Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLEQLQTLKSEAETQINEASDLKTLNDLRVKYLGKKGPMTEIMKQMGK-LSAEERPKMGSLANEVRTALTEAISSKQQILETEAINEKLKSETIDVTLPGTAPSIGTKHLLTQVIEEMEDMFIGMGYEIAEGPEVELDYYNFEALNLPKDHPARDMQDSFYITENTLLRTQTSPVQARTMEKHDFSKGPIKVICPGKVYRRDNDDATHSHQFTQIEGLVVGENITF-----------------------------------ADLKGTLTVLAKTMFGEEREIRLRPSFFPFTEPSVEMDISCFKCGGKGCRVCKGTGWIEILGSGMVHPNVLEMSGIDSTRYSGFAFGLGPERVAMLKYAVDDIRHLYTNDLRFTKQFQSTETGEI---------------------------------------------------------------------------------------------------- |
3CMQ Chain:A ((11-415)) | ------------------PGSVVELLGKSYPQDDHSNLTRKVLTRVGRNLHNQQHHPLWLIKERVKEHFYKQYVGRFG-----------------------TPLFSVYDNLSPVVTTWQN---------------------FDSLLIPADHPSRKKGDNYYLNRTHMLRAHTSAHQWDLLHA-----GLDAFLVVGDVYRRDQIDSQHYPIFHQLEAVRLFSKHELFAGIKDGESLQLFEQSSRSAHKQETHTMEAVKLVEFDLKQTLTRLMAHLFGDELEIRWVDCYFPFTHPSFEMEINF------------HGEWLEVLGCGVMEQQLVNSAGAQD--RIGWAFGLGLERLAMILYDIPDIRLFWCEDERFLKQFCVSNINQKVKFQPLSKYPAVINDISFWLPSENYAENDFYDLVRTIGGDLVEKVDLIDKFVHPKTHKTSHCYRITYRHMERTLSQREVRHIHQALQEAAVQLLGVEGRF |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CMQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -64407 for 2065 contacts (-31.2/contact) +
2D Compatibility (PS) -27880 + (NN) -6275 + (LL) 5556
1D Compatibility (HY) -22000 + (ID) 4050
Total energy: -119056.0 ( -57.65 by residue)
QMean score : 0.342
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