Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MLQRIYLDNNATTRIDPKVKEIMDPFLRDHYGNPSSLHQFGTETHPAIAEALDKLYKGINARDIDDVIITSCATESNNWVLKGVY-FDECLKKGKNHIITTVAEHPAVRSTCNFLESLGVEVTYLPINEHGSITADQVKEAITEKTALVSVMWANNETGLIFPIEEIGAICKEKGVLFHTDAVQAIGKIPVDVLKANVDFLSFSAHKFHGPKGIGGLYIR-------SGVGLTPLFHGGEHMNGRRSGTLNVPYIVGMGEAMKL-AVEHLDYEKEVVGKLRDKLEEALLKIPDVMVVGDRVHRVPNTTLISVRGIEGEAMLWDLNRSNIAASTGSACASEDLEANPVMVAIGASKELAHTAIRLSLSRFNTEAEIDKTIEVFSQAAVRLRNISSSY |
| 3VAX Chain:A ((23-379)) | -----YLDAAATTRVDQRVADIVLHWMTAEFGNAGSRHEYGIRAKRGVERAREYLASTVSA-EPDELIFTSGATESNNIALLGLAPYGE--RTGRRHIITSAIEHKAVLEPLEHLAGRGFEVDFLTPGPSGRISVEGVMERLRPDTLLVSLMHVNNETGVIQPVAELAQQLRATPTYLHVDAAQGYGKVPGD-LTTPIDMISISGHKIGAPKGVGALVTRRREEMDDERVPLEPIMFGGGQERKLRPGTLPVPLIMGLAEAAKIFEAEHAQWQV-AAQDLRSRLLAGLAST-SFQVNGDQDHVVPHILNLSFEDVDAEAFLVTL-KDLVAVATGSASTSASFTPSHVLRAMGLPEEAASKSLRFS---WTPG------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VAX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -174989 for 2989 contacts (-58.5/contact) +
2D Compatibility (PS) -37745 + (NN) -13357 + (LL) 3668
1D Compatibility (HY) -21600 + (ID) 6400
Total energy: -250423.0 ( -83.78 by residue)
QMean score : 0.447
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