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
3NM3 Chain:A ((12-251))
----------LYLVTDSGMIPEGKTLYGQVEAGLQNGVTLVQIREKDA--DTKFFIEEALQIKELC-------HAHNVPLIINDRIDVAMAIGADGIHVGQDDMPIPMIRKLVGPDMVIGWSVGFPEEVDELSKMGPDMVDYIGVGTLFPTLTKKNP----MGTAGAIRVLDALERNNAHWCRTVGIGGLHPDNIERVLYQCVSSNGKRSLDGICVVSDIIASLDAAKSTKILR-------
General information:
TITO was launched using:
RESULT:
Template:
3NM3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -97183 for 1441 contacts (-67.4/contact) +
2D Compatibility (PS) -21743 + (NN) -20736 + (LL) 2260
1D Compatibility (HY) -14400 + (ID) 3450
Total energy: -155252.0 ( -107.74 by residue)
QMean score : 0.516
(partial model without unconserved sides chains):
PDB file :
Tito_3NM3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NM3-query.scw
PDB file :
Tito_Scwrl_3NM3.pdb
: