Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNGAVFFVIFLKQATCNTYFKEVKIYHLGEMDMKIVALFPEAVEGQENQLLNTKKA-IGLKTFLEERGHEFIILAD-NGED--LDKHLPDMDVIISAPFYPAYMTRERIEKAPNLKLAITAGVGSDHVDLAAASEHNIGVVEVTGSNTVSVAEHAVMDLLILLRNYEEGHRQSVEGEWNLSQVGNHAHELQHKTIGIFGFGRIGQLVAERLAPFNVTLQHYD----PIN-QQDHKLSKFVSFDELVSSSDAITIHAPLTPETDNLFDKDVLSRMKKHSYLVNTARGKIVNRDALVEALASEHLQGYAGDVWYPQPAPADHPWRTMPRNAMTVHYSGMTLEAQKRIEDGVKDILERFFNHEPFQDKDIIVASGRIASKSYTAK |
2NAD Chain:B ((39-375)) | ----------------------------------------PKAIDFTPGQLLGSVSGELGLRKYLESNGHTLVVTSDKDGPDSVFERELVDADVVISQPFWPAYLTPERIAKAKNLKLALTAGIGSDHVDLQSAIDRNVTVAEVTYCNSISVAEHVVMMILSLVRNYLPSHEWARKGGWNIADCVSHAYDLEAMHVGTVAAGRIGLAVLRRLAPFDVHLHYTDRHRLPESVEKELNLTWHATREDMYPVCDVVTLNCPLHPETEHMINDETLKLFKRGAYIVNTARGKLCDRDAVARALESGRLAGYAGDVWFPQPAPKDHPWRTMPYNGMTPHISGTTLTAQARYAAGTREILECFFEGRPIRDEYLIVQGGALAG------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2NAD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -166502 for 2673 contacts (-62.3/contact) +
2D Compatibility (PS) -35854 + (NN) -19918 + (LL) 4376
1D Compatibility (HY) -27600 + (ID) 7750
Total energy: -253248.0 ( -94.74 by residue)
QMean score : 0.496
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