Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRIISVNVNGIQAAAERGLLSWLQAQNADVICLQDTRASAFDLDDPSFQLDGYFLYACDAELPEQGGVALYSRLQPKAVISGLGFETADRYGRYLQADFDKVSIATLLLPSGQSGDESLNQKFKFMDDFTHYLSKQRRKRREYIYCGSLYVAHQKMDVKNWRECQQMPGFLAPERAWLDEVFGNLGYADALREVSREGDQFSWWPDSEQAEMLNLGWRFDYQVLTPGLRRFVRNAKLPRQPRFSQHAPLIVDYDWQLSI
4JG3 Chain:A ((4-262))
MRIISVNVNGIQAAAERGLLSWLQAQNADVICLQDTRASAFDLDDPSFQLDGYFLYACDAELPEQGGVALYSRLQPKAVISGLGFETADRYGRYLQADFDKVSIATLLLPSGQSGDESLNQKFKFMDDFTHYLSKQRRKRREYIYCGSLYVAHQKMDVKNWRECQQMPGFLAPERAWLDEVFGNLGYADALREVSREGDQFSWWPDSEQAEMLNLGWRFDYQVLTPGLRRFVRNAKLPRQPRFSQHAPLIVDYDWQLSI
General information:
TITO was launched using:
RESULT:
Template:
4JG3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -176652 for 2221 contacts (-79.5/contact) +
2D Compatibility (PS) -28083 + (NN) -15709 + (LL) 0
1D Compatibility (HY) -37200 + (ID) 12950
Total energy: -270594.0 ( -121.83 by residue)
QMean score : 0.566
(partial model without unconserved sides chains):
PDB file :
Tito_4JG3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JG3-query.scw
PDB file :
Tito_Scwrl_4JG3.pdb
: