Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLQRIYLDNNATTRIDPKVKEIMDPFLRDHYGNPSSLHQFGTETHPAIAEALDKLYKGINARDIDDVIITSCATESNNWVLKGVYFDECLKKGK-NHIITTVAEHPAVRSTCNFLESLGVEVTYLPINEHGSITADQVKEAITEKTALVSVMWANNETGLIFPIEEIGAICKEKGVLFHTDAVQAIGKIPVDVLKANVDFLSFSAHKFHGPKGIGGLYIRSGVG-------LTPLFHGGEHMNGRRSGTLNVPYIVGMGEAMKLAVEHLDYEKEVVGKLRDKLEEALLKIPDVMVVGDRVHRVPNTTLISVRGIEGEAMLWDLNRSNIAASTGSACASEDLEANPVMVAIGASKELAHTAIRLSLSRFNTEAEIDKTIEVFSQAAVRLRNISSSY |
3VAX Chain:A ((22-379)) | ----TYLDAAATTRVDQRVADIVLHWMTAEFGNAGSRHEYGIRAKRGVERAREYLASTVSA-EPDELIFTSGATESNNIALLGLAPYGE--RTGRRHIITSAIEHKAVLEPLEHLAGRGFEVDFLTPGPSGRISVEGVMERLRPDTLLVSLMHVNNETGVIQPVAELAQQLRATPTYLHVDAAQGYGKVPGDLTT-PIDMISISGHKIGAPKGVGALVTRRREEMDDERVPLEPIMFGGGQERKLRPGTLPVPLIMGLAEAAKIFEAEHAQWQVAAQDLRSRLLAGLAST-SFQVNGDQDHVVPHILNLSFEDVDAEAFLVTLK-DLVAVATGSASTSASFTPSHVLRAMGLPEEAASKSLRFSWTPG--------------------------- |
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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) -186628 for 2974 contacts (-62.8/contact) +
2D Compatibility (PS) -37747 + (NN) -12915 + (LL) 3328
1D Compatibility (HY) -17600 + (ID) 6100
Total energy: -257662.0 ( -86.64 by residue)
QMean score : 0.438
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