGDADYFCVGPCWPTPTK--PGRAAPGL-GLVRVAAELGGDDKPW---FAIGGINAQRLPAVL----DAGARR----IVVVRAITSADDPRAAAEQLRSALTAAN
3NL3 Chain:C ((12-254))
----------LYLVTDSGMIPEGKTLYGQVEAGLQNGVTLVQIREKDA--DTKFFIEEALQIKELC-------HAHNVPLIINDRIDVAMAIGADGIHVGQDDMPIPMIRKLVGPDMVIGWSVGFPEEVDELSKMGPDMVDYIGVGTLFPTLTKKNP-----GTAGAIRVLDALERNNAHWCRTVGIGGLHPDNIERVLYQCVSSNGKRSLDGICVVSDIIASLDAAKSTKILR-------
General information:
TITO was launched using:
RESULT:
Template:
3NL3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101527 for 1424 contacts (-71.3/contact) +
2D Compatibility (PS) -21582 + (NN) -20398 + (LL) 2120
1D Compatibility (HY) -14400 + (ID) 3450
Total energy: -159237.0 ( -111.82 by residue)
QMean score : 0.487
(partial model without unconserved sides chains):
PDB file :
Tito_3NL3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NL3-query.scw
PDB file :
Tito_Scwrl_3NL3.pdb
: