Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKT---IFAFLTGLMMFGTITAASASPDSKNQTAKKPKVQTGIDT---LLPDYKKQLKGKRI-----GLITNPAGVNTSLK---------SSVDILYENPDIKLTALFGPEHGVRGDAQAGDEVGSYID----------EKTGVPVYSLYG----KTKKPTPEMLKNVDILMFDIQDVGTRFYTYIYTMAYAMEAAKENG--IPFMVLDRPNPQGGNHIEGPILE-PEYASFVGLY---PIPLKHGMTIGELAS-----LFNKEFSIDADLTVVKMKHW--------KRKMDFDDTRLPF----VLPSPNMPTVESTFVYPATGLIEGTNISEGRGTTKPFELIGAPFIKSTEL------EETLNSLHLPGVTFRAASFTPTFSKHQGTLCHGVQLY-----VTDRDKFEAVKTGLSVIKTIHDLYPE----------DFEFLSTGSFDKLAGNGWIRTKIENG--TSVENIINSYEKTLQQFSKTRKKYLIY |
4IWS Chain:A ((23-515)) | MNRSALDFRHFVDHLRRQGDLVDVHTEVDANLEIGAITRRVYERRAPAPLFHNIRDSLPGARVLGAPAGLRADRARAHSRLALHFGLPEHSGPRDIVAMLRAAMRAEPIAPRRLERGPVQENVWLGEQVDLTRFPVPLLHEQDGGRYFGTYGFHVVQTPDGSWDSWSVGRLMLVDRNTLAGPTIPTQ-HIGIIREQWRRLGKPTPWAMALGAPPAALAAAGMPLPEGVSEAGYVGALVGEPVEVVRTQTNGLWVPANTEIVLEGEISLDETALEGPMGEYHGYSFPIGKPQPLFHVHALSFRDQPILPICVAGTPPEENHTIWGTMISAQLLDVAQNAGLPVDMVWCSYEAATCWAVLSIDVQRLAALGTDAAAFAARVAETVFGSHAGHLVPKLILVGNDIDVTEIDQVVWALATRAHPLHDHFAFPQIRDFPMVPYLDAEDKARGSGGRLVINCLYPEQFAGQMRAATASFRHAYPTALRRRVEERWSDYGF |
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General information:
TITO was launched using:
| RESULT:
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Template: 4IWS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -32739 for 3045 contacts (-10.8/contact) +
2D Compatibility (PS) -42168 + (NN) -755 + (LL) 92
1D Compatibility (HY) -7200 + (ID) 3800
Total energy: -86570.0 ( -28.43 by residue)
QMean score : 0.205
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