Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSIHIEAKQGEIADKILLPGDPLRAKFIAENFLEDAVCFNTVRNMFGYTGTYKGHRVSVMGTGMGMPSISIYARELIVDYGVKTLIRVGTAGAINPDIHVRELVLAQAAATNSNIIRNDWPEFDFPQIADFKLLDKAYHIAKEMDITTHVGSVLSSDVFYSNQPDRNM--ALGKLGVHAIEMEAAALYYLAAQHNVNALAMMTISDNLNNPEEDTSAEERQTTFTDMMKVGLETLISE
1PKE Chain:B ((4-233))
---HINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFTGTYKGRKISVMGHGMGIPSCSIYTKELITDFGVKKIIRVGSCGAVLPHVKLRDVVIGMGACTDSKVNRIRFKDHDFAAIADFDMVRNAVDAAKALGIDARVGNLFSADLFYS--PDGEMFDVMEKYGILGVEMEAAGIYGVAAEFGAKALTICTVSDHIRTHEQ-TTAAERQTTFNDMIKIALESVLLG
General information:
TITO was launched using:
RESULT:
Template:
1PKE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -162107 for 1936 contacts (-83.7/contact) +
2D Compatibility (PS) -24409 + (NN) -5172 + (LL) 348
1D Compatibility (HY) -26400 + (ID) 5750
Total energy: -223490.0 ( -115.44 by residue)
QMean score : 0.520
(partial model without unconserved sides chains):
PDB file :
Tito_1PKE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PKE-query.scw
PDB file :
Tito_Scwrl_1PKE.pdb
: