Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSVKPSWGPGPSEGVTAVPTSDLGEIHNWTELLDLFNHTLSECHVELSQSTKRVVLFALYLAMFVVGLVENLLVICVNWRGSGRAGLMNL--YILN--MAIADLGIVLSLPVWMLE-VTLDYTWLWGSFSCRFTHYFYFVNMYSSIFFLVCLSVDRYVTLTSASPSWQRYQHRVRRAMCAGIWVLSAIIPLPEVVHIQLV----EGPEPMCLFMAPFETYSTWALAVALSTTILGFLLPFPLITVFNVLTACRLR---QPGQPKS-RRHCLLLCAYVAVFVMCWLPYHVTLLLLTLHGTHISLHCHLVHLLYFFYDVIDCFSMLHCVINPILYNFLSPHFRGRLLNAVVHYLPKDQTKAGTCASSSSCSTQHSIIITKGDSQPAAAAPHPEPSLSFQAHHLLPNTSPISPTQPLTPS |
4BWB Chain:A ((18-321)) | ---------------------------------------------------SKVLVTAIYLALFVVGTVGNGVTLFTLA-----QSLQSRVDYYLGSLALSDLLILLFALPVDLYNFIWVHHPWAFGDAGCKGYYFLREACTYATALNVVSLSVELYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAIPMLFTMGLQNLSGDGTHPGGLVCTPIVDTATLRVVIQLNT-FMSFLFPMLVASILNTVAARRLTVMVEPGRVQALRRGVLVLRAVVIAFVVCWLPYHVRRLMF-VYISDEQWTTALFDFYHYFYMLSNALVYVSAAINPILYNLVSANFRQVFLSTLACLC----------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BWB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -287738 for 1980 contacts (-145.3/contact) +
2D Compatibility (PS) -27868 + (NN) -9242 + (LL) 4848
1D Compatibility (HY) -28400 + (ID) 3950
Total energy: -352350.0 ( -177.95 by residue)
QMean score : 0.225
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