Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNEYKFETIQVHGGHTPDGDTHSRAVPIYQTTSYTFDSPEHAAALFGLQETGNIYTRIMNPTTAVLEERLTLLEGGIGAVATASGMAAITYSILNIAGSGDHIVAAATLYGGTHTLFSHTFKTFGIDVTFVDPNEPENFEKAIKDNTKAVFIETIGNPDINIVDIEKVAKIAHASDIPLIVDNTFATAYLNRPFDFGADIVVYSATKFIGGHGVAIGGAVIDSGKFNWANGKFPKLVVPDDSYNGLSYTNDVGAAAYITKLRVSLLRD-TGAALSPFNAFLLILGLETLSLRLEQHVKNAKQVANFLNDHPKVAWVNYPGLKDNKYHELAQKYLPKGPGSIFTFGVKGGYEAGKKVIESVELFSHLANVGDAKSLIIHPASTTHQQLSEEQQLTAGVKPESIRLSIGIENADDIIQDLTKALEQI |
3JW9 Chain:A ((4-395)) | -CRTYGFNTQIVHAGQQPDPSTGALSTPIFQTSTFVFDSAEQGAARFALEESGYIYTRLGNPTTDALEKKLAVLERGEAGLATASGISAITTTLLTLCQQGDHIVSASAIYGCTHAFLSHSMPKFGINVSFVDAAKPEEIRAAMRPETKVVYIETPANPTLSLVDIETVAGIAHQQGALLVVDNTFMSPYCQQPLQLGADIVVHSVTKYINGHGDVIGGII-------------------------------VGKQEFIDQARFVGLKDITGGCMSPFNAWLTLRGVKTLGIRMERHCENALKIARFLEGHPSITRVYYPGLSSHPQYELGQRQMSL-PGGIISFEIAGGLEAGRRMINSVELCLLAVSLGDTETLIQHPASMTHSPVAPEERLKAGITDGLIRLSVGLEDPEDIINDLEHAIRK- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3JW9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -241083 for 3508 contacts (-68.7/contact) +
2D Compatibility (PS) -43079 + (NN) -28692 + (LL) 668
1D Compatibility (HY) -35200 + (ID) 9200
Total energy: -356586.0 ( -101.65 by residue)
QMean score : 0.619
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