Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNEYKFETIQVHGGHTPDGDTHSRAVPIYQTTSYTFDSPEHAAALFGLQETGNIYTRIMNPTTAVLEERLTLLEGGIGAVATASGMAAITYSILNIAGSGDHIVAAATLYGGTHTLFSHTFKTFGIDVTFVDPNEPENFEKAIKDNTKAVFIETIGNPDINIVDIEKVAKIAHASDIPLIVDNTFATAYLNRPFDFGADIVVYSATKFIGGHGVAIGGAVIDSGKFNWANGKFPKLVVPDDSYNGLSYTNDVGAAAYITKLRVSLLRD-TGAALSPFNAFLLILGLETLSLRLEQHVKNAKQVANFLNDHPKVAWVNYPGLKDNKYHELAQKYLPKGPGSIFTFGVKGGYEAGKKVIESVELFSHLANVGDAKSLIIHPASTTHQQLSEEQQLTAGVKPESIRLSIGIENADDIIQDLTKALEQI |
3JWB Chain:A ((7-395)) | ----YGFNTQIVHAGQQPDPSTGALSTPIFQTSTFVFDSAEQGAARFALEESGYIYTRLGNPTTDALEKKLAVLERGEAGLATASGISAITTTLLTLCQQGDHIVSASAIYGCTHAFLSHSMPKFGINVSFVDAAKPEEIRAAMRPETKVVYIETPANPTLSLVDIETVAGIAHQQGALLVVDNTFMSPYCQQPLQLGADIVVHSVTKYINGHGDVIGGII-------------------------------VGKQEFIDQARFVGLKDITGGCMSPFNAWLTLRGVKTLGIRMERHCENALKIARFLEGHPSITRVYYPGLSSHPQYELGQRQMSL-PGGIISFEIAGGLEAGRRMINSVELCLLAVSLGDTETLIQHPASMTHSPVAPEERLKAGITDGLIRLSVGLEDPEDIINDLEHAIRK- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3JWB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -245816 for 3460 contacts (-71.0/contact) +
2D Compatibility (PS) -42633 + (NN) -27972 + (LL) 664
1D Compatibility (HY) -35200 + (ID) 9200
Total energy: -360157.0 ( -104.09 by residue)
QMean score : 0.617
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