Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNEYKFETIQVHGGHTPDGDTHSRAVP-IYQTTSYTFDSPEHAAALFGLQETGNIYTRIMNPTTAVLEERLTLLEGGIGAVATASGMAAITYSILNIAGSGDHIVAAATLYGGTHTLFSHTFKTFGIDVTFVDPNEPENFEKAIKDNTKAVFIETIGNPDINIVDIEKVAKIAHASD-IPLIVDNTFATAYLNRPFDFGADIVVYSATKFIGGHGVAIGGAVIDSGKFNWANGKFPKLVVPDDSYNGLSYTNDVGAAAYITKLRVSLLRD-TGAALSPFNAFLLILGLETLSLRLEQHVKNAKQVANFLNDHPKVAWVNYPGLKDNKYHELAQKYLPKGPGSIFTFGVKGGYEAGKKVIESVELFSHLANVGDAKSLIIHPASTTHQQLSEEQQLTAGVKPESIRLSIGIENADDIIQDLTKALEQI |
1E5E Chain:B ((17-395)) | -----------------PQKDQFGAAIPPIYQTSTFVFDNCQQGGNRFAGQESGYIYTRLGNPTVSNLEGKIAFLEKTEACVATSSGMGAIAATVLTILKAGDHLISDECLYGCTHALFEHALTKFGIQVDFINTAIPGEVKKHMKPNTKIVYFETPANPTLKIIDMERVCKDAHSQEGVLVIADNTFCSPMITNPVDFGVDVVVHSATKYINGHTDVVAGLI-------------------------------CGKADLLQQIRMVGIKDITGSVISPHDAWLITRGLSTLNIRMKAESENAMKVAEYLKSHPAVEKVYYPGFEDHEGHDIAKKQM-RMYGSMITFILKSGFEGAKKLLDNLKLITLAVSLGGCESLIQHPASMTHAVVPKEEREAAGITDGMIRLSVGIEDADELIADFKQGLDAL |
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General information:
TITO was launched using:
| RESULT:
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Template: 1E5E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -234353 for 3372 contacts (-69.5/contact) +
2D Compatibility (PS) -41308 + (NN) -28553 + (LL) 1248
1D Compatibility (HY) -32400 + (ID) 7750
Total energy: -343116.0 ( -101.75 by residue)
QMean score : 0.565
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