Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLKTFILIMNMENEKAHITKVKLPIFLDYQSTTKVDPRVLEMMIPYFS-EFSNAHSRSHSFGWAAEEVVEKARRHIADLVNADSKEIIFTSGATESNNMAIKGVAHFYKNK-GDHIITVCTEHKCVLDSCRHLENEGFKVTYLPVKRNGIIDLSKLEEAITDRTILVSVMMVNNEIGVIQPVKEIGAICRRHNVFFHTDAAQSFGKVPVDVNGMNIDLMSLTSHKVYGPMGIGALYVRRKSPR-V----RLTPLISGGGQERGMRSGTVPTPLAVGFGEAARIAKEEMKKEASKLEELRDILYNKIKEAFPDVVLNGDYNNRIPGNLNLSFPYVEGESLIMAIK-DLAVSSGSACTSASLEPSYVIRSLNSGYDLEHSSIRFGLGRFTTKDEILYAADLIAKNVGRLREMSPLWEMVQEGIDLNTVKWDSH |
3VAX Chain:A ((22-379)) | ------------------------TYLDAAATTRVDQRVADIVLHWMTAEFGNAGSR-HEYGIRAKRGVERAREYLASTVSAEPDELIFTSGATESNNIALLGLAPYGERTGRRHIITSAIEHKAVLEPLEHLAGRGFEVDFLTPGPSGRISVEGVMERLRPDTLLVSLMHVNNETGVIQPVAELAQQLRATPTYLHVDAAQGYGKVPGDLTT-PIDMISISGHKIGAPKGVGALVTRRR-EEMDDERVPLEPIMFGGGQERKLRPGTLPVPLIMGLAEAAKIFEAEHAQWQVAAQDLRSRLLAGLAS-T-SFQVNGDQDHVVPHILNLSFEDVDAEAFLVTLKDLVAVATGSASTSASFTPSHVLRAMGLPEEAASKSLRFSWTPG-------------------------------------------- |
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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) -164994 for 2972 contacts (-55.5/contact) +
2D Compatibility (PS) -38222 + (NN) -18419 + (LL) 6144
1D Compatibility (HY) -24400 + (ID) 7350
Total energy: -247241.0 ( -83.19 by residue)
QMean score : 0.489
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