Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | LKKTVGEVVAMLDSSIHVDAFRDVVITGVCFDTRQIKSGDLFVPFVGNVRDGHEFVGQAREMGAVATFWQKNVPNPPTDFPVILVEDTLLALQELAAKYIQQVKPKVIAITGSNGKT------------TTKDIMAAIVETTYKVHYTGGNFNNHIGLP--YTILTMPEDTEVA---VLEMGMNHRHEIEVLSKIAKPDIAIITNIGEAHIEYLGSREEIAKAKLEITAGLNPSGILIYPHEETLLLGNINGDFRQLTFGKSEAAEIYPLEIRAEAEGTSFITNWEPE--LEIFVPIIGEHNVFNTMAAMLAAREIGIEGEKIQSALKNMERSKSRLEWI--TTKSGARILNDAYNSSPTALKTVLKTFMHMDSSGKPKYLVLADMLELGDLSTKLHQESAEVLENDTIQKVFLYGDAMKAFGEVAESKIGQGKVHHFDTKESLETALLSEIKGNEWILVKGSYGMGLKDVVENLIIK |
4BUB Chain:A ((7-358)) | -------VSNLKDLILEVRAPYDLEITGVSNHSSKVKKGDLFICRR-------EIIPEVMEKGAVAVVVEREI---DLDFPYIQVFDSRYFEAKVASLFFEDPWKDVLTFGVTGTNGKTTTTMMIYHMLTSLGERGSVLTTAVK-RILGNSYYDDITTPDAITILSAMKENREGGGKFFALEVSSHALVQQRVEGVRFDVGIFTNISRDHLDFHGTFENYLKAKLHLFDLLKDDGVAVLNES---LADAFNRKSRKITFGTSKNADYRLGNIEVSWEGTQFVLE-TPDGLLKVFTRAIGDFNAYNAAAAIAALHQLGYDPKDLASSLETFTGVEGRFEVVRGAKKIGLNVVVD-FAHSPDALEKLLKN-------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BUB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -138401 for 2504 contacts (-55.3/contact) +
2D Compatibility (PS) -34591 + (NN) -9209 + (LL) 8668
1D Compatibility (HY) -20400 + (ID) 4400
Total energy: -198333.0 ( -79.21 by residue)
QMean score : 0.414
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