Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIELKGVNFKYKNTKNSCLDNIDLEIKKGEFVLISGASGSGKTSITRVINKLIPYYYEGELEGTVKINNDLVSSYQMFELSEIVGSVFQNPRTQFFNVDTNSEIVFGLENQGVSRDILKKRLKETCETLDINKLQNRNIFHLSGGEKQKIAFASVYAMNPDIYLLDEPSSNLDIPTIEVLKRHLSVLKNSGKTVIISEHRIYYLMDLVDKVIYMKNGQIQKSYSKEDFLNLSEDEIKAMALRCRKKTKLNIEMSNNEKHPYLQVNDFSIYRKDNCIINNMNFSANKGDIVAVIGSNGVGKTTFLRTLCGLHDNYKGDVL-----LNSKKTDAKKRRQKNYMVMQDVNYQLFAE-SVFAECKLGIENV-------SDDLIEEILNEFDLSDYKNNHPNTLSGGQKQRLAIAVGLICKKEIFVLDEPTSGLDYTNMVKTVELLKRYSKDKI-IFIATHDTEFANLICNRVLDLEK |
3C4J Chain:A ((39-230)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQ--RFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDG |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C4J.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -114466 for 1355 contacts (-84.5/contact) +
2D Compatibility (PS) -18945 + (NN) -7474 + (LL) 18276
1D Compatibility (HY) -15600 + (ID) 3100
Total energy: -141309.0 ( -104.29 by residue)
QMean score : 0.521
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