Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLKTFILIMNMENEKAHITKVKLPIFLDYQSTTKVDPRVLEMMIPYFS-EFSNAHSRSHSFGWAAEEVVEKARRHIADLVNADSKEIIFTSGATESNNMAIKGVAHFYKNKGD-HIITVCTEHKCVLDSCRHLENEGFKVTYLPVKRNGIIDLSKLEEAITDRTILVSVMMVNNEIGVIQPVKEIGAICRRHNVFFHTDAAQSFGKVPVDVNGMNIDLMSLTSHKVYGPMGIGALYVRRK----SPRVRLTPLISGGGQERGMRSGTVPTPLAVGFGEAARIAKEEMKKEASKLEELRDILYNKIKEAFPDVVLNGDYNNRIPGNLNLSFPYVEGESLIMAIKDL-AVSSGSACTSASLEPSYVIRSLNSGYDLEHSSIRFGLGRFTTKDEILYAADLIAKNVGRLREMSPLWEMVQEGIDLNTVKWDSH |
3VAX Chain:A ((23-374)) | -------------------------YLDAAATTRVDQRVADIVLHWMTAEFGNAGSR-HEYGIRAKRGVERAREYLASTVSAEPDELIFTSGATESNNIALLGLAPYGERTGRRHIITSAIEHKAVLEPLEHLAGRGFEVDFLTPGPSGRISVEGVMERLRPDTLLVSLMHVNNETGVIQPVAELAQQLRATPTYLHVDAAQGYGKVPGDLT-TPIDMISISGHKIGAPKGVGALVTRRREEMDDERVPLEPIMFGGGQERKLRPGTLPVPLIMGLAEAAKIFEAEHAQWQVAAQDLRSRLLAGL--ASTSFQVNGDQDHVVPHILNLSFEDVDAEAFLVTLKDLVAVATGSASTSASFTPSHVLRAMGLPEEAASKSLRFSWTPG-------------------------------------------- |
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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) -170969 for 2916 contacts (-58.6/contact) +
2D Compatibility (PS) -37739 + (NN) -18096 + (LL) 6064
1D Compatibility (HY) -25200 + (ID) 7650
Total energy: -253590.0 ( -86.97 by residue)
QMean score : 0.491
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