Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKDTLKLYFVCGTVDCSRKNILTVVEEALQAGITLFQFREKGFTALQGKEKIAMAKQLQILCKQYQVPFIIDDDIDLVELIDADGLHIGQNDLPVDEARRRL-PDKIIGLSVS---TMAEYQKSQLSVVDYIGIGPFNPTQSKADAKPAVGNRTTKAVREIN-------QDIPIVAIGGITSDFVHDII--------ESGADGIAVISAISKANHIVDATRQLRYEVEKALVNRQKRSDVIK
3NL2 Chain:A ((25-231))
------------------KTLYGQVEAGLQNGVTLVQIREKDADT---KFFIEEALQIKELCHAHNVPLIINDRIDVAMAIGADGIHVGQDDMPIPMIRKLVGPDMVIGWSVGFPEEVDELSKMGPDMVDYIGVGTLFPT----------MG-TAGAIRVLDALERNNAHWCRTVGIGGLHPDNIERVLYQCVSSNGKRSLDGICVVSDIIASLDAAKSTKILRGLIDKTDYKFVNIGLSTK
General information:
TITO was launched using:
RESULT:
Template:
3NL2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122744 for 1327 contacts (-92.5/contact) +
2D Compatibility (PS) -20212 + (NN) -13722 + (LL) 2112
1D Compatibility (HY) -15200 + (ID) 3450
Total energy: -173216.0 ( -130.53 by residue)
QMean score : 0.651
(partial model without unconserved sides chains):
PDB file :
Tito_3NL2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NL2-query.scw
PDB file :
Tito_Scwrl_3NL2.pdb
: