Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQNKRVVITGMGALSPIGNDVKTTWENALKGVNGIDKITRIDTEPYSVHLAG----------ELKNFNIEDHIDKKEARRMDRFTQYAIVAAREAVKDA-QLDINDNTADRIGVWIGSGIGGMETFEIAHKQLMDKGPRRVSPFFVPMLIPDMATGQVSIDLGAKGPNGATVTACATGTNSIGEAFKIVQRGDADAMITGGTEAPITHMAIAGFSASRALST--NDDIETACRPFQEGRDGFVMGEGAGILVIESLESAQARGANIYAEIVGYGTTGDAYHITAPAPEGEGGSRAMQAAMDDAGIEPKDVQYLNAHGTSTPVGDLNEVKAIKNTFGEAAKHLKVSSTKSMTGHLLGATGGIEAIFSALSIKDSKVAPTIHAVTPDPECDLDIVPNEAQDLDITYAMSNSLGFGGHNAVLVFKKFEA |
4JGA Chain:A ((15-432)) | ---NKRVVITGLGLVTPVGLNVNSSWKNIVDGVSGIKTITEFDTSKLACKIAGLIDNSEKDGFKLENFTQADDINR--LSKMDKFIHYGVAAATEAVEDSGWLPDDEKSRDRTGLILGSGIGGLKMIEDTSIKLYQENNGKVSPFFIPASLINLLSGLVSIKYGFSGPNQTAVTACSTGAHAIGDAMRMIKHGYADVMIAGGAEAPVTPVGVAGFVAARALCTKYNDNPKKASRPWDKDRSGFVMGEGAGVVVLEEYEHALNRGAKVYGEVIGYGSTGDAYHMTAPHPEGRGAYRAMRDAMLDATITPDMIDYINAHGTSTTLGDGIELAAVQKLFLEANPKVLMSSTKSSIGHLLGAAGSVEFIFSALAIRDQIAPPTLNLDTPMDEVNIDLVALKAKKTKIDYVLSNSFGFGGTNASLVIK---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4JGA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -161102 for 4043 contacts (-39.8/contact) +
2D Compatibility (PS) -43061 + (NN) -14948 + (LL) 912
1D Compatibility (HY) -35200 + (ID) 9950
Total energy: -263349.0 ( -65.14 by residue)
QMean score : 0.513
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