Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRIISVNVNGIQAAAERGLLSWLQAQNADVICLQDTRASAFDLDDPSFQLDGYFLYACDAELPEQGGVALYSRLQPKAVISGLGFETADRYGRYLQADFDKVSIATLLLPSGQSGDESLNQKFKFMDDFTHYLSKQRRKRREYIYCGSLYVAHQKMDVKNWRECQQMPGFLAPERAWLDEVFGNLGYADALREVSREGDQFSWWPDSEQAEMLNLGWRFDYQVLTPGLRRFVRNAKLPRQPRFSQHAPLIVDYDWQLSI
4B5G Chain:A ((2-256))
LKIISANVNGIRSAYKKGFYEYIAASGADIVCVQELKAQEADLSADMKNPHGMHGHWHCAEKRGYSGVAVYSKRKPDNVQIGMGIEEFDREGRFVRCDFGRLSVISLYLPSGSSAEERQQVKYRFLDAFYPMLEAMKNEGRDIVVCGDWNIAHQNIDLKNWKGNQKNSGFLPEEREWIGKVIHKLGWTDMWRTLYPDVPGYTWWSNRGQAYAKDVGWRIDYQMVTPELAAKAVSAHVYKDEKFSDHAPLVVEYDY----
General information:
TITO was launched using:
RESULT:
Template:
4B5G.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -153889 for 2166 contacts (-71.0/contact) +
2D Compatibility (PS) -27196 + (NN) -11243 + (LL) 472
1D Compatibility (HY) -20400 + (ID) 4750
Total energy: -217006.0 ( -100.19 by residue)
QMean score : 0.528
(partial model without unconserved sides chains):
PDB file :
Tito_4B5G.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4B5G-query.scw
PDB file :
Tito_Scwrl_4B5G.pdb
: