Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSITLHSQKDFEFMRKAGRLAAETLDFIAPYVKVGVTTNKLNDLCHDFIVKAGAIPAPLNYKGYPKSICTSKNAVVCHGIPDDKPLKDGDILNIDVTVILNGWYGDTSRMFWAGKPSIKAKRLCDATYVALMEAIKQVKPGNKLNEIGLAVEKYIRDFGYSIVRSYCGHGIGKVFHAPPNVVHFYDQGESLVLKEGMFFTIEPMINAGKHETLLSRLDNWTVTTRDLSLSAQFEHTLGVTEDGVEIFTLSPKNWHFPPYN
3MR1 Chain:B ((6-252))
--IKIHTEKDFIKMRAAGKLAAETLDFITDHVKPNVTTNSLNDLCHNFITSHNAIPAPLNYKGFPKSICTSINHVVCHGIPNDKPLKNGDIVNIDVTVILDGWYGDTSRMYYVGDVAIKPKRLIQVTYDAMMKGIEVVRPGAKLGDIGYAIQSYAEKHNYSVVRDYTGHGIGRVFHDKPSILNYGRNGTGLTLKEGMFFTVEPMINAGNYDTILSKLDGWTVTTRDKSLSAQFEHTIGVTKDGFEIFTL-----------
General information:
TITO was launched using:
RESULT:
Template:
3MR1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -156298 for 2150 contacts (-72.7/contact) +
2D Compatibility (PS) -26989 + (NN) -13096 + (LL) 60
1D Compatibility (HY) -28400 + (ID) 8200
Total energy: -232923.0 ( -108.34 by residue)
QMean score : 0.461
(partial model without unconserved sides chains):
PDB file :
Tito_3MR1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MR1-query.scw
PDB file :
Tito_Scwrl_3MR1.pdb
: