Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNEYKFETIQVHGGHTPDGDTHSRAVPIYQTTSYTFDSPEHAAALFGLQETGNIYTRIMNPTTAVLEERLTLLEGGIGAVATASGMAAITYSILNIAGSGDHIVAAATLYGGTHTLFSHTFKTFGIDVTFVDPNEPENFEKAIKDNTKAVFIETIGNPDINIVDIEKVAKIAHASDIPLIVDNTFATAYLNRPFDFGADIVVYSATKFIGGHGVAIGGAVIDSGKFNWANGKFPKLVVPDDSYNGLSYTNDVGAAAYITKLRVSLLRD-TGAALSPFNAFLLILGLETLSLRLEQHVKNAKQVANFLNDHPKVAWVNYPGLKDNKYHELAQKYLPKGPGSIFTFGVKGGYEAGKKVIESVELFSHLANVGDAKSLIIHPASTTHQQLSEEQQLTAGVKPESIRLSIGIENADDIIQDLTKALEQI |
3JWA Chain:A ((7-395)) | ----YGFNTQIVHAGQQPDPSTGALSTPIFQTSTFVFDSAEQGAARFALEESGYIYTRLGNPTTDALEKKLAVLERGEAGLATASGISAITTTLLTLCQQGDHIVSASAIYGCTHAFLSHSMPKFGINVSFVDAAKPEEIRAAMRPETKVVYIETPANPTLSLVDIETVAGIAHQQGALLVVDNTFMSPYCQQPLQLGADIVVHSVTKYINGHGDVIGGII-------------------------------VGKQEFIDQARFVGLKDITGGCMSPFNAWLTLRGVKTLGIRMERHCENALKIARFLEGHPSITRVYYPGLSSHPQYELGQRQMSL-PGGIISFEIAGGLEAGRRMINSVELCLLAVSLGDTETLIQHPASMTHSPVAPEERLKAGITDGLIRLSVGLEDPEDIINDLEHAIRK- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3JWA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -238962 for 3473 contacts (-68.8/contact) +
2D Compatibility (PS) -42664 + (NN) -27884 + (LL) 664
1D Compatibility (HY) -35200 + (ID) 9200
Total energy: -353246.0 ( -101.71 by residue)
QMean score : 0.612
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