Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSIHIEAKQGEIADKILLPGDPLRAKFIAENFLEDAVCFNTVRNMFGYTGTYKGHRVSVMGTGMGMPSISIYARELIVDYGVKTLIRVGTAGAINPDIHVRELVLAQAAATNSNIIRNDWPEFDFPQIADFKLLDKAYHIAKEMDITTHVGSVLSSDVFYSNQPDRNM--ALGKLGVHAIEMEAAALYYLAAQHNVNALAMMTISDNLNNPEEDTSAEERQTTFTDMMKVGLETLISE
1PW7 Chain:B ((5-234))
---HINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFTGTYKGRKISVMGHGMGIPSCSIYTKELITDFGVKKIIRVGSCGAVLPHVKLRDVVIGMGACTDSKVNRIRFKDHDFAAIADFDMVRNAVDAAKALGIDARVGNLFSADLFYS--PDGEMFDVMEKYGILGVEMEAAGIYGVAAEFGAKALTICTVSDHIRTHEQ-TTAAERQTTFNDMIKIALESVLLG
General information:
TITO was launched using:
RESULT:
Template:
1PW7.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -161049 for 1968 contacts (-81.8/contact) +
2D Compatibility (PS) -24500 + (NN) -9074 + (LL) 348
1D Compatibility (HY) -26400 + (ID) 5750
Total energy: -226425.0 ( -115.05 by residue)
QMean score : 0.517
(partial model without unconserved sides chains):
PDB file :
Tito_1PW7.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1PW7-query.scw
PDB file :
Tito_Scwrl_1PW7.pdb
: