Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNGAVFFVIFLKQATCNTYFKEVKIYHLGEMDMKIVALFPEAVEGQENQLLNTKKA-IGLKTFLEERGHEFIILADN---GEDLDKHLPDMDVIISAPFYPAYMTRERIEKAPNLKLAITAGVGSDHVDLAAASEHNIGVVEVTGSNTVSVAEHAVMDLLILLRNYEEGHRQSVEGEWNLSQVGNHAHELQHKTIGIFGFGRIGQLVAERLAPFNVTL----QHYDPINQQDH-KLSKFVSFDELVSSSDAITIHAPLTPETDNLFDKDVLSRMKKHSYLVNTARGKIVNRDALVEALASEHLQGYAGDVWYPQPAPADHPWRTMPRNAMTVHYSGMTLEAQKRIEDGVKDILERFFNHEPFQDKDIIVASGRIA---SKSYTAK |
4XYE Chain:B ((40-382)) | ----------------------------------------PKHIDFVPGELLGCVSGELGLRSYLEDLGHTFIVTSDKEGPNSVFEKELPDADIVISQPFWPAYLTAERIAKAKKLKLALTAGIGSDHVDLNAAIKAGITVAEETFSNGICVAEHAVMMILALVRNYLPSHKIAEEGGWNIADCVSRSYDLEGMHVGTVAAGRIGLAVLRRLKPFDVKLHYTARHRSPRAIEDELGLTYHATAEEMAEVCDVISIHAPLYPATEHLFNAKVLNKMRHGSYLVNTARAEICDRDDIVRALESGQLAGYAGDVWFPQPAPANHPWRNMPHNGMTPHMSGSSLSGQARYAAGTREILECWFENRPIRDEYLIVSNGKLAGTGAKSY--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4XYE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -164146 for 2718 contacts (-60.4/contact) +
2D Compatibility (PS) -36236 + (NN) -18359 + (LL) 4248
1D Compatibility (HY) -28000 + (ID) 7950
Total energy: -250443.0 ( -92.14 by residue)
QMean score : 0.499
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