Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNRSALDFRHFVDHLRRQGDLVDVHTEVDANLEIGAITRRVYERRAPAPLFHNIRDSLPGARVLGAPAGLRADRARAHSRLALHFGLPEHSGPRDIVAMLRAAMRAEPIAPRRLERGPVQENVWLGEQVDLTRFPVPLLHEQDGGRYFGTYGFHVVQTPDGSWDSWSVGRLMLVDRNTLAGPTIPTQHIGIIREQWRRLGKPTPWAMALGAPPAALAAAGMPLPEGVSEAGYVGALVGEPVEVVRTQTNGLWVPANTEIVLEGEISLDETALEGPMGEYHGYSFPIGKPQPLFHVHALSFRDQPILPICVAGTPPEENHTIWGTMISAQLLDVAQNAGLPVDMVWCSYEAATCWAVLSIDVQRLAALGTDAAAFAARVAETVFGSHAGHLVPKLILVGNDIDVTEIDQVVWALATRAHPLHDHFAFPQIRDFPMVPYLDAEDKARGSGGRLVINCLYPEQFAGQMRAATASFRHAYPTALRRRVEERWSDYGFGDA |
4IP2 Chain:A ((23-516)) | MNRSALDFRHFVDHLRRQGDLVDVHTEVDANLEIGAITRRVYERRAPAPLFHNIRDSLPGARVLGAPAGLRADRARAHSRLALHFGLPEHSGPRDIVAMLRAAMRAEPIAPRRLERGPVQENVWLGEQVDLTRFPVPLLHEQDGGRYFGTYGFHVVQTPDGSWDSWSVGRLMLVDRNTLAGPTIPTQHIGIIREQWRRLGKPTPWAMALGAPPAALAAAGMPLPEGVSEAGYVGALVGEPVEVVRTQTNGLWVPANTEIVLEGEISLDETALEGPMGEYHGYSFPIGKPQPLFHVHALSFRDQPILPICVAGTPPEENHTIWGTMISAQLLDVAQNAGLPVDMVWCSYEAATCWAVLSIDVQRLAALGTDAAAFAARVAETVFGSHAGHLVPKLILVGNDIDVTEIDQVVWALATRAHPLHDHFAFPQIRDFPMVPYLDAEDKARGSGGRLVINCLYPEQFAGQMRAATASFRHAYPTALRRRVEERWSDYGFG-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4IP2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -327753 for 4328 contacts (-75.7/contact) +
2D Compatibility (PS) -53900 + (NN) -28496 + (LL) 68
1D Compatibility (HY) -65600 + (ID) 24700
Total energy: -500381.0 ( -115.61 by residue)
QMean score : 0.519
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